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\n  \n 2016\n \n \n (160)\n \n \n
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\n \n\n \n \n \n \n \n \n Fast quantitative analysis of ginsenosides in Asian ginseng (Panax ginseng C. A. Mayer) by using solid-phase methylation coupled to direct analysis in real time: Fast quantitative analysis of ginsenosides in Asian ginseng.\n \n \n \n \n\n\n \n Liu, W.; He, Y.; Li, L.; and Liu, S.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 30: 111–115. August 2016.\n \n\n\n\n
\n\n\n\n \n \n \"FastPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{liu_fast_2016,\n\ttitle = {Fast quantitative analysis of ginsenosides in {Asian} ginseng ({Panax} ginseng {C}. {A}. {Mayer}) by using solid-phase methylation coupled to direct analysis in real time: {Fast} quantitative analysis of ginsenosides in {Asian} ginseng},\n\tvolume = {30},\n\tissn = {09514198},\n\tshorttitle = {Fast quantitative analysis of ginsenosides in {Asian} ginseng ( \\textit{{Panax} ginseng} {C}. {A}. {Mayer}) by using solid-phase methylation coupled to direct analysis in real time},\n\turl = {http://doi.wiley.com/10.1002/rcm.7627},\n\tdoi = {10.1002/rcm.7627},\n\tabstract = {Rational: A fast quantitative method for ginsenosides is essential to minimize analysis time; direct analysis in real time mass spectrometry (DART-MS) has the potential to be used for this purpose. Methods: However, in order to produce ginsenosides, a derivatization such as methylation is required because the strong polarity of ginsenosides makes it difficult to desorp and ionize them in DART-MS. The main objectives of this study were to achieve fast detection and quantitative analysis of ginsenosides by using DART-MS; solid-phase methylation of ginsenosides has been accomplished in a reaction column; methylated products of ginsenosides Rb1, Rd, Re, Rf and Rg1 were analyzed by applying DART-MS where samples could be detected after methylation without the need for further purification. For quantitative analysis, deuterated methylated ginsenosides were prepared by using the solid-phase methylation method and used as internal standards to improve repeatability in DART-MS. Results: Methylated ginsenosides produced protonated molecules [M + H]+ and fragment ions in DART-MS. Two pairs of ginsenoside isomers, Rd/Re (C48H82O18, MW 946) and Rf/Rg1(C42H72O14, MW 800), could be discriminated based on their characteristic fragments in tandem mass spectrometry. By using deuterated methylated ginsenosides as internal standards, fast quantitative analysis of ginsenosides Rb1, Re and Rg1 in Asian ginseng was achieved by DART-MS. Conclusions: DART-MS is a feasible technique for fast quantitative analysis of ginsenosides by assisted methylation and the deuterated internal standard technique.},\n\tlanguage = {en},\n\turldate = {2016-09-13},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Liu, Wenlong and He, Yangfang and Li, Lele and Liu, Shuying},\n\tmonth = aug,\n\tyear = {2016},\n\tpages = {111--115},\n}\n\n\n\n
\n
\n\n\n
\n Rational: A fast quantitative method for ginsenosides is essential to minimize analysis time; direct analysis in real time mass spectrometry (DART-MS) has the potential to be used for this purpose. Methods: However, in order to produce ginsenosides, a derivatization such as methylation is required because the strong polarity of ginsenosides makes it difficult to desorp and ionize them in DART-MS. The main objectives of this study were to achieve fast detection and quantitative analysis of ginsenosides by using DART-MS; solid-phase methylation of ginsenosides has been accomplished in a reaction column; methylated products of ginsenosides Rb1, Rd, Re, Rf and Rg1 were analyzed by applying DART-MS where samples could be detected after methylation without the need for further purification. For quantitative analysis, deuterated methylated ginsenosides were prepared by using the solid-phase methylation method and used as internal standards to improve repeatability in DART-MS. Results: Methylated ginsenosides produced protonated molecules [M + H]+ and fragment ions in DART-MS. Two pairs of ginsenoside isomers, Rd/Re (C48H82O18, MW 946) and Rf/Rg1(C42H72O14, MW 800), could be discriminated based on their characteristic fragments in tandem mass spectrometry. By using deuterated methylated ginsenosides as internal standards, fast quantitative analysis of ginsenosides Rb1, Re and Rg1 in Asian ginseng was achieved by DART-MS. Conclusions: DART-MS is a feasible technique for fast quantitative analysis of ginsenosides by assisted methylation and the deuterated internal standard technique.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Analytical Strategies for Doping Control Purposes: Needs, Challenges, and Perspectives.\n \n \n \n \n\n\n \n Nicoli, R.; Guillarme, D.; Leuenberger, N.; Baume, N.; Robinson, N.; Saugy, M.; and Veuthey, J.\n\n\n \n\n\n\n Analytical Chemistry, 88(1): 508–523. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"AnalyticalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{nicoli_analytical_2016,\n\ttitle = {Analytical {Strategies} for {Doping} {Control} {Purposes}: {Needs}, {Challenges}, and {Perspectives}},\n\tvolume = {88},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Analytical {Strategies} for {Doping} {Control} {Purposes}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.analchem.5b03994},\n\tdoi = {10.1021/acs.analchem.5b03994},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nicoli, Raul and Guillarme, Davy and Leuenberger, Nicolas and Baume, Norbert and Robinson, Neil and Saugy, Martial and Veuthey, Jean-Luc},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {508--523},\n}\n\n\n\n
\n
\n\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Fast quantitative analysis of ginsenosides in Asian ginseng (Panax ginseng C. A. Mayer) by using solid-phase methylation coupled to direct analysis in real time: Fast quantitative analysis of ginsenosides in Asian ginseng.\n \n \n \n \n\n\n \n Liu, W.; He, Y.; Li, L.; and Liu, S.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 30: 111–115. August 2016.\n \n\n\n\n
\n\n\n\n \n \n \"FastPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{liu_fast_2016,\n\ttitle = {Fast quantitative analysis of ginsenosides in {Asian} ginseng ({Panax} ginseng {C}. {A}. {Mayer}) by using solid-phase methylation coupled to direct analysis in real time: {Fast} quantitative analysis of ginsenosides in {Asian} ginseng},\n\tvolume = {30},\n\tissn = {09514198},\n\tshorttitle = {Fast quantitative analysis of ginsenosides in {Asian} ginseng ( \\textit{{Panax} ginseng} {C}. {A}. {Mayer}) by using solid-phase methylation coupled to direct analysis in real time},\n\turl = {http://doi.wiley.com/10.1002/rcm.7627},\n\tdoi = {10.1002/rcm.7627},\n\tabstract = {Rational: A fast quantitative method for ginsenosides is essential to minimize analysis time; direct analysis in real time mass spectrometry (DART-MS) has the potential to be used for this purpose. Methods: However, in order to produce ginsenosides, a derivatization such as methylation is required because the strong polarity of ginsenosides makes it difficult to desorp and ionize them in DART-MS. The main objectives of this study were to achieve fast detection and quantitative analysis of ginsenosides by using DART-MS; solid-phase methylation of ginsenosides has been accomplished in a reaction column; methylated products of ginsenosides Rb1, Rd, Re, Rf and Rg1 were analyzed by applying DART-MS where samples could be detected after methylation without the need for further purification. For quantitative analysis, deuterated methylated ginsenosides were prepared by using the solid-phase methylation method and used as internal standards to improve repeatability in DART-MS. Results: Methylated ginsenosides produced protonated molecules [M + H]+ and fragment ions in DART-MS. Two pairs of ginsenoside isomers, Rd/Re (C48H82O18, MW 946) and Rf/Rg1(C42H72O14, MW 800), could be discriminated based on their characteristic fragments in tandem mass spectrometry. By using deuterated methylated ginsenosides as internal standards, fast quantitative analysis of ginsenosides Rb1, Re and Rg1 in Asian ginseng was achieved by DART-MS. Conclusions: DART-MS is a feasible technique for fast quantitative analysis of ginsenosides by assisted methylation and the deuterated internal standard technique.},\n\tlanguage = {en},\n\turldate = {2016-09-30},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Liu, Wenlong and He, Yangfang and Li, Lele and Liu, Shuying},\n\tmonth = aug,\n\tyear = {2016},\n\tpages = {111--115},\n}\n\n\n\n
\n
\n\n\n
\n Rational: A fast quantitative method for ginsenosides is essential to minimize analysis time; direct analysis in real time mass spectrometry (DART-MS) has the potential to be used for this purpose. Methods: However, in order to produce ginsenosides, a derivatization such as methylation is required because the strong polarity of ginsenosides makes it difficult to desorp and ionize them in DART-MS. The main objectives of this study were to achieve fast detection and quantitative analysis of ginsenosides by using DART-MS; solid-phase methylation of ginsenosides has been accomplished in a reaction column; methylated products of ginsenosides Rb1, Rd, Re, Rf and Rg1 were analyzed by applying DART-MS where samples could be detected after methylation without the need for further purification. For quantitative analysis, deuterated methylated ginsenosides were prepared by using the solid-phase methylation method and used as internal standards to improve repeatability in DART-MS. Results: Methylated ginsenosides produced protonated molecules [M + H]+ and fragment ions in DART-MS. Two pairs of ginsenoside isomers, Rd/Re (C48H82O18, MW 946) and Rf/Rg1(C42H72O14, MW 800), could be discriminated based on their characteristic fragments in tandem mass spectrometry. By using deuterated methylated ginsenosides as internal standards, fast quantitative analysis of ginsenosides Rb1, Re and Rg1 in Asian ginseng was achieved by DART-MS. Conclusions: DART-MS is a feasible technique for fast quantitative analysis of ginsenosides by assisted methylation and the deuterated internal standard technique.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time-Mass spectrometry (DART-MS) in forensic and security applications: FORENSIC APPLICATIONS OF DART-MS.\n \n \n \n \n\n\n \n Pavlovich, M. J.; Musselman, B.; and Hall, A. B.\n\n\n \n\n\n\n Mass Spectrometry Reviews. June 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{pavlovich_direct_2016,\n\ttitle = {Direct analysis in real time-{Mass} spectrometry ({DART}-{MS}) in forensic and security applications: {FORENSIC} {APPLICATIONS} {OF} {DART}-{MS}},\n\tissn = {02777037},\n\tshorttitle = {Direct analysis in real time-{Mass} spectrometry ({DART}-{MS}) in forensic and security applications},\n\turl = {http://doi.wiley.com/10.1002/mas.21509},\n\tdoi = {10.1002/mas.21509},\n\tabstract = {Over the last decade, direct analysis in real time (DART) has emerged as a viable method for fast, easy, and reliable “ambient ionization” for forensic analysis. The ability of DART to generate ions from chemicals that might be present at the scene of a criminal activity, whether they are in the gas, liquid, or solid phase, with limited sample preparation has made the technology a useful analytical tool in numerous forensic applications. This review paper summarizes many of those applications, ranging from the analysis of trace evidence to security applications, with a focus on providing the forensic scientist with a resource for developing their own applications. The most common uses for DART in forensics are in studying seized drugs, drugs of abuse and their metabolites, bulk and detonated explosives, toxic chemicals, chemical warfare agents, inks and dyes, and commercial plant and animal products that have been adulterated for economic gain. This review is meant to complement recent reviews that have described the fundamentals of the ionization mechanism and the general use of DART. We describe a wide range of forensic applications beyond the field of analyzing drugs of abuse, which dominates the literature, including common experimental and data analysis methods.},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {Mass Spectrometry Reviews},\n\tauthor = {Pavlovich, Matthew J. and Musselman, Brian and Hall, Adam B.},\n\tmonth = jun,\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n Over the last decade, direct analysis in real time (DART) has emerged as a viable method for fast, easy, and reliable “ambient ionization” for forensic analysis. The ability of DART to generate ions from chemicals that might be present at the scene of a criminal activity, whether they are in the gas, liquid, or solid phase, with limited sample preparation has made the technology a useful analytical tool in numerous forensic applications. This review paper summarizes many of those applications, ranging from the analysis of trace evidence to security applications, with a focus on providing the forensic scientist with a resource for developing their own applications. The most common uses for DART in forensics are in studying seized drugs, drugs of abuse and their metabolites, bulk and detonated explosives, toxic chemicals, chemical warfare agents, inks and dyes, and commercial plant and animal products that have been adulterated for economic gain. This review is meant to complement recent reviews that have described the fundamentals of the ionization mechanism and the general use of DART. We describe a wide range of forensic applications beyond the field of analyzing drugs of abuse, which dominates the literature, including common experimental and data analysis methods.\n
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\n \n\n \n \n \n \n \n \n Mass spectrometric analysis of carisoprodol and meprobamate in rat brain microdialysates: Carisoprodol and meprobamate in microdialysates.\n \n \n \n \n\n\n \n Prokai, L.; Fryčák, P.; Nguyen, V.; and Forster, M. J.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 51(10): 710–717. October 2016.\n \n\n\n\n
\n\n\n\n \n \n \"MassPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{prokai_mass_2016,\n\ttitle = {Mass spectrometric analysis of carisoprodol and meprobamate in rat brain microdialysates: {Carisoprodol} and meprobamate in microdialysates},\n\tvolume = {51},\n\tissn = {10765174},\n\tshorttitle = {Mass spectrometric analysis of carisoprodol and meprobamate in rat brain microdialysates},\n\turl = {http://doi.wiley.com/10.1002/jms.3799},\n\tdoi = {10.1002/jms.3799},\n\tabstract = {We report the evaluation of several mass spectrometry-based methods for the determination of carisoprodol and meprobamate in samples obtained from the rat brain by in vivo intracranial microdialyis. Among the techniques that aspire to perform analyses without chromatographic separation and thereby increase throughput, chip-based nanoelectrospray ionization and the use of an atmospheric pressure solids analysis probe fell short of requirements because of insufficient detection sensitivity and hard ionization, respectively. Although direct analysis in real time provided the required soft ionization, shortcomings of a tandem mass spectrometry-based assay also included inadequate detection sensitivity and, in addition, poor quantitative reproducibility. Therefore, liquid chromatography coupled with atmospheric pressure chemical ionization tandem mass spectrometry was developed to determine carisoprodol and meprobamate from artificial cerebrospinal fluid as the medium. No desalting and/or extraction of the samples was necessary. The assay, combined with in vivo sampling via intracranial microdialyis, afforded time-resolved concentration profiles for the drug and its major metabolite from the nucleus accumbens region of the brain in rats after systemic administration of carisoprodol.},\n\tlanguage = {en},\n\tnumber = {10},\n\turldate = {2016-09-07},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Prokai, Laszlo and Fryčák, Petr and Nguyen, Vien and Forster, Michael J.},\n\tmonth = oct,\n\tyear = {2016},\n\tpages = {710--717},\n}\n\n\n\n
\n
\n\n\n
\n We report the evaluation of several mass spectrometry-based methods for the determination of carisoprodol and meprobamate in samples obtained from the rat brain by in vivo intracranial microdialyis. Among the techniques that aspire to perform analyses without chromatographic separation and thereby increase throughput, chip-based nanoelectrospray ionization and the use of an atmospheric pressure solids analysis probe fell short of requirements because of insufficient detection sensitivity and hard ionization, respectively. Although direct analysis in real time provided the required soft ionization, shortcomings of a tandem mass spectrometry-based assay also included inadequate detection sensitivity and, in addition, poor quantitative reproducibility. Therefore, liquid chromatography coupled with atmospheric pressure chemical ionization tandem mass spectrometry was developed to determine carisoprodol and meprobamate from artificial cerebrospinal fluid as the medium. No desalting and/or extraction of the samples was necessary. The assay, combined with in vivo sampling via intracranial microdialyis, afforded time-resolved concentration profiles for the drug and its major metabolite from the nucleus accumbens region of the brain in rats after systemic administration of carisoprodol.\n
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\n \n\n \n \n \n \n \n \n The detection of multiple illicit street drugs in liquid samples by direct analysis in real time (DART) coupled to Q-orbitrap tandem mass spectrometry.\n \n \n \n \n\n\n \n Chen, T.; Hsu, H.; and Wu, S.\n\n\n \n\n\n\n Forensic Science International, 267: 1–6. October 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chen_detection_2016,\n\ttitle = {The detection of multiple illicit street drugs in liquid samples by direct analysis in real time ({DART}) coupled to {Q}-orbitrap tandem mass spectrometry},\n\tvolume = {267},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073816303292},\n\tdoi = {10.1016/j.forsciint.2016.07.025},\n\tabstract = {Direct analysis in real time coupled to Q-orbitrap tandem mass spectrometry (DART-MS) without requiring preparatory procedures was used to directly detect trace amounts of illegal street drugs, namely p-chloroamphetamine, p-fluoromethamphetamine, γ-hydroxybutyrate, ketamine, methamphetamine, 3,4-methylenedioxypyrovalerone, p-methylethcathinone, methylone, and nimetazepam, in solution and also in real drug samples. Exact mass determination of the drug samples was completed in less than 1 min. With the ability to rapidly identify drugs, this technique shows great potential as a useful analytical tool in the analysis of illicit street drugs, and has the significant advantages of simplicity and sensitivity without the sample preparation needed by other methods.},\n\tlanguage = {en},\n\turldate = {2016-08-18},\n\tjournal = {Forensic Science International},\n\tauthor = {Chen, Tai-Hung and Hsu, Hsin-Yun and Wu, Shu-Pao},\n\tmonth = oct,\n\tyear = {2016},\n\tpages = {1--6},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time coupled to Q-orbitrap tandem mass spectrometry (DART-MS) without requiring preparatory procedures was used to directly detect trace amounts of illegal street drugs, namely p-chloroamphetamine, p-fluoromethamphetamine, γ-hydroxybutyrate, ketamine, methamphetamine, 3,4-methylenedioxypyrovalerone, p-methylethcathinone, methylone, and nimetazepam, in solution and also in real drug samples. Exact mass determination of the drug samples was completed in less than 1 min. With the ability to rapidly identify drugs, this technique shows great potential as a useful analytical tool in the analysis of illicit street drugs, and has the significant advantages of simplicity and sensitivity without the sample preparation needed by other methods.\n
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\n \n\n \n \n \n \n \n \n Rapid fingerprinting of sterols and related compounds in vegetable and animal oils and phytosterol enriched- margarines by transmission mode direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Alberici, R. M.; Fernandes, G. D.; Porcari, A. M.; Eberlin, M. N.; Barrera-Arellano, D.; and Fernández, F. M.\n\n\n \n\n\n\n Food Chemistry, 211: 661–668. November 2016.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n  \n \n 1 download\n \n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{alberici_rapid_2016,\n\ttitle = {Rapid fingerprinting of sterols and related compounds in vegetable and animal oils and phytosterol enriched- margarines by transmission mode direct analysis in real time mass spectrometry},\n\tvolume = {211},\n\tissn = {03088146},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0308814616307373},\n\tdoi = {10.1016/j.foodchem.2016.05.057},\n\tabstract = {Plant-derived sterols, often referred to as phytosterols, are important constituents of plant membranes where they assist in maintaining phospholipid bilayer stability. Consumption of phytosterols has been suggested to positively affect human health by reducing cholesterol levels in blood via inhibition of its absorption in the small intestine, thus protecting against heart attack and stroke. Sterols are challenging analytes for mass spectrometry, since their low polarity makes them difficult to ionize by both electrospray ionization (ESI) and matrix-assisted laser desorption ionization (MALDI), typically requiring derivatization steps to overcome their low ionization efficiencies. We present a fast and reliable method to characterize the composition of phytosterols in vegetable oils and enriched margarines. The method requires no derivatization steps or sample extraction procedures thanks to the use of transmission mode direct analysis in real time mass spectrometry (TM-DART-MS).},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {Food Chemistry},\n\tauthor = {Alberici, Rosana M. and Fernandes, Gabriel D. and Porcari, Andréia M. and Eberlin, Marcos N. and Barrera-Arellano, Daniel and Fernández, Facundo M.},\n\tmonth = nov,\n\tyear = {2016},\n\tpages = {661--668},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Plant-derived sterols, often referred to as phytosterols, are important constituents of plant membranes where they assist in maintaining phospholipid bilayer stability. Consumption of phytosterols has been suggested to positively affect human health by reducing cholesterol levels in blood via inhibition of its absorption in the small intestine, thus protecting against heart attack and stroke. Sterols are challenging analytes for mass spectrometry, since their low polarity makes them difficult to ionize by both electrospray ionization (ESI) and matrix-assisted laser desorption ionization (MALDI), typically requiring derivatization steps to overcome their low ionization efficiencies. We present a fast and reliable method to characterize the composition of phytosterols in vegetable oils and enriched margarines. The method requires no derivatization steps or sample extraction procedures thanks to the use of transmission mode direct analysis in real time mass spectrometry (TM-DART-MS).\n
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\n \n\n \n \n \n \n \n \n Enhancing phytochemical levels, enzymatic and antioxidant activity of spinach leaves by chitosan treatment and an insight into the metabolic pathway using DART-MS technique.\n \n \n \n \n\n\n \n Singh, S.\n\n\n \n\n\n\n Food Chemistry, 199: 176–184. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"EnhancingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{singh_enhancing_2016,\n\ttitle = {Enhancing phytochemical levels, enzymatic and antioxidant activity of spinach leaves by chitosan treatment and an insight into the metabolic pathway using {DART}-{MS} technique},\n\tvolume = {199},\n\tissn = {03088146},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0308814615302673},\n\tdoi = {10.1016/j.foodchem.2015.11.127},\n\tabstract = {Phytochemicals are health promoting compounds, synthesized by the plants to protect them against biotic or abiotic stress. The metabolic pathways leading to the synthesis of these phytochemicals are highly inducible; therefore methods could be developed to enhance their production by the exogenous application of chemical inducers/elicitors. In the present experiment, chitosan was used as an elicitor molecule to improve the phytochemical content of spinach plant. When applied at a concentration of 0.01 mg/ml as a foliar spray, chitosan was able to cause an increase in the enzymatic (peroxidase, catalase and phenylalanine ammonium lyase (PAL)) and non enzymatic (total phenolics, flavonoids and proteins) defensive metabolites, as well as, in the total antioxidant activity of the spinach leaves. A 1.7-fold increase in the total phenolics, a 2-fold increase in total flavonoid and a 1.6-fold increase in total protein were achieved with the treatment. A higher level of enzymatic activity was observed with a 4-fold increase in peroxidase and approximately 3-fold increases in catalase and phenylalanine ammonium lyase activity. Antioxidant activity showed a positive correlation between phenolic compounds and the enzymatic activity. Direct analysis in real time mass spectrometry (DART-MS) was applied to generate the metabolite profile of control and treated leaves. DART analysis revealed the activation of phenylpropanoid pathway by chitosan molecule, targeting the synthesis of diverse classes of flavonoids and their glycosides. Important metabolites of stress response were also visible in the DART spectra, including proline and free sugars.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Food Chemistry},\n\tauthor = {Singh, Shachi},\n\tmonth = may,\n\tyear = {2016},\n\tpages = {176--184},\n}\n\n\n\n
\n
\n\n\n
\n Phytochemicals are health promoting compounds, synthesized by the plants to protect them against biotic or abiotic stress. The metabolic pathways leading to the synthesis of these phytochemicals are highly inducible; therefore methods could be developed to enhance their production by the exogenous application of chemical inducers/elicitors. In the present experiment, chitosan was used as an elicitor molecule to improve the phytochemical content of spinach plant. When applied at a concentration of 0.01 mg/ml as a foliar spray, chitosan was able to cause an increase in the enzymatic (peroxidase, catalase and phenylalanine ammonium lyase (PAL)) and non enzymatic (total phenolics, flavonoids and proteins) defensive metabolites, as well as, in the total antioxidant activity of the spinach leaves. A 1.7-fold increase in the total phenolics, a 2-fold increase in total flavonoid and a 1.6-fold increase in total protein were achieved with the treatment. A higher level of enzymatic activity was observed with a 4-fold increase in peroxidase and approximately 3-fold increases in catalase and phenylalanine ammonium lyase activity. Antioxidant activity showed a positive correlation between phenolic compounds and the enzymatic activity. Direct analysis in real time mass spectrometry (DART-MS) was applied to generate the metabolite profile of control and treated leaves. DART analysis revealed the activation of phenylpropanoid pathway by chitosan molecule, targeting the synthesis of diverse classes of flavonoids and their glycosides. Important metabolites of stress response were also visible in the DART spectra, including proline and free sugars.\n
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\n \n\n \n \n \n \n \n \n The use of Direct Analysis in Real Time (DART) to assess the levels of inhibitors co-extracted with DNA and the associated impact in quantification and amplification.\n \n \n \n \n\n\n \n Moreno, L. I.; and McCord, B. R.\n\n\n \n\n\n\n ELECTROPHORESIS,n/a–n/a. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{moreno_use_2016,\n\ttitle = {The use of {Direct} {Analysis} in {Real} {Time} ({DART}) to assess the levels of inhibitors co-extracted with {DNA} and the associated impact in quantification and amplification},\n\tissn = {01730835},\n\turl = {http://doi.wiley.com/10.1002/elps.201500480},\n\tdoi = {10.1002/elps.201500480},\n\tabstract = {The measure of quality in DNA sample processing starts with an effective nucleic acid isolation procedure. Most problems with DNA sample typing can be attributed to low quantity DNA and/or to the presence of inhibitors in the sample. Therefore, establishing\nwhich isolation method is best at removing potential inhibitors may help overcome some\nof the problems analysts encounter by providing useful information in the determination of the optimal approach for any given sample. Direct analysis in real time (DART) mass spectrometry was used in this study to investigate the ability of different extraction methods\nto remove PCR inhibitors. Methods investigated included both liquid/liquid (phenol–chloroform) and solid phase based robotic procedures, (PrepFiler TM and EZ1 chemistries).\nFollowing extraction, samples were analyzed by DART in order to determine the level of remaining inhibitors and then quantified and amplified to determine the effect any remaining inhibitor had on the overall results. The data suggests that organic extraction methods result in detrimental amounts of phenol carryover while automated methods\nmay produce carry-over of bile salts and other chemicals that preferentially bind the solid phase matrix. Both of these effects can have a negative impact in downstream sample processing and genotyping by PCR.},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {ELECTROPHORESIS},\n\tauthor = {Moreno, Lilliana I. and McCord, Bruce R.},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {n/a--n/a},\n}\n\n\n\n
\n
\n\n\n
\n The measure of quality in DNA sample processing starts with an effective nucleic acid isolation procedure. Most problems with DNA sample typing can be attributed to low quantity DNA and/or to the presence of inhibitors in the sample. Therefore, establishing which isolation method is best at removing potential inhibitors may help overcome some of the problems analysts encounter by providing useful information in the determination of the optimal approach for any given sample. Direct analysis in real time (DART) mass spectrometry was used in this study to investigate the ability of different extraction methods to remove PCR inhibitors. Methods investigated included both liquid/liquid (phenol–chloroform) and solid phase based robotic procedures, (PrepFiler TM and EZ1 chemistries). Following extraction, samples were analyzed by DART in order to determine the level of remaining inhibitors and then quantified and amplified to determine the effect any remaining inhibitor had on the overall results. The data suggests that organic extraction methods result in detrimental amounts of phenol carryover while automated methods may produce carry-over of bile salts and other chemicals that preferentially bind the solid phase matrix. Both of these effects can have a negative impact in downstream sample processing and genotyping by PCR.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time (DART) of an Organothiophosphate at Ultrahigh Resolution by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry and Tandem Mass Spectrometry.\n \n \n \n \n\n\n \n Prokai, L.; and Stevens, S.\n\n\n \n\n\n\n International Journal of Molecular Sciences, 17(1): 116. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{prokai_direct_2016,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) of an {Organothiophosphate} at {Ultrahigh} {Resolution} by {Fourier} {Transform} {Ion} {Cyclotron} {Resonance} {Mass} {Spectrometry} and {Tandem} {Mass} {Spectrometry}},\n\tvolume = {17},\n\tissn = {1422-0067},\n\turl = {http://www.mdpi.com/1422-0067/17/1/116},\n\tdoi = {10.3390/ijms17010116},\n\tabstract = {Direct analysis in real time (DART) is a recently developed ambient ionization technique for mass spectrometry to enable rapid and sensitive analyses with little or no sample preparation. After swab-based field sampling, the organothiophosphate malathion was analyzed using DART-Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS) and tandem mass spectrometry (MS/MS). Mass resolution was documented to be over 800,000 in full-scan MS mode and over 1,000,000 for an MS/MS product ion produced by collision-induced dissociation of the protonated analyte. Mass measurement accuracy below 1 ppm was obtained for all DART-generated ions that belonged to the test compound in the mass spectra acquired using only external mass calibration. This high mass measurement accuracy, achievable at present only through FTMS, was required for unequivocal identification of the corresponding molecular formulae.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-29},\n\tjournal = {International Journal of Molecular Sciences},\n\tauthor = {Prokai, Laszlo and Stevens, Stanley},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {116},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is a recently developed ambient ionization technique for mass spectrometry to enable rapid and sensitive analyses with little or no sample preparation. After swab-based field sampling, the organothiophosphate malathion was analyzed using DART-Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS) and tandem mass spectrometry (MS/MS). Mass resolution was documented to be over 800,000 in full-scan MS mode and over 1,000,000 for an MS/MS product ion produced by collision-induced dissociation of the protonated analyte. Mass measurement accuracy below 1 ppm was obtained for all DART-generated ions that belonged to the test compound in the mass spectra acquired using only external mass calibration. This high mass measurement accuracy, achievable at present only through FTMS, was required for unequivocal identification of the corresponding molecular formulae.\n
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\n \n\n \n \n \n \n \n \n Rapid screening and quantification of glucocorticoids in essential oils using direct analysis in real time mass spectrometry: Rapid screening and quantification of glucocorticoids in essential oils.\n \n \n \n \n\n\n \n Zhang, J.; Li, Z.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 30: 133–140. August 2016.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhang_rapid_2016,\n\ttitle = {Rapid screening and quantification of glucocorticoids in essential oils using direct analysis in real time mass spectrometry: {Rapid} screening and quantification of glucocorticoids in essential oils},\n\tvolume = {30},\n\tissn = {09514198},\n\tshorttitle = {Rapid screening and quantification of glucocorticoids in essential oils using direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7639},\n\tdoi = {10.1002/rcm.7639},\n\tabstract = {Rationale: There is a strong demand to develop a method capable of rapid screening for the adulteration of glucocorticoids (GCs) in cosmetics. An ambient ion source– direct analysis in real time (DART), coupled with quadrupole time of flight mass spectrometry (QTOF MS) was used for the rapid screening of GCs in essential oils. Methods: Liquid–liquid extraction was employed prior to the DART-QTOF MS analysis. Calibration curves for eight GCs were obtained using methyltestosterone as an internal standard. MS/MS experiments and accurate mass measurements were carried out to provide reliable and powerful evidence for the adulteration of targeted GCs. Results: Quantification results were obtained in terms of linearity (R2 for all GCs, 0.986–0.996), sensitivity (limit of detection, 2.0–50 ng/mL), and repeatability (RSD, 1.2–6.0\\%). The entire analytical process can be finished in 5 min, compared with the GC/MS or LC/MS methods for which typical analysis times range from tens of minutes to {\\textgreater}1 h. In addition, comparison of the performance of DART and ESI ion sources showed that DART possessed a relatively low matrix effect when handling complex samples. Conclusions: A new method for the rapid screening and quantification of GCs in essential oils was developed using DART-QTOF MS.},\n\tlanguage = {en},\n\turldate = {2016-09-30},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Zhang, Jialing and Li, Ze and Zhou, Zhigui and Bai, Yu and Liu, Huwei},\n\tmonth = aug,\n\tyear = {2016},\n\tpages = {133--140},\n}\n\n\n\n
\n
\n\n\n
\n Rationale: There is a strong demand to develop a method capable of rapid screening for the adulteration of glucocorticoids (GCs) in cosmetics. An ambient ion source– direct analysis in real time (DART), coupled with quadrupole time of flight mass spectrometry (QTOF MS) was used for the rapid screening of GCs in essential oils. Methods: Liquid–liquid extraction was employed prior to the DART-QTOF MS analysis. Calibration curves for eight GCs were obtained using methyltestosterone as an internal standard. MS/MS experiments and accurate mass measurements were carried out to provide reliable and powerful evidence for the adulteration of targeted GCs. Results: Quantification results were obtained in terms of linearity (R2 for all GCs, 0.986–0.996), sensitivity (limit of detection, 2.0–50 ng/mL), and repeatability (RSD, 1.2–6.0%). The entire analytical process can be finished in 5 min, compared with the GC/MS or LC/MS methods for which typical analysis times range from tens of minutes to \\textgreater1 h. In addition, comparison of the performance of DART and ESI ion sources showed that DART possessed a relatively low matrix effect when handling complex samples. Conclusions: A new method for the rapid screening and quantification of GCs in essential oils was developed using DART-QTOF MS.\n
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\n \n\n \n \n \n \n \n \n The qualitative and quantitative analysis of lubricant oil additives by direct analysis in real time-mass spectrometry.\n \n \n \n \n\n\n \n Da Costa, C.; Whitmarsh, S.; Lynch, T.; and Creaser, C. S.\n\n\n \n\n\n\n International Journal of Mass Spectrometry. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{da_costa_qualitative_2016,\n\ttitle = {The qualitative and quantitative analysis of lubricant oil additives by direct analysis in real time-mass spectrometry},\n\tissn = {13873806},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1387380616300525},\n\tdoi = {10.1016/j.ijms.2016.05.011},\n\tabstract = {The application of direct analysis in real time combined with mass spectrometry (DART-MS) to the qualitative analysis of lubricant and oil additives, and the quantitative analysis of a lubricant antioxidant additive is reported. The additives were analysed alone and in the presence of a base oil matrix, from filter paper, glass and steel surfaces, showing the potential of the DART-MS technique for the direct, rapid analysis of lubricant oil additives. The quantitative capabilities of the technique were evaluated for the antioxidant in an oil matrix at concentrations in the range 0.1–8 mg/mL in oil (1–80 μg antioxidant on spot), using a structural analogue of the antioxidant as an internal standard. The linearity (R2 = 0.997), precision (\\% RSD = 2.6\\%) and LOD (0.04 mg/mL in oil) of the method demonstrates that DART-MS is capable of the rapid determination of additives in oil without pre-extraction.},\n\tlanguage = {en},\n\turldate = {2016-05-24},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Da Costa, Caitlyn and Whitmarsh, Samuel and Lynch, Tom and Creaser, Colin S.},\n\tmonth = may,\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n The application of direct analysis in real time combined with mass spectrometry (DART-MS) to the qualitative analysis of lubricant and oil additives, and the quantitative analysis of a lubricant antioxidant additive is reported. The additives were analysed alone and in the presence of a base oil matrix, from filter paper, glass and steel surfaces, showing the potential of the DART-MS technique for the direct, rapid analysis of lubricant oil additives. The quantitative capabilities of the technique were evaluated for the antioxidant in an oil matrix at concentrations in the range 0.1–8 mg/mL in oil (1–80 μg antioxidant on spot), using a structural analogue of the antioxidant as an internal standard. The linearity (R2 = 0.997), precision (% RSD = 2.6%) and LOD (0.04 mg/mL in oil) of the method demonstrates that DART-MS is capable of the rapid determination of additives in oil without pre-extraction.\n
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\n \n\n \n \n \n \n \n \n Tandem DART™ MS Methods for Methadone Analysis in Unprocessed Urine.\n \n \n \n \n\n\n \n Beck, R.; Carter, P.; Shonsey, E.; and Graves, D.\n\n\n \n\n\n\n Journal of Analytical Toxicology, 40(2): 140–147. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"TandemPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{beck_tandem_2016,\n\ttitle = {Tandem {DART}™ {MS} {Methods} for {Methadone} {Analysis} in {Unprocessed} {Urine}},\n\tvolume = {40},\n\tissn = {0146-4760, 1945-2403},\n\turl = {http://jat.oxfordjournals.org/lookup/doi/10.1093/jat/bkv128},\n\tdoi = {10.1093/jat/bkv128},\n\tabstract = {Current methods of methadone analysis in untreated urine are traditionally limited to enzyme immunoassays (EIA) while confirmation techniques require specimen processing (i.e., sample clean-up) before analyzing by gas or liquid chromatography coupled with mass spectrometry (GC-MS or LC-MS-MS). EIA and traditional confirmation techniques can be costly and, at times inefficient. As an alternative approach, we present Direct Analysis in Real Time (DART™) coupled with both time-of-flight and triple quadrupole linear ion trap (Q-TRAP™) mass spectrometers for screening and confirming methadone in untreated urine specimens. These approaches require neither expensive kits nor sample clean-up for analysis. More importantly, the total combined analysis time for both screening and confirmation methods was {\\textless}5 min per sample; in contrast to the 3-5 day process required by traditional EIA, GC-MS and LC-MS-MS techniques. To examine the fundamental protocol and its applicability for routine drug screening, studies were performed that included limits of detection, precision, selectivity and specificity, sample recovery and stability and method robustness. The methods described in this report were determined to be highly specific and selective; allowing for detection of methadone at 250 ng/mL, consistent with cutoffs for current EIA techniques (300 ng/mL). The results reported here demonstrate the DART™ MS platform provides rapid and selective methadone analysis and the potential for providing savings of both time and resources compared with current analysis procedures.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-03-22},\n\tjournal = {Journal of Analytical Toxicology},\n\tauthor = {Beck, Rachel and Carter, Patrick and Shonsey, Erin and Graves, David},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {140--147},\n}\n\n\n\n
\n
\n\n\n
\n Current methods of methadone analysis in untreated urine are traditionally limited to enzyme immunoassays (EIA) while confirmation techniques require specimen processing (i.e., sample clean-up) before analyzing by gas or liquid chromatography coupled with mass spectrometry (GC-MS or LC-MS-MS). EIA and traditional confirmation techniques can be costly and, at times inefficient. As an alternative approach, we present Direct Analysis in Real Time (DART™) coupled with both time-of-flight and triple quadrupole linear ion trap (Q-TRAP™) mass spectrometers for screening and confirming methadone in untreated urine specimens. These approaches require neither expensive kits nor sample clean-up for analysis. More importantly, the total combined analysis time for both screening and confirmation methods was \\textless5 min per sample; in contrast to the 3-5 day process required by traditional EIA, GC-MS and LC-MS-MS techniques. To examine the fundamental protocol and its applicability for routine drug screening, studies were performed that included limits of detection, precision, selectivity and specificity, sample recovery and stability and method robustness. The methods described in this report were determined to be highly specific and selective; allowing for detection of methadone at 250 ng/mL, consistent with cutoffs for current EIA techniques (300 ng/mL). The results reported here demonstrate the DART™ MS platform provides rapid and selective methadone analysis and the potential for providing savings of both time and resources compared with current analysis procedures.\n
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\n \n\n \n \n \n \n \n \n Forensic Chemistry and Ambient Mass Spectrometry: A Perfect Couple Destined for a Happy Marriage?.\n \n \n \n \n\n\n \n Correa, D. N.; Santos, J. M.; Eberlin, L. S.; Eberlin, M. N.; and Teunissen, S. F.\n\n\n \n\n\n\n Analytical Chemistry, 88(5): 2515–2526. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ForensicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{correa_forensic_2016,\n\ttitle = {Forensic {Chemistry} and {Ambient} {Mass} {Spectrometry}: {A} {Perfect} {Couple} {Destined} for a {Happy} {Marriage}?},\n\tvolume = {88},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Forensic {Chemistry} and {Ambient} {Mass} {Spectrometry}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.analchem.5b02397},\n\tdoi = {10.1021/acs.analchem.5b02397},\n\tabstract = {Ambient mass spectrometry has been demonstrated, via various proof-of-concept studies, to o\nff\ner a\npowerful, rather universal, simple, fast, nondestructive, and robust tool in forensic chemistry,\nproducing reliable evidence at the molecular level. Its nearly nondestructive nature also preserves the\nsample for further inquiries. This feature article demonstrates the applicability of ambient mass\nspectrometry in forensic chemistry and explains the challenges that need to be overcome for this\ntechnique to make the ultimate step from the academic world into forensic institutes worldwide. We\nanticipate that the many bene\nfi\ncial and matching\nfi\ngures of merit will bring forensic chemistry and\nambient mass spectrometry to a long-term relationship, which is likely to get strongly consolidated\nover the years.},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-04-26},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Correa, Deleon N. and Santos, Jandyson M. and Eberlin, Livia S. and Eberlin, Marcos N. and Teunissen, Sebastiaan F.},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {2515--2526},\n}\n\n\n\n
\n
\n\n\n
\n Ambient mass spectrometry has been demonstrated, via various proof-of-concept studies, to o ff er a powerful, rather universal, simple, fast, nondestructive, and robust tool in forensic chemistry, producing reliable evidence at the molecular level. Its nearly nondestructive nature also preserves the sample for further inquiries. This feature article demonstrates the applicability of ambient mass spectrometry in forensic chemistry and explains the challenges that need to be overcome for this technique to make the ultimate step from the academic world into forensic institutes worldwide. We anticipate that the many bene fi cial and matching fi gures of merit will bring forensic chemistry and ambient mass spectrometry to a long-term relationship, which is likely to get strongly consolidated over the years.\n
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\n \n\n \n \n \n \n \n \n Ambient Ionisation–High-Resolution Mass Spectrometry: Environmental, Food, Forensic and Doping analysis.\n \n \n \n \n\n\n \n Seró, R.; Núñez, ó.; and Moyano, E.\n\n\n \n\n\n\n In Comprehensive Analytical Chemistry. Elsevier, 2016.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{sero_ambient_2016,\n\ttitle = {Ambient {Ionisation}–{High}-{Resolution} {Mass} {Spectrometry}: {Environmental}, {Food}, {Forensic} and {Doping} analysis},\n\tshorttitle = {Ambient {Ionisation}–{High}-{Resolution} {Mass} {Spectrometry}},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0166526X16300034},\n\tabstract = {Nowadays, laboratories belonging to different areas such as toxicology, clinical chemistry, forensics, doping as well as environmental and food analysis are interested in cost-effective methodologies able to cope with the fast screening of complex matrices. 'Ambient ionisation' techniques appear as powerful direct analysis approaches for the fast screening of samples with minimal or no sample preparation or chromatographic separation prior to analysis. However, their combination with high-resolution mass spectrometry becomes a necessity to solve several matrix-related problems arising from the presence of isobaric interferences or sensitivity issues. In this chapter, the application of ambient ionisation-high-resolution mass spectrometry in environmental, food, forensic and doping analysis will be addressed. Coverage of all kind of applications is beyond the scope of the present contribution, so we will focus mainly on desorption electrospray ionisation and direct analysis in real time in combination with high-resolution mass spectrometry.},\n\tlanguage = {en},\n\turldate = {2016-06-01},\n\tbooktitle = {Comprehensive {Analytical} {Chemistry}},\n\tpublisher = {Elsevier},\n\tauthor = {Seró, R. and Núñez, ó. and Moyano, E.},\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n Nowadays, laboratories belonging to different areas such as toxicology, clinical chemistry, forensics, doping as well as environmental and food analysis are interested in cost-effective methodologies able to cope with the fast screening of complex matrices. 'Ambient ionisation' techniques appear as powerful direct analysis approaches for the fast screening of samples with minimal or no sample preparation or chromatographic separation prior to analysis. However, their combination with high-resolution mass spectrometry becomes a necessity to solve several matrix-related problems arising from the presence of isobaric interferences or sensitivity issues. In this chapter, the application of ambient ionisation-high-resolution mass spectrometry in environmental, food, forensic and doping analysis will be addressed. Coverage of all kind of applications is beyond the scope of the present contribution, so we will focus mainly on desorption electrospray ionisation and direct analysis in real time in combination with high-resolution mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Revealing the composition of organic materials in polychrome works of art: the role of mass spectrometry-based techniques.\n \n \n \n \n\n\n \n Calvano, C. D.; van der Werf, I. D.; Palmisano, F.; and Sabbatini, L.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 408(25): 6957–6981. October 2016.\n \n\n\n\n
\n\n\n\n \n \n \"RevealingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{calvano_revealing_2016,\n\ttitle = {Revealing the composition of organic materials in polychrome works of art: the role of mass spectrometry-based techniques},\n\tvolume = {408},\n\tissn = {1618-2642, 1618-2650},\n\tshorttitle = {Revealing the composition of organic materials in polychrome works of art},\n\turl = {http://link.springer.com/10.1007/s00216-016-9862-8},\n\tdoi = {10.1007/s00216-016-9862-8},\n\tabstract = {The most recent advances in the identification and determination of organic constituents in paintings and other polychrome objects using mass spectrometry (MS)-based techniques are reviewed. The latest achievements in gas chromatography (GC)-MS and pyrolysis (Py-) GC-MS are mainly related to sample pretreatment protocols and to the employment of double-shot or laser desorption pyrolysis, respectively. MS techniques based on soft ionization methods such as matrix assisted laser desorption ionization (MALDI) and electrospray ionization (ESI) are discussed. So far, MALDI and ESI MS have been mainly used in the characterization of proteinaceous materials, but further applications are definitely emerging, e.g., in the fields of lipids, resins, and organic colorants analysis. Chemical imaging by time-of-flight secondary ion mass spectrometry (TOF SIMS), formerly applied to the detection and localization of lipid binders and inorganic materials, has been recently extended to proteins. Finally, the potential of niche techniques such as direct temperature resolved mass spectrometry (DTMS) and direct analysis in real time (DART) MS are outlined.},\n\tlanguage = {en},\n\tnumber = {25},\n\turldate = {2016-09-30},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Calvano, Cosima Damiana and van der Werf, Inez Dorothé and Palmisano, Francesco and Sabbatini, Luigia},\n\tmonth = oct,\n\tyear = {2016},\n\tpages = {6957--6981},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The most recent advances in the identification and determination of organic constituents in paintings and other polychrome objects using mass spectrometry (MS)-based techniques are reviewed. The latest achievements in gas chromatography (GC)-MS and pyrolysis (Py-) GC-MS are mainly related to sample pretreatment protocols and to the employment of double-shot or laser desorption pyrolysis, respectively. MS techniques based on soft ionization methods such as matrix assisted laser desorption ionization (MALDI) and electrospray ionization (ESI) are discussed. So far, MALDI and ESI MS have been mainly used in the characterization of proteinaceous materials, but further applications are definitely emerging, e.g., in the fields of lipids, resins, and organic colorants analysis. Chemical imaging by time-of-flight secondary ion mass spectrometry (TOF SIMS), formerly applied to the detection and localization of lipid binders and inorganic materials, has been recently extended to proteins. Finally, the potential of niche techniques such as direct temperature resolved mass spectrometry (DTMS) and direct analysis in real time (DART) MS are outlined.\n
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\n \n\n \n \n \n \n \n \n Application of direct analysis in real time (DART) and direct inlet probe (DIP-APCI) mass spectrometry in the context of industrial sample analysis.\n \n \n \n \n\n\n \n Viehbeck, S.; and Matysik, F.\n\n\n \n\n\n\n Monatshefte für Chemie - Chemical Monthly, 147(8): 1349–1352. August 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{viehbeck_application_2016,\n\ttitle = {Application of direct analysis in real time ({DART}) and direct inlet probe ({DIP}-{APCI}) mass spectrometry in the context of industrial sample analysis},\n\tvolume = {147},\n\tissn = {0026-9247, 1434-4475},\n\turl = {http://link.springer.com/10.1007/s00706-016-1789-4},\n\tdoi = {10.1007/s00706-016-1789-4},\n\tabstract = {Abstract: In today’s industry, quick and reliable analytical methods play an important role for quality control. On that account, two emerging techniques, namely direct inlet probe-atmospheric pressure chemical ionization (DIP-APCI) and direct analysis in real time (DART) mass spectrometry, are particularly promising. In case of a DIP-APCI source, small amounts of solid or liquid samples can be studied without sample pre-treatment. A similar system is the DART ion source. In addition to the analysis of solid and liquid samples without pre-separation, this ion source offers the possibility to scan the surface of a sample. A method for industrial sample analysis focusing on the study of delamination of coatings from a panel was developed using DIP-APCI-Q-TOF-MS and DART-Q-TOF-MS, respectively. Comparative studies based on the conventional pyrolysis–GC–MS were carried out.},\n\tlanguage = {en},\n\tnumber = {8},\n\turldate = {2016-09-30},\n\tjournal = {Monatshefte für Chemie - Chemical Monthly},\n\tauthor = {Viehbeck, Stefan and Matysik, Frank-Michael},\n\tmonth = aug,\n\tyear = {2016},\n\tpages = {1349--1352},\n}\n\n\n\n
\n
\n\n\n
\n Abstract: In today’s industry, quick and reliable analytical methods play an important role for quality control. On that account, two emerging techniques, namely direct inlet probe-atmospheric pressure chemical ionization (DIP-APCI) and direct analysis in real time (DART) mass spectrometry, are particularly promising. In case of a DIP-APCI source, small amounts of solid or liquid samples can be studied without sample pre-treatment. A similar system is the DART ion source. In addition to the analysis of solid and liquid samples without pre-separation, this ion source offers the possibility to scan the surface of a sample. A method for industrial sample analysis focusing on the study of delamination of coatings from a panel was developed using DIP-APCI-Q-TOF-MS and DART-Q-TOF-MS, respectively. Comparative studies based on the conventional pyrolysis–GC–MS were carried out.\n
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\n \n\n \n \n \n \n \n \n Detection of polydimethylsiloxanes transferred from silicone-coated parchment paper to baked goods using direct analysis in real time mass spectrometry: DART detects silicone on food baked on parchment.\n \n \n \n \n\n\n \n Jakob, A.; Crawford, E. A.; and Gross, J. H.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 51(4): 298–304. April 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jakob_detection_2016,\n\ttitle = {Detection of polydimethylsiloxanes transferred from silicone-coated parchment paper to baked goods using direct analysis in real time mass spectrometry: {DART} detects silicone on food baked on parchment},\n\tvolume = {51},\n\tissn = {10765174},\n\tshorttitle = {Detection of polydimethylsiloxanes transferred from silicone-coated parchment paper to baked goods using direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/jms.3757},\n\tdoi = {10.1002/jms.3757},\n\tlanguage = {en},\n\tnumber = {4},\n\turldate = {2016-05-20},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Jakob, Andreas and Crawford, Elizabeth A. and Gross, Jürgen H.},\n\tmonth = apr,\n\tyear = {2016},\n\tpages = {298--304},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Phase, composition, and growth mechanism for secondary organic aerosol from the ozonolysis of <i>α</i>-cedrene.\n \n \n \n \n\n\n \n Zhao, Y.; Wingen, L. M.; Perraud, V.; and Finlayson-Pitts, B. J.\n\n\n \n\n\n\n Atmospheric Chemistry and Physics, 16(5): 3245–3264. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"Phase,Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhao_phase_2016,\n\ttitle = {Phase, composition, and growth mechanism for secondary organic aerosol from the ozonolysis of \\&lt;i\\&gt;α\\&lt;/i\\&gt;-cedrene},\n\tvolume = {16},\n\tissn = {1680-7324},\n\turl = {http://www.atmos-chem-phys.net/16/3245/2016/},\n\tdoi = {10.5194/acp-16-3245-2016},\n\tabstract = {Sesquiterpenes are an important class of biogenic volatile organic compounds (BVOCs) and have a high secondary organic aerosol (SOA) forming potential. However, SOA formation from sesquiterpene oxidation has received less attention compared to other BVOCs such as monoterpenes, and the underlying mechanisms remain poorly understood. In this work, we present a comprehensive experimental investigation of the ozonolysis of α-cedrene both in a glass flow reactor (27-44 s reaction times) and in static Teflon chambers (30-60 min reaction times). The SOA was collected by impaction or filters, followed by analysis using attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy and electrospray ionization mass spectrometry (ESI-MS), or measured online using direct analysis in real-time mass spectrometry (DART-MS) and aerosol mass spectrometry (AMS). The slow evaporation of 2-ethylhexyl nitrate that was incorporated into the SOA during its formation and growth gives an estimated diffusion coefficient of 3 × 10-15 cm2 s-1 and shows that SOA is a highly viscous semisolid. Possible structures of four newly observed low molecular weight (MW ≤ 300 Da) reaction products with higher oxygen content than those previously reported were identified. High molecular weight (HMW) products formed in the early stages of the oxidation have structures consistent with aldol condensation products, peroxyhemiacetals, and esters. The size-dependent distributions of HMW products in the SOA, as well as the effects of stabilized Criegee intermediate (SCI) scavengers on HMW products and particle formation, confirm that HMW products and reactions of SCI play a crucial role in early stages of particle formation. Our studies provide new insights into mechanisms of SOA formation and growth in α-cedrene ozonolysis and the important role of sesquiterpenes in new particle formation as suggested by field measurements.},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-04-26},\n\tjournal = {Atmospheric Chemistry and Physics},\n\tauthor = {Zhao, Yue and Wingen, Lisa M. and Perraud, Véronique and Finlayson-Pitts, Barbara J.},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {3245--3264},\n}\n\n\n\n
\n
\n\n\n
\n Sesquiterpenes are an important class of biogenic volatile organic compounds (BVOCs) and have a high secondary organic aerosol (SOA) forming potential. However, SOA formation from sesquiterpene oxidation has received less attention compared to other BVOCs such as monoterpenes, and the underlying mechanisms remain poorly understood. In this work, we present a comprehensive experimental investigation of the ozonolysis of α-cedrene both in a glass flow reactor (27-44 s reaction times) and in static Teflon chambers (30-60 min reaction times). The SOA was collected by impaction or filters, followed by analysis using attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy and electrospray ionization mass spectrometry (ESI-MS), or measured online using direct analysis in real-time mass spectrometry (DART-MS) and aerosol mass spectrometry (AMS). The slow evaporation of 2-ethylhexyl nitrate that was incorporated into the SOA during its formation and growth gives an estimated diffusion coefficient of 3 × 10-15 cm2 s-1 and shows that SOA is a highly viscous semisolid. Possible structures of four newly observed low molecular weight (MW ≤ 300 Da) reaction products with higher oxygen content than those previously reported were identified. High molecular weight (HMW) products formed in the early stages of the oxidation have structures consistent with aldol condensation products, peroxyhemiacetals, and esters. The size-dependent distributions of HMW products in the SOA, as well as the effects of stabilized Criegee intermediate (SCI) scavengers on HMW products and particle formation, confirm that HMW products and reactions of SCI play a crucial role in early stages of particle formation. Our studies provide new insights into mechanisms of SOA formation and growth in α-cedrene ozonolysis and the important role of sesquiterpenes in new particle formation as suggested by field measurements.\n
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\n \n\n \n \n \n \n \n \n Fingerprinting of falsified artemisinin combination therapies via direct analysis in real time coupled to a compact single quadrupole mass spectrometer.\n \n \n \n \n\n\n \n Bernier, M. C.; Li, F.; Musselman, B.; Newton, P. N.; and Fernández, F. M.\n\n\n \n\n\n\n Anal. Methods. 2016.\n \n\n\n\n
\n\n\n\n \n \n \"FingerprintingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bernier_fingerprinting_2016,\n\ttitle = {Fingerprinting of falsified artemisinin combination therapies via direct analysis in real time coupled to a compact single quadrupole mass spectrometer},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C6AY01418F},\n\tdoi = {10.1039/C6AY01418F},\n\tabstract = {Falsified anti-malarial treatments continue to constitute a major health crisis, especially in malarious Africa. Even after detection of poor quality pharmaceuticals, it is critical that they be fully analyzed to determine their components, in order to assess their health effects and ultimately allow forensic tracing of their sources of production and distribution. Timely assessment requires robust and complete field-testing, or at the very least timely analysis after seizure or purchase. Ideally, low-cost and simple analytical equipment such as portable mass spectrometry (MS) is the best approach for achieving this quick and informative analysis. To date, Direct Analysis in Real Time (DART) MS has been successfully implemented to rapidly analyze falsified artemisinin-based combination therapies (ACTs) in laboratory settings, but this approach typically translates into high-cost and the need for high-resolution instrumentation. Here, we examine the use of DART ionization coupled with a portable low-resolution single-quadrupole instrument, and compare its success in fingerprinting anti-malarial tablets with higher resolution instrumentation. Using single quadrupole DART-MS, the same sample components were detected as with the high-resolution instrument, while needing significantly less consumables and power, and the additional advantages of increased portability and ease of use. Using Principal Component Analysis (PCA) of DART data, specific classes of falsified ACTs were identified, providing a more straightforward method for sourcing counterfeits and assessing their similarities.},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {Anal. Methods},\n\tauthor = {Bernier, Matthew C. and Li, Frederick and Musselman, Brian and Newton, Paul N. and Fernández, Facundo M.},\n\tyear = {2016},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Falsified anti-malarial treatments continue to constitute a major health crisis, especially in malarious Africa. Even after detection of poor quality pharmaceuticals, it is critical that they be fully analyzed to determine their components, in order to assess their health effects and ultimately allow forensic tracing of their sources of production and distribution. Timely assessment requires robust and complete field-testing, or at the very least timely analysis after seizure or purchase. Ideally, low-cost and simple analytical equipment such as portable mass spectrometry (MS) is the best approach for achieving this quick and informative analysis. To date, Direct Analysis in Real Time (DART) MS has been successfully implemented to rapidly analyze falsified artemisinin-based combination therapies (ACTs) in laboratory settings, but this approach typically translates into high-cost and the need for high-resolution instrumentation. Here, we examine the use of DART ionization coupled with a portable low-resolution single-quadrupole instrument, and compare its success in fingerprinting anti-malarial tablets with higher resolution instrumentation. Using single quadrupole DART-MS, the same sample components were detected as with the high-resolution instrument, while needing significantly less consumables and power, and the additional advantages of increased portability and ease of use. Using Principal Component Analysis (PCA) of DART data, specific classes of falsified ACTs were identified, providing a more straightforward method for sourcing counterfeits and assessing their similarities.\n
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\n \n\n \n \n \n \n \n \n Mechanosensitivity below Ground: Touch-Sensitive Smell-Producing Roots in the Shy Plant Mimosa pudica.\n \n \n \n \n\n\n \n Musah, R. A.; Lesiak, A. D.; Maron, M. J.; Cody, R. B.; Edwards, D.; Fowble, K. L.; Dane, A. J.; and Long, M. C.\n\n\n \n\n\n\n Plant Physiology, 170(2): 1075–1089. February 2016.\n \n\n\n\n
\n\n\n\n \n \n \"MechanosensitivityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{musah_mechanosensitivity_2016,\n\ttitle = {Mechanosensitivity below {Ground}: {Touch}-{Sensitive} {Smell}-{Producing} {Roots} in the {Shy} {Plant} {Mimosa} pudica},\n\tvolume = {170},\n\tissn = {0032-0889, 1532-2548},\n\tshorttitle = {Mechanosensitivity below {Ground}},\n\turl = {http://www.plantphysiol.org/lookup/doi/10.1104/pp.15.01705},\n\tdoi = {10.1104/pp.15.01705},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-03-22},\n\tjournal = {Plant Physiology},\n\tauthor = {Musah, Rabi A. and Lesiak, Ashton D. and Maron, Max J. and Cody, Robert B. and Edwards, David and Fowble, Kristen L. and Dane, A. John and Long, Michael C.},\n\tmonth = feb,\n\tyear = {2016},\n\tpages = {1075--1089},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n (Un)targeted Scanning of Locks of Hair for Drugs of Abuse by Direct Analysis in Real Time–High-Resolution Mass Spectrometry.\n \n \n \n \n\n\n \n Duvivier, W. F.; van Putten, M. R.; van Beek, T. A.; and Nielen, M. W. F.\n\n\n \n\n\n\n Analytical Chemistry, 88(4): 2489–2496. February 2016.\n \n\n\n\n
\n\n\n\n \n \n \"(Un)targetedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{duvivier_targeted_2016,\n\ttitle = {({Un})targeted {Scanning} of {Locks} of {Hair} for {Drugs} of {Abuse} by {Direct} {Analysis} in {Real} {Time}–{High}-{Resolution} {Mass} {Spectrometry}},\n\tvolume = {88},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.analchem.5b04759},\n\tdoi = {10.1021/acs.analchem.5b04759},\n\tabstract = {Forensic hair evidence can be used to obtain retrospective timelines of drug use by analysis of hair segments. However, this is a laborious and time-consuming process, and mass spectrometric (MS) imaging techniques, which show great potential for single-hair targeted analysis, are less useful due to differences in hair growth rate between individual hairs. As an alternative, a fast untargeted analysis method was developed that uses direct analysis in real time-high-resolution mass spectrometry (DART-HRMS) to longitudinally scan intact locks of hair without extensive sample preparation or segmentation. The hair scan method was validated for cocaine against an accredited liquid chromatography/tandem mass spectrometry (LC/MS/MS) method. The detection limit for cocaine in hair was found to comply with the cutoff value of 0.5 ng/mg recommended by the Society of Hair Testing; that is, the DART hair scan method is amenable to forensic cases. Under DART conditions, no significant thermal degradation of cocaine occurred. The standard DART spot size of 5.1 ± 1.1 mm could be improved to 3.3 ± 1.0 mm, corresponding to approximately 10 days of hair growth, by using a high spatial resolution exit cone. By use of data-dependent product ion scans, multiple drugs of abuse could be detected in a single drug user hair scan with confirmation of identity by both exact mass and MS/HRMS fragmentation patterns. Furthermore, full-scan high-resolution data were retrospectively interrogated versus a list of more than 100 compounds and revealed additional hits and temporal profiles in good correlation with reported drug use.},\n\tlanguage = {en},\n\tnumber = {4},\n\turldate = {2016-03-22},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Duvivier, Wilco F. and van Putten, Marc R. and van Beek, Teris A. and Nielen, Michel W. F.},\n\tmonth = feb,\n\tyear = {2016},\n\tpages = {2489--2496},\n}\n\n\n\n
\n
\n\n\n
\n Forensic hair evidence can be used to obtain retrospective timelines of drug use by analysis of hair segments. However, this is a laborious and time-consuming process, and mass spectrometric (MS) imaging techniques, which show great potential for single-hair targeted analysis, are less useful due to differences in hair growth rate between individual hairs. As an alternative, a fast untargeted analysis method was developed that uses direct analysis in real time-high-resolution mass spectrometry (DART-HRMS) to longitudinally scan intact locks of hair without extensive sample preparation or segmentation. The hair scan method was validated for cocaine against an accredited liquid chromatography/tandem mass spectrometry (LC/MS/MS) method. The detection limit for cocaine in hair was found to comply with the cutoff value of 0.5 ng/mg recommended by the Society of Hair Testing; that is, the DART hair scan method is amenable to forensic cases. Under DART conditions, no significant thermal degradation of cocaine occurred. The standard DART spot size of 5.1 ± 1.1 mm could be improved to 3.3 ± 1.0 mm, corresponding to approximately 10 days of hair growth, by using a high spatial resolution exit cone. By use of data-dependent product ion scans, multiple drugs of abuse could be detected in a single drug user hair scan with confirmation of identity by both exact mass and MS/HRMS fragmentation patterns. Furthermore, full-scan high-resolution data were retrospectively interrogated versus a list of more than 100 compounds and revealed additional hits and temporal profiles in good correlation with reported drug use.\n
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\n \n\n \n \n \n \n \n \n Petroleomics by Direct Analysis in Real Time-Mass Spectrometry.\n \n \n \n \n\n\n \n Romão, W.; Tose, L. V.; Vaz, B. G.; Sama, S. G.; Lobinski, R.; Giusti, P.; Carrier, H.; and Bouyssiere, B.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 27(1): 182–185. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"PetroleomicsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{romao_petroleomics_2016,\n\ttitle = {Petroleomics by {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry}},\n\tvolume = {27},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-015-1266-z},\n\tdoi = {10.1007/s13361-015-1266-z},\n\tabstract = {The analysis of crude oil and its fractions by applying ambient ionization techniques remains underexplored in mass spectrometry (MS). Direct analysis in real time (DART) in the positive-ion mode was coupled to a linear quadrupole ion trap Orbitrap mass spectrometer (LTQ Orbitrap) to analyze crude oil, paraffin samples, and porphyrin standard compounds. The ionization parameters of DART-MS were optimized for crude oil analysis. DART-MS rendered the optimum conditions of the operation using paper as the substrate, T = 400°C, helium as the carrier gas, and a sample concentration 6 mg mL-1. In the crude oils analysis, the DART(+)-Orbitrap mass spectra detected the typical N, NO, and O-containing compounds. In the paraffin samples, oxidized hydrocarbon species (Ox classes, where x = 1-4) with double-bond equivalent of 1-4 were detected, and their structures and connectivity were confirmed by collision-induced dissociation (CID) experiments. DART(+)-MS has identified the porphyrin standard compounds as [M + H]+ ions of m/z 615.2502 and 680.1763, where M = C44H30N4 and C44H28N4OV, respectively, based on the formula assignment and by phenyl losses observed on CID experiments.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-29},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Romão, Wanderson and Tose, Lilian V. and Vaz, Boniek G. and Sama, Sara G. and Lobinski, Ryszard and Giusti, Pierre and Carrier, Hervé and Bouyssiere, Brice},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {182--185},\n}\n\n\n\n
\n
\n\n\n
\n The analysis of crude oil and its fractions by applying ambient ionization techniques remains underexplored in mass spectrometry (MS). Direct analysis in real time (DART) in the positive-ion mode was coupled to a linear quadrupole ion trap Orbitrap mass spectrometer (LTQ Orbitrap) to analyze crude oil, paraffin samples, and porphyrin standard compounds. The ionization parameters of DART-MS were optimized for crude oil analysis. DART-MS rendered the optimum conditions of the operation using paper as the substrate, T = 400°C, helium as the carrier gas, and a sample concentration 6 mg mL-1. In the crude oils analysis, the DART(+)-Orbitrap mass spectra detected the typical N, NO, and O-containing compounds. In the paraffin samples, oxidized hydrocarbon species (Ox classes, where x = 1-4) with double-bond equivalent of 1-4 were detected, and their structures and connectivity were confirmed by collision-induced dissociation (CID) experiments. DART(+)-MS has identified the porphyrin standard compounds as [M + H]+ ions of m/z 615.2502 and 680.1763, where M = C44H30N4 and C44H28N4OV, respectively, based on the formula assignment and by phenyl losses observed on CID experiments.\n
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\n \n\n \n \n \n \n \n \n Identification of print-related contaminants in food packaging.\n \n \n \n \n\n\n \n Lago, M. A.; and Ackerman, L. K.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 33(3): 518–529. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lago_identification_2016,\n\ttitle = {Identification of print-related contaminants in food packaging},\n\tvolume = {33},\n\tissn = {1944-0049, 1944-0057},\n\turl = {http://www.tandfonline.com/doi/full/10.1080/19440049.2015.1136435},\n\tdoi = {10.1080/19440049.2015.1136435},\n\tabstract = {Since the UV ink photoinitiator (PI) isopropylthioxanthone (ITX) was discovered in packaged milk, studies of print contamination have focused primarily on PIs but have also included amine synergists. Many other substances are used or formed during the print process, yet their identity and set-off properties have yet to be catalogued in food packaging. Three different techniques: direct analysis in real-time high-resolution mass spectrometry (DART-HRMS), gas chromatography-mass spectrometry (GC-MS) and ultra-high-pressure liquid chromatography electrospray ionisation/HRMS (UHPLC/ESI-HRMS) were used to detect and identify print-related molecules from the food-contact and print surfaces of three different packages with under-cured prints. This approach tentatively identified or confirmed 110 compounds, including 35 print-related molecules. The majority of compounds identified on food-contact surfaces were packaging monomers/byproducts, solvents/plasticisers, antioxidants/degradants or slip agents/lubricants. Of these, 28 showed evidence of set-off. The identities of 16 PIs, seven known scission products and five probable PI degradants were confirmed, most showing signs of set-off. Of the print-related molecules, at least five are novel print contaminants such as 4-morpholin-4-yl-benzaldehyde or 3-phenyl-2-benzofuran-1(3H)-one.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-03-22},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Lago, Miguel A. and Ackerman, Luke K.},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {518--529},\n}\n\n\n\n
\n
\n\n\n
\n Since the UV ink photoinitiator (PI) isopropylthioxanthone (ITX) was discovered in packaged milk, studies of print contamination have focused primarily on PIs but have also included amine synergists. Many other substances are used or formed during the print process, yet their identity and set-off properties have yet to be catalogued in food packaging. Three different techniques: direct analysis in real-time high-resolution mass spectrometry (DART-HRMS), gas chromatography-mass spectrometry (GC-MS) and ultra-high-pressure liquid chromatography electrospray ionisation/HRMS (UHPLC/ESI-HRMS) were used to detect and identify print-related molecules from the food-contact and print surfaces of three different packages with under-cured prints. This approach tentatively identified or confirmed 110 compounds, including 35 print-related molecules. The majority of compounds identified on food-contact surfaces were packaging monomers/byproducts, solvents/plasticisers, antioxidants/degradants or slip agents/lubricants. Of these, 28 showed evidence of set-off. The identities of 16 PIs, seven known scission products and five probable PI degradants were confirmed, most showing signs of set-off. Of the print-related molecules, at least five are novel print contaminants such as 4-morpholin-4-yl-benzaldehyde or 3-phenyl-2-benzofuran-1(3H)-one.\n
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\n \n\n \n \n \n \n \n \n Effect-directed discovery of bioactive compounds followed by highly targeted characterization, isolation and identification, exemplarily shown for Solidago virgaurea.\n \n \n \n \n\n\n \n Móricz, Á. M.; Ott, P. G.; Häbe, T. T.; Darcsi, A.; Böszörmenyi, A.; Alberti, Á.; Kruzselyi, D.; Csontos, P.; Béni, S.; and Morlock, G. E.\n\n\n \n\n\n\n Analytical Chemistry. July 2016.\n \n\n\n\n
\n\n\n\n \n \n \"Effect-directedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{moricz_effect-directed_2016,\n\ttitle = {Effect-directed discovery of bioactive compounds followed by highly targeted characterization, isolation and identification, exemplarily shown for {Solidago} virgaurea},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.analchem.6b02007},\n\tdoi = {10.1021/acs.analchem.6b02007},\n\tabstract = {A non-targeted, effect-directed screening (bioprofiling) and a subsequent highly targeted characterization of antibacterial compounds from plant matrices is demonstrated on the example of Solidago virgaurea root extracts. The procedure comprises high-performance thin-layer chromatography (HPTLC) coupled with six bacterial bioassays including two plant pathogens, a radical scavenging assay, an acetylcholinesterase assay as well as in situ and ex situ mass spectrometric analyses. In situ mass spectra were directly recorded from the adsorbent using the Direct Analysis in Real Time interface (HPTLC-DART-MS), whereas ex situ mass spectra were recorded using an elution head-based interface (HPTLC-ESI-MS). For further bioassay-guided isolation of the main antimicrobial compounds, flash chromatographic fractionation and semi-preparative high-performance liquid chromatographic purification were used and nuclear magnetic resonance data allowed the identification of the unknown antimicrobial compounds as 2Z,8Z- and 2E,8Z-matricaria esters. The discovered antibacterial activity was confirmed and specified by a luminometric assay and as minimal inhibitory concentration in the liquid phase.},\n\tlanguage = {en},\n\turldate = {2016-07-26},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Móricz, Ágnes M. and Ott, Péter G. and Häbe, Tim T. and Darcsi, András and Böszörmenyi, Andrea and Alberti, Ágnes and Kruzselyi, Daniel and Csontos, Péter and Béni, Szabolcs and Morlock, Gertrud Elisabeth},\n\tmonth = jul,\n\tyear = {2016},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n A non-targeted, effect-directed screening (bioprofiling) and a subsequent highly targeted characterization of antibacterial compounds from plant matrices is demonstrated on the example of Solidago virgaurea root extracts. The procedure comprises high-performance thin-layer chromatography (HPTLC) coupled with six bacterial bioassays including two plant pathogens, a radical scavenging assay, an acetylcholinesterase assay as well as in situ and ex situ mass spectrometric analyses. In situ mass spectra were directly recorded from the adsorbent using the Direct Analysis in Real Time interface (HPTLC-DART-MS), whereas ex situ mass spectra were recorded using an elution head-based interface (HPTLC-ESI-MS). For further bioassay-guided isolation of the main antimicrobial compounds, flash chromatographic fractionation and semi-preparative high-performance liquid chromatographic purification were used and nuclear magnetic resonance data allowed the identification of the unknown antimicrobial compounds as 2Z,8Z- and 2E,8Z-matricaria esters. The discovered antibacterial activity was confirmed and specified by a luminometric assay and as minimal inhibitory concentration in the liquid phase.\n
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\n \n\n \n \n \n \n \n \n Characterization of Printing Inks Using DART-Q-TOF-MS and Attenuated Total Reflectance (ATR) FTIR.\n \n \n \n \n\n\n \n Williamson, R.; Raeva, A.; and Almirall, J. R.\n\n\n \n\n\n\n Journal of Forensic Sciences, 61(3): 706–714. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{williamson_characterization_2016,\n\ttitle = {Characterization of {Printing} {Inks} {Using} {DART}-{Q}-{TOF}-{MS} and {Attenuated} {Total} {Reflectance} ({ATR}) {FTIR}},\n\tvolume = {61},\n\tissn = {00221198},\n\turl = {http://doi.wiley.com/10.1111/1556-4029.13107},\n\tdoi = {10.1111/1556-4029.13107},\n\tabstract = {The rise in improved and widely accessible printing technology has resulted in an interest to develop rapid and minimally destructive chemical analytical techniques that can characterize printing inks for forensic document analysis. Chemical characterization of printing inks allows for both discrimination of inks originating from different sources and the association of inks originating from the same source. Direct analysis in real-time mass spectrometry (DART-MS) and attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) were used in tandem to analyze four different classes of printing inks: inkjets, toners, offset, and intaglio. A total of 319 samples or {\\textasciitilde} 80 samples from each class were analyzed directly on a paper substrate using the two methods. DART-MS was found to characterize the semi-volatile polymeric vehicle components, while ATR-FTIR provided chemical information associated with the bulk components of these inks. Complimentary data results in improved discrimination when both techniques are used in succession resulting in {\\textgreater}96\\% discrimination for all toners, 95\\% for all inkjets, {\\textgreater}92\\% for all offset, and {\\textgreater}54\\% for all intaglio inks.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-06-01},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Williamson, Rhett and Raeva, Anna and Almirall, Jose R.},\n\tmonth = may,\n\tyear = {2016},\n\tpages = {706--714},\n}\n\n\n\n
\n
\n\n\n
\n The rise in improved and widely accessible printing technology has resulted in an interest to develop rapid and minimally destructive chemical analytical techniques that can characterize printing inks for forensic document analysis. Chemical characterization of printing inks allows for both discrimination of inks originating from different sources and the association of inks originating from the same source. Direct analysis in real-time mass spectrometry (DART-MS) and attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) were used in tandem to analyze four different classes of printing inks: inkjets, toners, offset, and intaglio. A total of 319 samples or ~ 80 samples from each class were analyzed directly on a paper substrate using the two methods. DART-MS was found to characterize the semi-volatile polymeric vehicle components, while ATR-FTIR provided chemical information associated with the bulk components of these inks. Complimentary data results in improved discrimination when both techniques are used in succession resulting in \\textgreater96% discrimination for all toners, 95% for all inkjets, \\textgreater92% for all offset, and \\textgreater54% for all intaglio inks.\n
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\n \n\n \n \n \n \n \n \n Improved desorption/ionization and ion transmission in surface scanning by direct analysis in real time mass spectrometry: Improved HPTLC/DART-MS surface analysis.\n \n \n \n \n\n\n \n Häbe, T. T.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 30(2): 321–332. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ImprovedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{habe_improved_2016,\n\ttitle = {Improved desorption/ionization and ion transmission in surface scanning by direct analysis in real time mass spectrometry: {Improved} {HPTLC}/{DART}-{MS} surface analysis},\n\tvolume = {30},\n\tissn = {09514198},\n\tshorttitle = {Improved desorption/ionization and ion transmission in surface scanning by direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7434},\n\tdoi = {10.1002/rcm.7434},\n\tabstract = {Rationale Modifications to the Direct Analysis in Real Time mass spectrometry (DART-MS) interface, its source cap and transfer tube were necessary to obtain highest efficiency in desorption and ionization from the sampling surface and in ion transmission into the MS system. These issues are crucial for the trace analysis of any surface and the hyphenation of high-performance thin-layer chromatography (HPTLC) with DART-MS. Methods The ion source mounting was modified to enable short source caps to be utilized in combination with a short transfer tube. The grid voltage contact section was readjusted to increase the intensity of the metastable gas stream towards the substrate. Eighteen different cap and two transfer tube geometries (including gas-stream focusing), along with the influence of their distance from the mass spectrometer glass capillary, were investigated for best signal intensity. Results Using shortened source caps with staged inner bore, a transfer tube with gas-stream focusing and an optimized mounting geometry for DART-MS scanning along five identical deposited bands (600 ng each) of butyl 4-hydroxybenzoate, an average signal precision of 3.6\\% was obtained and the signal intensity was increased by a factor of 34. The width of the gas impact area did not exceed 1.5 mm and the smallest FWHM was determined to be 0.9 mm. Conclusions The desorption strength, ionization efficacy and ion transmission were improved significantly giving increased detectability using this further modified DART-MS interface with reduced cap length and optimum transfer tube geometry. The resolution was comparable with state-of-the-art densitometry. With this setup, reliable HPTLC surface scanning is possible, even for substance amounts in the low-nanogram range.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-01-29},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Häbe, Tim T. and Morlock, Gertrud E.},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {321--332},\n}\n\n\n\n
\n
\n\n\n
\n Rationale Modifications to the Direct Analysis in Real Time mass spectrometry (DART-MS) interface, its source cap and transfer tube were necessary to obtain highest efficiency in desorption and ionization from the sampling surface and in ion transmission into the MS system. These issues are crucial for the trace analysis of any surface and the hyphenation of high-performance thin-layer chromatography (HPTLC) with DART-MS. Methods The ion source mounting was modified to enable short source caps to be utilized in combination with a short transfer tube. The grid voltage contact section was readjusted to increase the intensity of the metastable gas stream towards the substrate. Eighteen different cap and two transfer tube geometries (including gas-stream focusing), along with the influence of their distance from the mass spectrometer glass capillary, were investigated for best signal intensity. Results Using shortened source caps with staged inner bore, a transfer tube with gas-stream focusing and an optimized mounting geometry for DART-MS scanning along five identical deposited bands (600 ng each) of butyl 4-hydroxybenzoate, an average signal precision of 3.6% was obtained and the signal intensity was increased by a factor of 34. The width of the gas impact area did not exceed 1.5 mm and the smallest FWHM was determined to be 0.9 mm. Conclusions The desorption strength, ionization efficacy and ion transmission were improved significantly giving increased detectability using this further modified DART-MS interface with reduced cap length and optimum transfer tube geometry. The resolution was comparable with state-of-the-art densitometry. With this setup, reliable HPTLC surface scanning is possible, even for substance amounts in the low-nanogram range.\n
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\n \n\n \n \n \n \n \n \n Spray Injection Direct Analysis in Real Time (DART) Ionization for Petroleum Analysis.\n \n \n \n \n\n\n \n Ren, L.; Han, Y.; Zhang, Y.; Zhang, Y.; Meng, X.; and Shi, Q.\n\n\n \n\n\n\n Energy & Fuels, 30(6): 4486–4493. June 2016.\n \n\n\n\n
\n\n\n\n \n \n \"SprayPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{ren_spray_2016,\n\ttitle = {Spray {Injection} {Direct} {Analysis} in {Real} {Time} ({DART}) {Ionization} for {Petroleum} {Analysis}},\n\tvolume = {30},\n\tissn = {0887-0624, 1520-5029},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.energyfuels.6b00018},\n\tdoi = {10.1021/acs.energyfuels.6b00018},\n\tabstract = {Negative- and positive-ion direct analysis in real time (DART) ionization coupled to Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) was applied to characterize crude oil and its fractions. Crude oil samples dissolved in toluene were directly infused into a spray needle, which produced a continuous and long-time stable ion current for FT-ICR MS analysis to obtain mass spectra with a broad dynamic range and high signal-to-noise ratio. A comparison between negative-ion electrospray ionization [ESI(−)] and negative-ion DART for crude oil analysis was presented. The DART(−) ionized almost all of the compound classes found in ESI(−), while it exhibited high selectivity on naphthenic acids, which enabled the characterization of naphthenic acids in petroleum with a low total acid number (TAN). The method is suitable for the analysis of naphthenic acids in petroleum distillation cuts, even with a very high boiling point. Sulfides in petroleum were likely oxidized to sulfoxides and exhibited high selectivity in positive-ion DART, indicating that it can potentially be used for the molecular characterization of sulfides in petroleum.},\n\tlanguage = {en},\n\tnumber = {6},\n\turldate = {2016-07-15},\n\tjournal = {Energy \\& Fuels},\n\tauthor = {Ren, Limin and Han, Yehua and Zhang, Yahe and Zhang, Yanfen and Meng, Xianghai and Shi, Quan},\n\tmonth = jun,\n\tyear = {2016},\n\tpages = {4486--4493},\n}\n\n\n\n
\n
\n\n\n
\n Negative- and positive-ion direct analysis in real time (DART) ionization coupled to Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) was applied to characterize crude oil and its fractions. Crude oil samples dissolved in toluene were directly infused into a spray needle, which produced a continuous and long-time stable ion current for FT-ICR MS analysis to obtain mass spectra with a broad dynamic range and high signal-to-noise ratio. A comparison between negative-ion electrospray ionization [ESI(−)] and negative-ion DART for crude oil analysis was presented. The DART(−) ionized almost all of the compound classes found in ESI(−), while it exhibited high selectivity on naphthenic acids, which enabled the characterization of naphthenic acids in petroleum with a low total acid number (TAN). The method is suitable for the analysis of naphthenic acids in petroleum distillation cuts, even with a very high boiling point. Sulfides in petroleum were likely oxidized to sulfoxides and exhibited high selectivity in positive-ion DART, indicating that it can potentially be used for the molecular characterization of sulfides in petroleum.\n
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\n \n\n \n \n \n \n \n \n Detection of Low Molecular Weight Adulterants in Beverages by Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Sisco, E.; and Dake, J. H\n\n\n \n\n\n\n Anal. Methods. 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sisco_detection_2016,\n\ttitle = {Detection of {Low} {Molecular} {Weight} {Adulterants} in {Beverages} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://pubs.rsc.org/en/Content/ArticleLanding/2016/AY/C6AY00292G},\n\tdoi = {10.1039/C6AY00292G},\n\tabstract = {Direct Analysis in Real Time Mass Spectrometry (DART-MS) has been used to detect the presence of non-narcotic adulterants in beverages. The non-narcotic adulterants that were examined in this work incorporated a number low molecular weight alcohols, acetone, ammonium hydroxide, and sodium hypochlorite. Analysis of the adulterants was completed by pipetting 1 µL deposits onto glass microcapillaries along with an appropriate dopant species followed by introduction into the DART gas stream. It was found that detection of these compounds in the complex matrices of common beverages (soda, energy drinks, etc.) was simplified through the use of a dopant species to allow for adduct formation with the desired compound(s) of interest. Other parameters that were investigated included DART gas stream temperature, in source collision induced dissociation, ion polarity, and DART needle voltage. Sensitivities of the technique were found to range from 0.001 \\% volume fraction to 0.1 \\% volume fraction, comparable to traditional analyses completed using headspace gas chromatography mass spectrometry (HS-GC/MS). Once a method was established using aqueous solutions, , fifteen beverages were spiked with each of the nine adulterants, to simulate real world detection, and in nearly all cases the adulterant could be detected either in pure form, or complexed with the added dopant species. This technique provides a rapid way to directly analyze beverages believed to be contaminated with non-narcotic adulterants at sensitivities similar to or exceeding those of traditional confirmatory analyses.},\n\tlanguage = {en},\n\turldate = {2016-03-22},\n\tjournal = {Anal. Methods},\n\tauthor = {Sisco, Edward and Dake, Jeffrey H},\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time Mass Spectrometry (DART-MS) has been used to detect the presence of non-narcotic adulterants in beverages. The non-narcotic adulterants that were examined in this work incorporated a number low molecular weight alcohols, acetone, ammonium hydroxide, and sodium hypochlorite. Analysis of the adulterants was completed by pipetting 1 µL deposits onto glass microcapillaries along with an appropriate dopant species followed by introduction into the DART gas stream. It was found that detection of these compounds in the complex matrices of common beverages (soda, energy drinks, etc.) was simplified through the use of a dopant species to allow for adduct formation with the desired compound(s) of interest. Other parameters that were investigated included DART gas stream temperature, in source collision induced dissociation, ion polarity, and DART needle voltage. Sensitivities of the technique were found to range from 0.001 % volume fraction to 0.1 % volume fraction, comparable to traditional analyses completed using headspace gas chromatography mass spectrometry (HS-GC/MS). Once a method was established using aqueous solutions, , fifteen beverages were spiked with each of the nine adulterants, to simulate real world detection, and in nearly all cases the adulterant could be detected either in pure form, or complexed with the added dopant species. This technique provides a rapid way to directly analyze beverages believed to be contaminated with non-narcotic adulterants at sensitivities similar to or exceeding those of traditional confirmatory analyses.\n
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\n \n\n \n \n \n \n \n \n Humidity Effects on Fragmentation in Plasma-Based Ambient Ionization Sources.\n \n \n \n \n\n\n \n Newsome, G. A.; Ackerman, L. K.; and Johnson, K. J.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 27(1): 135–143. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"HumidityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{newsome_humidity_2016,\n\ttitle = {Humidity {Effects} on {Fragmentation} in {Plasma}-{Based} {Ambient} {Ionization} {Sources}},\n\tvolume = {27},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-015-1259-y},\n\tdoi = {10.1007/s13361-015-1259-y},\n\tabstract = {Post-plasma ambient desorption/ionization (ADI) sources are fundamentally dependent on surrounding water vapor to produce protonated analyte ions. There are two reports of humidity effects on ADI spectra. However, it is unclear whether humidity will affect all ADI sources and analytes, and by what mechanism humidity affects spectra. Flowing atmospheric pressure afterglow (FAPA) ionization and direct analysis in real time (DART) mass spectra of various surface-deposited and gas-phase analytes were acquired at ambient temperature and pressure across a range of observed humidity values. A controlled humidity enclosure around the ion source and mass spectrometer inlet was used to create programmed humidity and temperatures. The relative abundance and fragmentation of molecular adduct ions for several compounds consistently varied with changing ambient humidity and also were controlled with the humidity enclosure. For several compounds, increasing humidity decreased protonated molecule and other molecular adduct ion fragmentation in both FAPA and DART spectra. For others, humidity increased fragment ion ratios. The effects of humidity on molecular adduct ion fragmentation were caused by changes in the relative abundances of different reagent protonated water clusters and, thus, a change in the average difference in proton affinity between an analyte and the population of water clusters. Control of humidity in ambient post-plasma ion sources is needed to create spectral stability and reproducibility.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-29},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Newsome, G. Asher and Ackerman, Luke K. and Johnson, Kevin J.},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {135--143},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Post-plasma ambient desorption/ionization (ADI) sources are fundamentally dependent on surrounding water vapor to produce protonated analyte ions. There are two reports of humidity effects on ADI spectra. However, it is unclear whether humidity will affect all ADI sources and analytes, and by what mechanism humidity affects spectra. Flowing atmospheric pressure afterglow (FAPA) ionization and direct analysis in real time (DART) mass spectra of various surface-deposited and gas-phase analytes were acquired at ambient temperature and pressure across a range of observed humidity values. A controlled humidity enclosure around the ion source and mass spectrometer inlet was used to create programmed humidity and temperatures. The relative abundance and fragmentation of molecular adduct ions for several compounds consistently varied with changing ambient humidity and also were controlled with the humidity enclosure. For several compounds, increasing humidity decreased protonated molecule and other molecular adduct ion fragmentation in both FAPA and DART spectra. For others, humidity increased fragment ion ratios. The effects of humidity on molecular adduct ion fragmentation were caused by changes in the relative abundances of different reagent protonated water clusters and, thus, a change in the average difference in proton affinity between an analyte and the population of water clusters. Control of humidity in ambient post-plasma ion sources is needed to create spectral stability and reproducibility.\n
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\n \n\n \n \n \n \n \n \n Detection of polydimethylsiloxanes transferred from silicone-coated parchment paper to baked goods using direct analysis in real time mass spectrometry: DART detects silicone on food baked on parchment.\n \n \n \n \n\n\n \n Jakob, A.; Crawford, E. A.; and Gross, J. H.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 51(4): 298–304. April 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jakob_detection_2016,\n\ttitle = {Detection of polydimethylsiloxanes transferred from silicone-coated parchment paper to baked goods using direct analysis in real time mass spectrometry: {DART} detects silicone on food baked on parchment},\n\tvolume = {51},\n\tissn = {10765174},\n\tshorttitle = {Detection of polydimethylsiloxanes transferred from silicone-coated parchment paper to baked goods using direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/jms.3757},\n\tdoi = {10.1002/jms.3757},\n\tabstract = {The non-stick properties of parchment papers are achieved by polydimethylsiloxane (PDMS) coatings. During baking, PDMS can\nthus be extracted from the silicone-coated parchment into the baked goods. Positive-ion direct analysis in real time (DART) mass\nspectrometry (MS) is highly efficient for the analysis of PDMS. A DART-SVP sourcewas coupled to a quadrupole-time-of-flightmass\nspectrometer to detect PDMS on the contact surface of baked goods after use of silicone-coated parchment papers. DART spectra\nfrom the bottom surface of baked cookies and pizzas exhibited signals because of PDMS ions of the general formula\n[(C2H6SiO)n+NH4]+ in the m/z 800–1900 range.},\n\tlanguage = {en},\n\tnumber = {4},\n\turldate = {2016-04-26},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Jakob, Andreas and Crawford, Elizabeth A. and Gross, Jürgen H.},\n\tmonth = apr,\n\tyear = {2016},\n\tpages = {298--304},\n}\n\n\n\n
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\n The non-stick properties of parchment papers are achieved by polydimethylsiloxane (PDMS) coatings. During baking, PDMS can thus be extracted from the silicone-coated parchment into the baked goods. Positive-ion direct analysis in real time (DART) mass spectrometry (MS) is highly efficient for the analysis of PDMS. A DART-SVP sourcewas coupled to a quadrupole-time-of-flightmass spectrometer to detect PDMS on the contact surface of baked goods after use of silicone-coated parchment papers. DART spectra from the bottom surface of baked cookies and pizzas exhibited signals because of PDMS ions of the general formula [(C2H6SiO)n+NH4]+ in the m/z 800–1900 range.\n
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\n \n\n \n \n \n \n \n \n Rapid screening and determination of 11 new psychoactive substances by direct analysis in real time mass spectrometry and liquid chromatography/quadrupole time-of-flight mass spectrometry: Rapid screening and determination of 11 new psychoactive substances.\n \n \n \n \n\n\n \n Nie, H.; Li, X.; Hua, Z.; Pan, W.; Bai, Y.; and Fu, X.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 30: 141–146. August 2016.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{nie_rapid_2016,\n\ttitle = {Rapid screening and determination of 11 new psychoactive substances by direct analysis in real time mass spectrometry and liquid chromatography/quadrupole time-of-flight mass spectrometry: {Rapid} screening and determination of 11 new psychoactive substances},\n\tvolume = {30},\n\tissn = {09514198},\n\tshorttitle = {Rapid screening and determination of 11 new psychoactive substances by direct analysis in real time mass spectrometry and liquid chromatography/quadrupole time-of-flight mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7629},\n\tdoi = {10.1002/rcm.7629},\n\tabstract = {Rationale: With the amounts and types of new psychoactive substances (NPSs) increasing rapidly in recent years, an excellent high-throughput method for the analysis of these compounds is urgently needed. In this article, a rapid screening method and a quantitative analysis method for 11 NPSs are described and compared, respectively. Method: A simple direct analysis in real time mass spectrometry (DART-MS) method was developed for the analysis of 11 NPSs including three categories of these substances present on the global market such as four cathinones, one phenylethylamine, and six synthetic cannabinoids. In order to analyze these compounds quantitatively with better accuracy and sensitivity, another rapid analytical method with a low limit of detection (LOD) was also developed using liquid chromatography/electrospray ionization quadrupole time-of-flight mass spectrometry (LC/QTOFMS). Results: The 11 NPSs could be determined within 0.5 min by DART-MS. Furthermore, they could also be separated and determined within 5 min by the LC/QTOFMS method. The two methods both showed good linearity with correlation coefficients (r2) higher than 0.99. The LODs for all these target NPSs by DART-MS and LC/QTOFMS ranged from 5 to 40 ng mL−1 and 0.1 to 1 ng mL−1, respectively. Confiscated samples, named as “music vanilla” and “bath salt”, and 11 spiked samples were firstly screened by DART-MS and then determined by LC/QTOFMS. Conclusions: The identification of NPSs in confiscated materials was successfully achieved, and the proposed analytical methodology could offer rapid screening and accurate analysis results.},\n\tlanguage = {en},\n\turldate = {2016-09-30},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Nie, Honggang and Li, Xianjiang and Hua, Zhendong and Pan, Wei and Bai, Yanping and Fu, Xiaofang},\n\tmonth = aug,\n\tyear = {2016},\n\tpages = {141--146},\n}\n\n\n\n
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\n Rationale: With the amounts and types of new psychoactive substances (NPSs) increasing rapidly in recent years, an excellent high-throughput method for the analysis of these compounds is urgently needed. In this article, a rapid screening method and a quantitative analysis method for 11 NPSs are described and compared, respectively. Method: A simple direct analysis in real time mass spectrometry (DART-MS) method was developed for the analysis of 11 NPSs including three categories of these substances present on the global market such as four cathinones, one phenylethylamine, and six synthetic cannabinoids. In order to analyze these compounds quantitatively with better accuracy and sensitivity, another rapid analytical method with a low limit of detection (LOD) was also developed using liquid chromatography/electrospray ionization quadrupole time-of-flight mass spectrometry (LC/QTOFMS). Results: The 11 NPSs could be determined within 0.5 min by DART-MS. Furthermore, they could also be separated and determined within 5 min by the LC/QTOFMS method. The two methods both showed good linearity with correlation coefficients (r2) higher than 0.99. The LODs for all these target NPSs by DART-MS and LC/QTOFMS ranged from 5 to 40 ng mL−1 and 0.1 to 1 ng mL−1, respectively. Confiscated samples, named as “music vanilla” and “bath salt”, and 11 spiked samples were firstly screened by DART-MS and then determined by LC/QTOFMS. Conclusions: The identification of NPSs in confiscated materials was successfully achieved, and the proposed analytical methodology could offer rapid screening and accurate analysis results.\n
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\n \n\n \n \n \n \n \n \n Use of Ambient Ionization High-Resolution Mass Spectrometry for the Kinetic Analysis of Organic Surface Reactions.\n \n \n \n \n\n\n \n Sen, R.; Escorihuela, J.; Smulders, M. M. J.; and Zuilhof, H.\n\n\n \n\n\n\n Langmuir, 32(14): 3412–3419. April 2016.\n \n\n\n\n
\n\n\n\n \n \n \"UsePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sen_use_2016,\n\ttitle = {Use of {Ambient} {Ionization} {High}-{Resolution} {Mass} {Spectrometry} for the {Kinetic} {Analysis} of {Organic} {Surface} {Reactions}},\n\tvolume = {32},\n\tissn = {0743-7463, 1520-5827},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.langmuir.6b00427},\n\tdoi = {10.1021/acs.langmuir.6b00427},\n\tabstract = {In contrast to homogeneous systems, studying the kinetics of organic reactions on solid surfaces remains a difficult task due to the limited availability of appropriate analysis techniques that are general, high-throughput, and capable of offering quantitative, structural surface information. Here, we demonstrate how direct analysis in real time mass spectrometry (DART-MS) complies with above considerations and can be used for determining interfacial kinetic parameters. The presented approach is based on the use of a MS tag that - in principle - allows application to other reactions. To show the potential of DART-MS, we selected the widely applied strain-promoted alkyne-azide cycloaddition (SPAAC) as a model reaction to elucidate the effects of the nanoenvironment on the interfacial reaction rate.},\n\tlanguage = {en},\n\tnumber = {14},\n\turldate = {2016-06-01},\n\tjournal = {Langmuir},\n\tauthor = {Sen, Rickdeb and Escorihuela, Jorge and Smulders, Maarten M. J. and Zuilhof, Han},\n\tmonth = apr,\n\tyear = {2016},\n\tpages = {3412--3419},\n}\n\n\n\n
\n
\n\n\n
\n In contrast to homogeneous systems, studying the kinetics of organic reactions on solid surfaces remains a difficult task due to the limited availability of appropriate analysis techniques that are general, high-throughput, and capable of offering quantitative, structural surface information. Here, we demonstrate how direct analysis in real time mass spectrometry (DART-MS) complies with above considerations and can be used for determining interfacial kinetic parameters. The presented approach is based on the use of a MS tag that - in principle - allows application to other reactions. To show the potential of DART-MS, we selected the widely applied strain-promoted alkyne-azide cycloaddition (SPAAC) as a model reaction to elucidate the effects of the nanoenvironment on the interfacial reaction rate.\n
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\n \n\n \n \n \n \n \n \n Characterization of the oxidation products of Shengli lignite using mass spectrometers with “hard”, “soft” and ambient ion sources.\n \n \n \n \n\n\n \n Wang, M.; Fan, X.; Wei, X.; Cao, J.; Zhao, Y.; Wang, S.; Wang, C.; and Wang, R.\n\n\n \n\n\n\n Fuel, 183: 115–122. November 2016.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_characterization_2016,\n\ttitle = {Characterization of the oxidation products of {Shengli} lignite using mass spectrometers with “hard”, “soft” and ambient ion sources},\n\tvolume = {183},\n\tissn = {00162361},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0016236116304641},\n\tdoi = {10.1016/j.fuel.2016.06.012},\n\tabstract = {Shengli lignite (SL) was oxidized and depolymerized in aqueous sodium hypochlorite under mild conditions followed by sequential extraction with ethoxyethane and ethyl acetate. The extracts were analyzed by Fourier transform infrared spectroscopy, gas chromatograph/mass spectrometry (GC/MS), time-of-flight mass spectrometry (TOF-MS) equipped with electrospray ionization (ESI), and direct analysis in real time (DART) to understand the structural features of SL. In total, 130, 272, and 818 compounds were identified by GC/MS, ESI-MS, and DART-MS, respectively, and the corresponding molecular mass distributions are between 70 and 322, 114 and 664, 113 and 753 u, respectively. GC/MS detected molecules with low molecular mass and polarity, and the major species include aliphatic acids, benzene polycarboxylic acids, chloro-substituted species and nitrogen-containing compounds. A large number of heteroatom-containing compounds (oxygen, nitrogen and sulfur) with relatively high molecular mass and unsaturation degree were determined using ESI-MS. As an ambient ionization technique, DART speeded up the analysis time with little or no sample pretreatment. Compared to the other two MS techniques, DART-MS broadened the measurement range, and OxN5, and OxN6 classes were only detected by DART-MS.},\n\tlanguage = {en},\n\turldate = {2016-08-18},\n\tjournal = {Fuel},\n\tauthor = {Wang, Miao and Fan, Xing and Wei, Xian-Yong and Cao, Jing-Pei and Zhao, Yun-Peng and Wang, Shou-Ze and Wang, Chu-Fan and Wang, Rui-Yu},\n\tmonth = nov,\n\tyear = {2016},\n\tpages = {115--122},\n}\n\n\n\n
\n
\n\n\n
\n Shengli lignite (SL) was oxidized and depolymerized in aqueous sodium hypochlorite under mild conditions followed by sequential extraction with ethoxyethane and ethyl acetate. The extracts were analyzed by Fourier transform infrared spectroscopy, gas chromatograph/mass spectrometry (GC/MS), time-of-flight mass spectrometry (TOF-MS) equipped with electrospray ionization (ESI), and direct analysis in real time (DART) to understand the structural features of SL. In total, 130, 272, and 818 compounds were identified by GC/MS, ESI-MS, and DART-MS, respectively, and the corresponding molecular mass distributions are between 70 and 322, 114 and 664, 113 and 753 u, respectively. GC/MS detected molecules with low molecular mass and polarity, and the major species include aliphatic acids, benzene polycarboxylic acids, chloro-substituted species and nitrogen-containing compounds. A large number of heteroatom-containing compounds (oxygen, nitrogen and sulfur) with relatively high molecular mass and unsaturation degree were determined using ESI-MS. As an ambient ionization technique, DART speeded up the analysis time with little or no sample pretreatment. Compared to the other two MS techniques, DART-MS broadened the measurement range, and OxN5, and OxN6 classes were only detected by DART-MS.\n
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\n \n\n \n \n \n \n \n \n Chemometric brand differentiation of commercial spices using direct analysis in real time mass spectrometry: Chemometric differentiation of commercial spices using DART-MS.\n \n \n \n \n\n\n \n Pavlovich, M. J.; Dunn, E. E.; and Hall, A. B.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 30(9): 1123–1130. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ChemometricPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{pavlovich_chemometric_2016,\n\ttitle = {Chemometric brand differentiation of commercial spices using direct analysis in real time mass spectrometry: {Chemometric} differentiation of commercial spices using {DART}-{MS}},\n\tvolume = {30},\n\tissn = {09514198},\n\tshorttitle = {Chemometric brand differentiation of commercial spices using direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7536},\n\tdoi = {10.1002/rcm.7536},\n\tabstract = {Rationale Commercial spices represent an emerging class of fuels for improvised explosives. Being able to classify such spices not only by type but also by brand would represent an important step in developing methods to analytically investigate these explosive compositions. Therefore, a combined ambient mass spectrometric/chemometric approach was developed to quickly and accurately classify commercial spices by brand. Methods Direct analysis in real time mass spectrometry (DART-MS) was used to generate mass spectra for samples of black pepper, cayenne pepper, and turmeric, along with four different brands of cinnamon, all dissolved in methanol. Unsupervised learning techniques showed that the cinnamon samples clustered according to brand. Then, we used supervised machine learning algorithms to build chemometric models with a known training set and classified the brands of an unknown testing set of cinnamon samples. Results Ten independent runs of five-fold cross-validation showed that the training set error for the best-performing models (i.e., the linear discriminant and neural network models) was lower than 2\\%. The false-positive percentages for these models were 3\\% or lower, and the false-negative percentages were lower than 10\\%. In particular, the linear discriminant model perfectly classified the testing set with 0\\% error. Repeated iterations of training and testing gave similar results, demonstrating the reproducibility of these models. Conclusions Chemometric models were able to classify the DART mass spectra of commercial cinnamon samples according to brand, with high specificity and low classification error. This method could easily be generalized to other classes of spices, and it could be applied to authenticating questioned commercial samples of spices or to examining evidence from improvised explosives.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-05-24},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Pavlovich, Matthew J. and Dunn, Emily E. and Hall, Adam B.},\n\tmonth = may,\n\tyear = {2016},\n\tpages = {1123--1130},\n}\n\n\n\n
\n
\n\n\n
\n Rationale Commercial spices represent an emerging class of fuels for improvised explosives. Being able to classify such spices not only by type but also by brand would represent an important step in developing methods to analytically investigate these explosive compositions. Therefore, a combined ambient mass spectrometric/chemometric approach was developed to quickly and accurately classify commercial spices by brand. Methods Direct analysis in real time mass spectrometry (DART-MS) was used to generate mass spectra for samples of black pepper, cayenne pepper, and turmeric, along with four different brands of cinnamon, all dissolved in methanol. Unsupervised learning techniques showed that the cinnamon samples clustered according to brand. Then, we used supervised machine learning algorithms to build chemometric models with a known training set and classified the brands of an unknown testing set of cinnamon samples. Results Ten independent runs of five-fold cross-validation showed that the training set error for the best-performing models (i.e., the linear discriminant and neural network models) was lower than 2%. The false-positive percentages for these models were 3% or lower, and the false-negative percentages were lower than 10%. In particular, the linear discriminant model perfectly classified the testing set with 0% error. Repeated iterations of training and testing gave similar results, demonstrating the reproducibility of these models. Conclusions Chemometric models were able to classify the DART mass spectra of commercial cinnamon samples according to brand, with high specificity and low classification error. This method could easily be generalized to other classes of spices, and it could be applied to authenticating questioned commercial samples of spices or to examining evidence from improvised explosives.\n
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\n \n\n \n \n \n \n \n \n Alternative mass reference standards for direct analysis in real time mass spectrometry: Alternative mass reference standards for DART-MS.\n \n \n \n \n\n\n \n Cody, R. B.; and Dane, A. J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 30(10): 1206–1212. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"AlternativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cody_alternative_2016,\n\ttitle = {Alternative mass reference standards for direct analysis in real time mass spectrometry: {Alternative} mass reference standards for {DART}-{MS}},\n\tvolume = {30},\n\tissn = {09514198},\n\tshorttitle = {Alternative mass reference standards for direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7554},\n\tdoi = {10.1002/rcm.7554},\n\tabstract = {Rationale\nMass spectra were acquired with the Direct Analysis in Real Time (DART®) ion source for an amine-terminated polyether used as positive-ion mass reference standards and for several fluorinated materials commonly used as negative-ion reference standards for mass spectrometry.\nMethods\nA commercial time-of-flight mass spectrometer equipped with a DART ion source was used for all measurements. Mass reference standards deposited onto the sealed end of a glass melting point tube were suspended in the DART gas stream for analysis.\nResults\nA polyetheramine (Jeffamine® M-600) produced intense peaks corresponding to protonated molecules. Perfluorotributylamine (PFTBA), and perfluorotripentylamine, gave useful reference spectra for different m/z ranges. DART mass spectra of Ultramark 1621® resembled those previously reported for Fast Atom Bombardment (FAB) and Electrospray Ionization (ESI). Fomblin®Y, a fluorinated ether, was the most useful negative-ion reference standard of the materials tested. The material is commercially available, inexpensive, and provides reference peaks covering the m/z range 85 to {\\textgreater}3000.\nConclusions\nJeffamine-M600 was found to be a convenient alternative to polyethers such as polyethylene glycol (PEG) for DART positive-ion mass calibration. Fomblin Y was suitable for use as a negative-ion reference standard.},\n\tlanguage = {en},\n\tnumber = {10},\n\turldate = {2016-07-15},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Cody, Robert B. and Dane, A. John},\n\tmonth = may,\n\tyear = {2016},\n\tpages = {1206--1212},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Rationale Mass spectra were acquired with the Direct Analysis in Real Time (DART®) ion source for an amine-terminated polyether used as positive-ion mass reference standards and for several fluorinated materials commonly used as negative-ion reference standards for mass spectrometry. Methods A commercial time-of-flight mass spectrometer equipped with a DART ion source was used for all measurements. Mass reference standards deposited onto the sealed end of a glass melting point tube were suspended in the DART gas stream for analysis. Results A polyetheramine (Jeffamine® M-600) produced intense peaks corresponding to protonated molecules. Perfluorotributylamine (PFTBA), and perfluorotripentylamine, gave useful reference spectra for different m/z ranges. DART mass spectra of Ultramark 1621® resembled those previously reported for Fast Atom Bombardment (FAB) and Electrospray Ionization (ESI). Fomblin®Y, a fluorinated ether, was the most useful negative-ion reference standard of the materials tested. The material is commercially available, inexpensive, and provides reference peaks covering the m/z range 85 to \\textgreater3000. Conclusions Jeffamine-M600 was found to be a convenient alternative to polyethers such as polyethylene glycol (PEG) for DART positive-ion mass calibration. Fomblin Y was suitable for use as a negative-ion reference standard.\n
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\n \n\n \n \n \n \n \n \n Monolith dip-it: a bifunctional device for improving the sensitivity of direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Li, X.; Li, Z.; Wang, X.; Nie, H.; Zhang, Y.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n The Analyst. 2016.\n \n\n\n\n
\n\n\n\n \n \n \"MonolithPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_monolith_2016,\n\ttitle = {Monolith dip-it: a bifunctional device for improving the sensitivity of direct analysis in real time mass spectrometry},\n\tissn = {0003-2654, 1364-5528},\n\tshorttitle = {Monolith dip-it},\n\turl = {http://xlink.rsc.org/?DOI=C6AN00839A},\n\tdoi = {10.1039/C6AN00839A},\n\tabstract = {A bifunctional monolith dip-it was fabricated and applied for improving the sensitivity of direct analysis in real time mass spectrometry (DART-MS). This monolith dip-it device was prepared by in situ polymerization of poly(BMA–EDMA–MAA) monolith in the glass capillary of dip-it. As a solid-phase microextraction (SPME) device, it showed strong affinity to four Sudan dyes through hydrophilic interaction and hydrogen bond interaction. As a sample loading device, it could be directly analyzed by DART-MS without organic solvent elution or laser desorption. As a result, this device is environmentally friendly, and used for fast analysis. Under optimized conditions, the limits of detection for four analytes were 5–10 ng mL−1 and the linear ranges covered more than two orders of magnitude. Finally, the developed method has been applied for the analysis of chili powder and the recoveries for spiked analytes were in the range of 83.2\\% to 115.1\\% demonstrating that this device is an efficient sampler for DART-MS analysis and the proposed method could find more applications in different areas like food analysis.},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {The Analyst},\n\tauthor = {Li, Xianjiang and Li, Ze and Wang, Xin and Nie, Honggang and Zhang, Yiding and Bai, Yu and Liu, Huwei},\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n A bifunctional monolith dip-it was fabricated and applied for improving the sensitivity of direct analysis in real time mass spectrometry (DART-MS). This monolith dip-it device was prepared by in situ polymerization of poly(BMA–EDMA–MAA) monolith in the glass capillary of dip-it. As a solid-phase microextraction (SPME) device, it showed strong affinity to four Sudan dyes through hydrophilic interaction and hydrogen bond interaction. As a sample loading device, it could be directly analyzed by DART-MS without organic solvent elution or laser desorption. As a result, this device is environmentally friendly, and used for fast analysis. Under optimized conditions, the limits of detection for four analytes were 5–10 ng mL−1 and the linear ranges covered more than two orders of magnitude. Finally, the developed method has been applied for the analysis of chili powder and the recoveries for spiked analytes were in the range of 83.2% to 115.1% demonstrating that this device is an efficient sampler for DART-MS analysis and the proposed method could find more applications in different areas like food analysis.\n
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\n \n\n \n \n \n \n \n \n Dopant-assisted direct analysis in real time mass spectrometry with argon gas: Dopant-assisted DART-MS with argon gas.\n \n \n \n \n\n\n \n Cody, R. B.; and Dane, A. J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 30(10): 1181–1189. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"Dopant-assistedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cody_dopant-assisted_2016,\n\ttitle = {Dopant-assisted direct analysis in real time mass spectrometry with argon gas: {Dopant}-assisted {DART}-{MS} with argon gas},\n\tvolume = {30},\n\tissn = {09514198},\n\tshorttitle = {Dopant-assisted direct analysis in real time mass spectrometry with argon gas},\n\turl = {http://doi.wiley.com/10.1002/rcm.7552},\n\tdoi = {10.1002/rcm.7552},\n\tabstract = {Rationale\nDopants used with Atmospheric Pressure Photoionization (APPI) were examined with the Direct Analysis in Real Time (DART®) ion source operated with argon gas. Charge-exchange and proton transfer reactions were observed by adding toluene, anisole, chlorobenzene and acetone to the DART gas stream, complementing the information obtained by helium DART.\nMethods\nMass spectra were acquired with a time-of-flight mass spectrometer equipped with a DART ion source operated with argon gas. A syringe pump was used to introduce dopants directly into the DART gas stream through deactivated fused-silica capillary tubing. Samples including polycyclic aromatic hydrocarbons (PAHs), diesel fuel, trinitrotoluene and cannabinoids were deposited onto the sealed end of melting tube, allowed to dry, and the tube was then suspended in the dopant-enhanced DART gas stream.\nResults\nPAHs could be detected as molecular ions at concentrations in the low parts-per-billion range by using a solution of 0.5\\% anisole in toluene as a dopant. Argon DART analysis of a diesel fuel sample with the same dopant mixture showed a simpler mass spectrum than obtained by using helium DART. The argon DART mass spectrum was dominated by molecular ions for aromatic compounds, whereas the helium DART mass spectrum showed both molecular ions and protonated molecules. In contrast O2– attachment DART showed saturated hydrocarbons and oxygen-containing species. Mass spectra for trinitrotoluene with argon DART in negative-ion mode showed a prominent [M – H]– peak, whereas conventional helium DART showed both M– and [M – H]–. Lastly, in analogy to a report in the literature using APPI, positive ions produced by argon DART ionization for delta-9-tetrahydrocannabinol (THC) and cannabidiol showed distinctive product-ion mass spectra.\nConclusions\nDopant-assisted argon DART operates by a mechanism that is analogous to those proposed for dopant-assisted atmospheric-pressure photoionization.},\n\tlanguage = {en},\n\tnumber = {10},\n\turldate = {2016-07-14},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Cody, Robert B. and Dane, A. John},\n\tmonth = may,\n\tyear = {2016},\n\tpages = {1181--1189},\n}\n\n\n\n
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\n Rationale Dopants used with Atmospheric Pressure Photoionization (APPI) were examined with the Direct Analysis in Real Time (DART®) ion source operated with argon gas. Charge-exchange and proton transfer reactions were observed by adding toluene, anisole, chlorobenzene and acetone to the DART gas stream, complementing the information obtained by helium DART. Methods Mass spectra were acquired with a time-of-flight mass spectrometer equipped with a DART ion source operated with argon gas. A syringe pump was used to introduce dopants directly into the DART gas stream through deactivated fused-silica capillary tubing. Samples including polycyclic aromatic hydrocarbons (PAHs), diesel fuel, trinitrotoluene and cannabinoids were deposited onto the sealed end of melting tube, allowed to dry, and the tube was then suspended in the dopant-enhanced DART gas stream. Results PAHs could be detected as molecular ions at concentrations in the low parts-per-billion range by using a solution of 0.5% anisole in toluene as a dopant. Argon DART analysis of a diesel fuel sample with the same dopant mixture showed a simpler mass spectrum than obtained by using helium DART. The argon DART mass spectrum was dominated by molecular ions for aromatic compounds, whereas the helium DART mass spectrum showed both molecular ions and protonated molecules. In contrast O2– attachment DART showed saturated hydrocarbons and oxygen-containing species. Mass spectra for trinitrotoluene with argon DART in negative-ion mode showed a prominent [M – H]– peak, whereas conventional helium DART showed both M– and [M – H]–. Lastly, in analogy to a report in the literature using APPI, positive ions produced by argon DART ionization for delta-9-tetrahydrocannabinol (THC) and cannabidiol showed distinctive product-ion mass spectra. Conclusions Dopant-assisted argon DART operates by a mechanism that is analogous to those proposed for dopant-assisted atmospheric-pressure photoionization.\n
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\n \n\n \n \n \n \n \n \n Solid Phase Mesh Enhanced Sorption from Headspace (SPMESH) coupled to DART-MS for rapid quantification of trace-level volatiles.\n \n \n \n \n\n\n \n Jastrzembski, J. A.; and Sacks, G. L.\n\n\n \n\n\n\n Analytical Chemistry. August 2016.\n \n\n\n\n
\n\n\n\n \n \n \"SolidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jastrzembski_solid_2016,\n\ttitle = {Solid {Phase} {Mesh} {Enhanced} {Sorption} from {Headspace} ({SPMESH}) coupled to {DART}-{MS} for rapid quantification of trace-level volatiles},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.analchem.6b01787},\n\tdoi = {10.1021/acs.analchem.6b01787},\n\tabstract = {Quantitation of trace-level (µg/L to ng/L) volatile compounds is routinely performed in a broad range of applications, including analyses of odorants, pesticide residues, or toxins in foodstuffs and related matrices. Conventional analyses based on gas chromatography-mass spectrometry (GC-MS) are limited by low throughput, and ambient approaches to sample introduction have typically had poor sensitivity. We prepared polydimethylsiloxane coated stainless steel meshes for extraction and pre-concentration of volatiles (Solid Phase Mesh Enhanced Sorption from Headspace, SPMESH), which could then be analyzed by Direct Analysis in Real Time (DART)-MS. The SPMESH cards were characterized by electron microscopy, and figures of merit for the approach were determined using two rep-resentative volatiles: 2-isobutyl-3-methoxypyrazine (IBMP) and linalool. Using DART-MS/MS and isotopically labelled internal standards, we achieved detection limits of 21 ng/L and 71 µg/L for IBMP and linalool in water. Good accuracy and precision could also be achieved for IBMP spikes in grape macerate, although accuracy for linalool was compro-mised by the presence of interferences. Detection limits could be further improved by an order of magnitude through use of high resolution (HR) MS. Because extraction can be performed inexpensively in parallel and because it requires short data acquisition times ({\\textless}1 min) SPMESH-DART-MS may be appropriate for high throughput trace level volatile analyses.},\n\tlanguage = {en},\n\turldate = {2016-08-08},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Jastrzembski, Jillian A. and Sacks, Gavin L.},\n\tmonth = aug,\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n Quantitation of trace-level (µg/L to ng/L) volatile compounds is routinely performed in a broad range of applications, including analyses of odorants, pesticide residues, or toxins in foodstuffs and related matrices. Conventional analyses based on gas chromatography-mass spectrometry (GC-MS) are limited by low throughput, and ambient approaches to sample introduction have typically had poor sensitivity. We prepared polydimethylsiloxane coated stainless steel meshes for extraction and pre-concentration of volatiles (Solid Phase Mesh Enhanced Sorption from Headspace, SPMESH), which could then be analyzed by Direct Analysis in Real Time (DART)-MS. The SPMESH cards were characterized by electron microscopy, and figures of merit for the approach were determined using two rep-resentative volatiles: 2-isobutyl-3-methoxypyrazine (IBMP) and linalool. Using DART-MS/MS and isotopically labelled internal standards, we achieved detection limits of 21 ng/L and 71 µg/L for IBMP and linalool in water. Good accuracy and precision could also be achieved for IBMP spikes in grape macerate, although accuracy for linalool was compro-mised by the presence of interferences. Detection limits could be further improved by an order of magnitude through use of high resolution (HR) MS. Because extraction can be performed inexpensively in parallel and because it requires short data acquisition times (\\textless1 min) SPMESH-DART-MS may be appropriate for high throughput trace level volatile analyses.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n DART – LTQ ORBITRAP as an expedient tool for the identification of synthetic cannabinoids.\n \n \n \n \n\n\n \n Habala, L.; Valentová, J.; Pechová, I.; Fuknová, M.; and Devínsky, F.\n\n\n \n\n\n\n Legal Medicine, 20: 27–31. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{habala_dart_2016,\n\ttitle = {{DART} – {LTQ} {ORBITRAP} as an expedient tool for the identification of synthetic cannabinoids},\n\tvolume = {20},\n\tissn = {13446223},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1344622316300219},\n\tdoi = {10.1016/j.legalmed.2016.03.006},\n\tabstract = {Synthetic cannabinoids as designer drugs constitute a major problem due to their rapid increase in number and the difficulties connected with their identification in complex mixtures. DART (Direct Analysis in Real Time) has emerged as an advantageous tool for the direct and rapid analysis of complex samples by mass spectrometry. Here we report on the identification of six synthetic cannabinoids originating from seized material in various matrices, employing the combination of ambient pressure ion source DART and hybrid ion trap - LTQ ORBITRAP mass spectrometer. This report also describes the sampling techniques for the provided herbal material containing the cannabinoids, either directly as plant parts or as an extract in methanol and their influence on the outcome of the analysis. The high resolution mass spectra supplied by the LTQ ORBITRAP instrument allowed for an unambiguous assignment of target compounds. The utilized instrumental coupling proved to be a convenient way for the identification of synthetic cannabinoids in real-world samples.},\n\tlanguage = {en},\n\turldate = {2016-04-26},\n\tjournal = {Legal Medicine},\n\tauthor = {Habala, Ladislav and Valentová, Jindra and Pechová, Iveta and Fuknová, Mária and Devínsky, Ferdinand},\n\tmonth = may,\n\tyear = {2016},\n\tpages = {27--31},\n}\n\n\n\n
\n
\n\n\n
\n Synthetic cannabinoids as designer drugs constitute a major problem due to their rapid increase in number and the difficulties connected with their identification in complex mixtures. DART (Direct Analysis in Real Time) has emerged as an advantageous tool for the direct and rapid analysis of complex samples by mass spectrometry. Here we report on the identification of six synthetic cannabinoids originating from seized material in various matrices, employing the combination of ambient pressure ion source DART and hybrid ion trap - LTQ ORBITRAP mass spectrometer. This report also describes the sampling techniques for the provided herbal material containing the cannabinoids, either directly as plant parts or as an extract in methanol and their influence on the outcome of the analysis. The high resolution mass spectra supplied by the LTQ ORBITRAP instrument allowed for an unambiguous assignment of target compounds. The utilized instrumental coupling proved to be a convenient way for the identification of synthetic cannabinoids in real-world samples.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Analysis of a Commercial Marijuana e-Cigarette Formulation.\n \n \n \n \n\n\n \n Peace, M. R.; Stone, J. W.; Poklis, J. L.; Turner, J. B M.; and Poklis, A.\n\n\n \n\n\n\n Journal of Analytical Toxicology, 40(5): 374–378. June 2016.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{peace_analysis_2016,\n\ttitle = {Analysis of a {Commercial} {Marijuana} e-{Cigarette} {Formulation}},\n\tvolume = {40},\n\tissn = {0146-4760, 1945-2403},\n\turl = {http://jat.oxfordjournals.org/lookup/doi/10.1093/jat/bkw021},\n\tdoi = {10.1093/jat/bkw021},\n\tabstract = {Personal battery-powered vaporizers or electronic cigarettes were developed to deliver a nicotine vapor such that smokers could simulate smoking tobacco without the inherent pathology of inhaled tobacco smoke. With four states within the USA having legalized the cultivation, distribution and recreational use of marijuana and an additional 23 states plus the District of Columbia with laws that legalize marijuana in some form, it was inevitable that suppliers of legal marijuana would develop marijuana products for use in these electronic cigarettes. Presented is the analysis of one such marijuana electronic cigarette formulation sold under the brand name Liberty Reach. The cannabinoid concentrations in Liberty Reach as determined by high-performance liquid chromatography—triple quadrapole mass spectrometry (HPLC–MS-MS) were Δ9-tetrahydrocannabinol, 42.6\\% (w/v) and cannabidiol 0.5\\% (w/v). These concentrations were significantly lower than the labeled 69\\% Δ9-tetrahydrocannabinol and 1\\% cannabidiol. Furthermore, 4 cannabinoids, 13 marijuana terpenes, and propylene glycol were identified by a combination of Direct Analysis in Real Time-AccuTOF™ mass spectrometry (DART-MS), HPLC–MS-MS and gas chromatography–MS.},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-07-15},\n\tjournal = {Journal of Analytical Toxicology},\n\tauthor = {Peace, Michelle R. and Stone, Joseph W. and Poklis, Justin L. and Turner, Joseph B M. and Poklis, Alphonse},\n\tmonth = jun,\n\tyear = {2016},\n\tpages = {374--378},\n}\n\n\n\n
\n
\n\n\n
\n Personal battery-powered vaporizers or electronic cigarettes were developed to deliver a nicotine vapor such that smokers could simulate smoking tobacco without the inherent pathology of inhaled tobacco smoke. With four states within the USA having legalized the cultivation, distribution and recreational use of marijuana and an additional 23 states plus the District of Columbia with laws that legalize marijuana in some form, it was inevitable that suppliers of legal marijuana would develop marijuana products for use in these electronic cigarettes. Presented is the analysis of one such marijuana electronic cigarette formulation sold under the brand name Liberty Reach. The cannabinoid concentrations in Liberty Reach as determined by high-performance liquid chromatography—triple quadrapole mass spectrometry (HPLC–MS-MS) were Δ9-tetrahydrocannabinol, 42.6% (w/v) and cannabidiol 0.5% (w/v). These concentrations were significantly lower than the labeled 69% Δ9-tetrahydrocannabinol and 1% cannabidiol. Furthermore, 4 cannabinoids, 13 marijuana terpenes, and propylene glycol were identified by a combination of Direct Analysis in Real Time-AccuTOF™ mass spectrometry (DART-MS), HPLC–MS-MS and gas chromatography–MS.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Rapid analysis of trace drugs and metabolites using a thermal desorption DART-MS configuration.\n \n \n \n \n\n\n \n Sisco, E.; Forbes, T. P.; Staymates, M. E.; and Gillen, G.\n\n\n \n\n\n\n Anal. Methods, 8(35): 6494–6499. 2016.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sisco_rapid_2016,\n\ttitle = {Rapid analysis of trace drugs and metabolites using a thermal desorption {DART}-{MS} configuration},\n\tvolume = {8},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C6AY01851C},\n\tdoi = {10.1039/C6AY01851C},\n\tabstract = {The need to analyze trace narcotic samples rapidly for screening or confirmatory purposes is of increasing interest to the forensic, homeland security, and criminal justice sectors. This work presents a novel method for the detection and quantification of trace drugs and metabolites off of a swipe material using a thermal desorption direct analysis in real time mass spectrometry (TD-DART-MS) configuration. A variation on traditional DART, this configuration allows for desorption of the sample into a confined tube, completely independent of the DART source, allowing for more efficient and thermally precise analysis of material present on a swipe. Over thirty trace samples of narcotics, metabolites, and cutting agents deposited onto swipes were rapidly differentiated using this methodology. The non-optimized method led to sensitivities ranging from single nanograms to hundreds of picograms. Direct comparison to traditional DART with a subset of the samples highlighted an improvement in sensitivity by a factor of twenty to thirty and an increase in reproducibility, measuring integrated area of the base peak, sample to sample from approximately 45\\% RSD to less than 15\\% RSD. Rapid extraction-less quantification was also possible.},\n\tlanguage = {en},\n\tnumber = {35},\n\turldate = {2016-09-30},\n\tjournal = {Anal. Methods},\n\tauthor = {Sisco, Edward and Forbes, Thomas P. and Staymates, Matthew E. and Gillen, Greg},\n\tyear = {2016},\n\tpages = {6494--6499},\n}\n\n\n\n
\n
\n\n\n
\n The need to analyze trace narcotic samples rapidly for screening or confirmatory purposes is of increasing interest to the forensic, homeland security, and criminal justice sectors. This work presents a novel method for the detection and quantification of trace drugs and metabolites off of a swipe material using a thermal desorption direct analysis in real time mass spectrometry (TD-DART-MS) configuration. A variation on traditional DART, this configuration allows for desorption of the sample into a confined tube, completely independent of the DART source, allowing for more efficient and thermally precise analysis of material present on a swipe. Over thirty trace samples of narcotics, metabolites, and cutting agents deposited onto swipes were rapidly differentiated using this methodology. The non-optimized method led to sensitivities ranging from single nanograms to hundreds of picograms. Direct comparison to traditional DART with a subset of the samples highlighted an improvement in sensitivity by a factor of twenty to thirty and an increase in reproducibility, measuring integrated area of the base peak, sample to sample from approximately 45% RSD to less than 15% RSD. Rapid extraction-less quantification was also possible.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Analysis of carbohydrates in Fusarium verticillioides using size-exclusion HPLC – DRI and direct analysis in real time ionization – time-of-flight – mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Roberts, E. S.; Boudreau, B. A.; Brown, D. W.; McQuade, K. L.; and Remsen, E. E.\n\n\n \n\n\n\n Anal. Methods, 8(3): 673–681. 2016.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{roberts_analysis_2016,\n\ttitle = {Analysis of carbohydrates in {Fusarium} verticillioides using size-exclusion {HPLC} – {DRI} and direct analysis in real time ionization – time-of-flight – mass spectrometry ({DART}-{MS})},\n\tvolume = {8},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C5AY01666E},\n\tdoi = {10.1039/C5AY01666E},\n\tabstract = {Direct analysis in real time ionization-time-of-flight-mass spectrometry (DART-MS) and size-exclusion HPLC-DRI are used, respectively, to qualitatively and quantitatively determine the carbohydrates extracted from the corn rot fungus Fusarium verticillioides. In situ permethylation in the DART beam forms tri-methylammonium adducts of the carbohydrates, which enables positive ion MS detection and analysis of these compounds in either whole fungal extracts or size-exclusion separated HPLC fractions of the extracts. This method detects the disaccharide trehalose at concentrations greater than 3.0 ppm. Additionally, this procedure allows for analysis of glucose as well as the sugar alcohols mannitol, arabitol, and glycerol. The reliability of the DART-MS method is confirmed by the absence of trehalose in a mutant strain of F. verticillioides lacking the gene for trehalose-6-phosphate synthase. The capabilities demonstrated here suggest that the DART-MS method, in conjunction with size-exclusion HPLC, is an effective approach for the analysis of saccharide biomarkers in fungi.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-29},\n\tjournal = {Anal. Methods},\n\tauthor = {Roberts, Ethan S. and Boudreau, Beth A. and Brown, Daren W. and McQuade, Kristi L. and Remsen, Edward E.},\n\tyear = {2016},\n\tpages = {673--681},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time ionization-time-of-flight-mass spectrometry (DART-MS) and size-exclusion HPLC-DRI are used, respectively, to qualitatively and quantitatively determine the carbohydrates extracted from the corn rot fungus Fusarium verticillioides. In situ permethylation in the DART beam forms tri-methylammonium adducts of the carbohydrates, which enables positive ion MS detection and analysis of these compounds in either whole fungal extracts or size-exclusion separated HPLC fractions of the extracts. This method detects the disaccharide trehalose at concentrations greater than 3.0 ppm. Additionally, this procedure allows for analysis of glucose as well as the sugar alcohols mannitol, arabitol, and glycerol. The reliability of the DART-MS method is confirmed by the absence of trehalose in a mutant strain of F. verticillioides lacking the gene for trehalose-6-phosphate synthase. The capabilities demonstrated here suggest that the DART-MS method, in conjunction with size-exclusion HPLC, is an effective approach for the analysis of saccharide biomarkers in fungi.\n
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\n\n\n
\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry of potential by-products from homemade nitrate ester explosive synthesis.\n \n \n \n \n\n\n \n Sisco, E.; and Forbes, T. P.\n\n\n \n\n\n\n Talanta, 150: 177–183. April 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sisco_direct_2016,\n\ttitle = {Direct analysis in real time mass spectrometry of potential by-products from homemade nitrate ester explosive synthesis},\n\tvolume = {150},\n\tissn = {00399140},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0039914015305385},\n\tdoi = {10.1016/j.talanta.2015.12.013},\n\tabstract = {This work demonstrates the coupling of direct analysis in real time (DART) ionization with time-of-flight mass spectrometry (MS) in an off-axis configuration for the trace detection and analysis of potential partially nitrated and dimerized by-products of homemade nitrate ester explosive synthesis. Five compounds relating to the synthesis of nitroglycerin (NG) and pentaerythritol tetranitrate (PETN) were examined. Deprotonated ions and adducts with molecular oxygen, nitrite, and nitrate were observed in the mass spectral responses of these compounds. A global optimum temperature of 350 °C for the by-products investigated here enabled single nanogram to sub nanogram trace detection. Matrix effects were examined through a series of mixtures containing one or more compounds (sugar alcohol precursors, by-products, and/or explosives) across a range of mass loadings. The explosives MS responses experienced competitive ionization in the presence of all by-products. The magnitude of this influence corresponded to both the degree of by-product nitration and the relative mass loading of the by-product to the explosive. This work provides a characterization of potential by-products from homemade nitrate ester synthesis, including matrix effects and potential challenges that might arise from the trace detection of homemade explosives (HMEs) containing impurities. Detection and understanding of HME impurities and complex mixtures may provide valuable information for the screening and sourcing of homemade nitrate ester explosives.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Talanta},\n\tauthor = {Sisco, Edward and Forbes, Thomas P.},\n\tmonth = apr,\n\tyear = {2016},\n\tpages = {177--183},\n}\n\n\n\n
\n
\n\n\n
\n This work demonstrates the coupling of direct analysis in real time (DART) ionization with time-of-flight mass spectrometry (MS) in an off-axis configuration for the trace detection and analysis of potential partially nitrated and dimerized by-products of homemade nitrate ester explosive synthesis. Five compounds relating to the synthesis of nitroglycerin (NG) and pentaerythritol tetranitrate (PETN) were examined. Deprotonated ions and adducts with molecular oxygen, nitrite, and nitrate were observed in the mass spectral responses of these compounds. A global optimum temperature of 350 °C for the by-products investigated here enabled single nanogram to sub nanogram trace detection. Matrix effects were examined through a series of mixtures containing one or more compounds (sugar alcohol precursors, by-products, and/or explosives) across a range of mass loadings. The explosives MS responses experienced competitive ionization in the presence of all by-products. The magnitude of this influence corresponded to both the degree of by-product nitration and the relative mass loading of the by-product to the explosive. This work provides a characterization of potential by-products from homemade nitrate ester synthesis, including matrix effects and potential challenges that might arise from the trace detection of homemade explosives (HMEs) containing impurities. Detection and understanding of HME impurities and complex mixtures may provide valuable information for the screening and sourcing of homemade nitrate ester explosives.\n
\n\n\n
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\n \n\n \n \n \n \n \n \n In vivo real-time monitoring of aphrodisiac pheromone release of small white cabbage butterflies (Pieris rapae).\n \n \n \n \n\n\n \n Li, Y.; and Mathews, R. A.\n\n\n \n\n\n\n Journal of Insect Physiology, 91-92: 107–112. August 2016.\n \n\n\n\n
\n\n\n\n \n \n \"InPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_vivo_2016,\n\ttitle = {In vivo real-time monitoring of aphrodisiac pheromone release of small white cabbage butterflies ({Pieris} rapae)},\n\tvolume = {91-92},\n\tissn = {00221910},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0022191016300804},\n\tdoi = {10.1016/j.jinsphys.2016.07.006},\n\tabstract = {The study of insect behavior is of practical importance for developing possible control methods in Integrated Pest Management. Currently, one model of butterfly mating behavior suggests that the initial location of potential mates occurs visually followed by the release of one or more short-range male aphrodisiac pheromones. This model is supported by data obtained from field observations and inferences based on the behavioral effects of chemicals extracted or isolated using indirect and offline techniques. In this study, we performed in vivo real-time monitoring of the male aphrodisiac pheromones released by the small white cabbage male butterfly (Pieris rapae Linnaeus) using confined direct analysis in real time (cDART) mass spectrometry. cDART is a new method easily adapted to the study in real time of chemicals released into the environment by virtually any insect. The major compound released by the male Pieris rapae was identified as ferrulactone. The experimental results reported here indicate that the release of ferrulactone occurs less than 1 s after the male visualizes its partner, and reaches a maximum after about one half minute. This study is the first reported in vivo detection and monitoring of butterfly male aphrodisiac pheromones in real time.},\n\tlanguage = {en},\n\turldate = {2016-08-18},\n\tjournal = {Journal of Insect Physiology},\n\tauthor = {Li, Yue and Mathews, Robert A.},\n\tmonth = aug,\n\tyear = {2016},\n\tpages = {107--112},\n}\n\n\n\n
\n
\n\n\n
\n The study of insect behavior is of practical importance for developing possible control methods in Integrated Pest Management. Currently, one model of butterfly mating behavior suggests that the initial location of potential mates occurs visually followed by the release of one or more short-range male aphrodisiac pheromones. This model is supported by data obtained from field observations and inferences based on the behavioral effects of chemicals extracted or isolated using indirect and offline techniques. In this study, we performed in vivo real-time monitoring of the male aphrodisiac pheromones released by the small white cabbage male butterfly (Pieris rapae Linnaeus) using confined direct analysis in real time (cDART) mass spectrometry. cDART is a new method easily adapted to the study in real time of chemicals released into the environment by virtually any insect. The major compound released by the male Pieris rapae was identified as ferrulactone. The experimental results reported here indicate that the release of ferrulactone occurs less than 1 s after the male visualizes its partner, and reaches a maximum after about one half minute. This study is the first reported in vivo detection and monitoring of butterfly male aphrodisiac pheromones in real time.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time (DART) and a portable mass spectrometer for rapid identification of common and designer drugs on-site.\n \n \n \n \n\n\n \n Brown, H.; Oktem, B.; Windom, A.; Doroshenko, V.; and Evans-Nguyen, K.\n\n\n \n\n\n\n Forensic Chemistry, 1: 66–73. August 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{brown_direct_2016,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) and a portable mass spectrometer for rapid identification of common and designer drugs on-site},\n\tvolume = {1},\n\tissn = {24681709},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S246817091630011X},\n\tdoi = {10.1016/j.forc.2016.07.002},\n\tabstract = {Identification and differentiation of the consistently evolving designer drugs being encountered by law enforcement is challenging established techniques in drug analysis. We report the coupling of Direct Analysis in Real Time (DART) with a portable ion trap mass spectrometer to yield an instrument that can be used for identification of drugs in the field. Initial validation experiments were done in a laboratory setting using pure drug standards to generate an initial library of MS and MS/MS spectra. Additionally, complex mixtures were tested to evaluate the use of MS/MS to eliminate matrix interferents from DART spectra which were obtained with minimal sample preparation or chromatography. Finally, the instrumentation and a small canister of compressed nitrogen gas was transported both to an evidence room and a crime laboratory for on-site analysis of actual drug samples. Numerous pieces of evidence including a suspected cannabis leaf and samples suspected to be “K2”, cocaine, heroin, methamphetamine, an oxycodone tablet, and an alprazolam tablet were directly analyzed, yielding accurate results in real-time. This instrumentation is a viable, commercially available option for rapid mass spectrometry of common and newer designer drugs in the field.},\n\tlanguage = {en},\n\turldate = {2016-08-18},\n\tjournal = {Forensic Chemistry},\n\tauthor = {Brown, Hilary and Oktem, Berk and Windom, Ashley and Doroshenko, Vladimir and Evans-Nguyen, Kenyon},\n\tmonth = aug,\n\tyear = {2016},\n\tpages = {66--73},\n}\n\n\n\n
\n
\n\n\n
\n Identification and differentiation of the consistently evolving designer drugs being encountered by law enforcement is challenging established techniques in drug analysis. We report the coupling of Direct Analysis in Real Time (DART) with a portable ion trap mass spectrometer to yield an instrument that can be used for identification of drugs in the field. Initial validation experiments were done in a laboratory setting using pure drug standards to generate an initial library of MS and MS/MS spectra. Additionally, complex mixtures were tested to evaluate the use of MS/MS to eliminate matrix interferents from DART spectra which were obtained with minimal sample preparation or chromatography. Finally, the instrumentation and a small canister of compressed nitrogen gas was transported both to an evidence room and a crime laboratory for on-site analysis of actual drug samples. Numerous pieces of evidence including a suspected cannabis leaf and samples suspected to be “K2”, cocaine, heroin, methamphetamine, an oxycodone tablet, and an alprazolam tablet were directly analyzed, yielding accurate results in real-time. This instrumentation is a viable, commercially available option for rapid mass spectrometry of common and newer designer drugs in the field.\n
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\n \n\n \n \n \n \n \n \n Rapid screening of testosterone in the aquatic environment using direct analysis in real-time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Lei, Y. T.; Lu, Y.; Zhang, T. C.; Qi, Y.; and Lu, Y. F.\n\n\n \n\n\n\n Environmental Earth Sciences, 75(12). June 2016.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lei_rapid_2016,\n\ttitle = {Rapid screening of testosterone in the aquatic environment using direct analysis in real-time ({DART}) mass spectrometry},\n\tvolume = {75},\n\tissn = {1866-6280, 1866-6299},\n\turl = {http://link.springer.com/10.1007/s12665-016-5830-z},\n\tdoi = {10.1007/s12665-016-5830-z},\n\tabstract = {Testosterone (TES) in the aquatic environment was analyzed for the first time using direct analysis in real-time mass spectrometry (DART MS) without any sample pre-treatment. TES with the addition of 2H and its dehydration products was observed. The instrument parameters were studied systematically and optimized concerning the specific analyte. Limits of detection for the pure compound were 2.5 ng for TES spiked in raw wastewater samples and 500 pg in TES standards. The whole analysis time was within 1 min. A simple derivatization of TES by hydroxylamine and introducing ammonia as dopant gas for the sensitivity and intensity enhancement were also investigated. Both methods improved the intensity of the TES signal by about twofold. The results of this study illustrate that DART MS is capable to detect TES in complicated matrixes and could realize the rapid and direct screening of TES in the aquatic environment at a low nanogram range for pure compound without coupling with any pre-treatment tools.},\n\tlanguage = {en},\n\tnumber = {12},\n\turldate = {2016-07-15},\n\tjournal = {Environmental Earth Sciences},\n\tauthor = {Lei, Y. T. and Lu, Y. and Zhang, Tian C. and Qi, Y. and Lu, Y. F.},\n\tmonth = jun,\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n Testosterone (TES) in the aquatic environment was analyzed for the first time using direct analysis in real-time mass spectrometry (DART MS) without any sample pre-treatment. TES with the addition of 2H and its dehydration products was observed. The instrument parameters were studied systematically and optimized concerning the specific analyte. Limits of detection for the pure compound were 2.5 ng for TES spiked in raw wastewater samples and 500 pg in TES standards. The whole analysis time was within 1 min. A simple derivatization of TES by hydroxylamine and introducing ammonia as dopant gas for the sensitivity and intensity enhancement were also investigated. Both methods improved the intensity of the TES signal by about twofold. The results of this study illustrate that DART MS is capable to detect TES in complicated matrixes and could realize the rapid and direct screening of TES in the aquatic environment at a low nanogram range for pure compound without coupling with any pre-treatment tools.\n
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\n \n\n \n \n \n \n \n \n Identification of unknown compounds from polyester cans coatings that may potentially migrate into food or food simulants.\n \n \n \n \n\n\n \n Paseiro-Cerrato, R.; MacMahon, S.; Ridge, C. D.; Noonan, G. O.; and Begley, T. H.\n\n\n \n\n\n\n Journal of Chromatography A, 1444: 106–113. April 2016.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{paseiro-cerrato_identification_2016,\n\ttitle = {Identification of unknown compounds from polyester cans coatings that may potentially migrate into food or food simulants},\n\tvolume = {1444},\n\tissn = {00219673},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S002196731630303X},\n\tdoi = {10.1016/j.chroma.2016.03.038},\n\tabstract = {Cross-linked polyester resins are being introduced into the market as alternatives to epoxy resins as coatings for metal food cans. Identification of potential migrants, from these coatings into food, is a significant analytical challenge due to the diversity of substances employed in the manufacture of the coatings. However, such identification is required to assess migration from the can coating into the food and quantify dietary exposure. Polyester can coatings were extracted with acetonitrile at 40 °C for 24 h and the extracts were analyzed by a variety of analytical techniques, including GC–MS, HPLC-DAD/MS, HPLC-DAD/CAD and UHPL C-HRMS. Twenty nine non-volatile oligomers were tentatively identified using retention times, UV spectra, and accurate mass measurements. Identified oligomers suggest the coating in use for food cans is a polyester coating and is mainly based on the monomers isophthalic acid, terephthalic acid and nadic acid. To give confidence in the identification, one of the tentatively identified oligomer was synthetized and analyzed by 13C and 1H NMR and UHPL C-HRMS. The NMR and HRMS results, confirmed the presence of this compound in the can extracts. Finally, to determine if rapid, direct detection of the oligomers was practical, the coatings were analyzed by DART-HRMS. Twenty three out of the 29 oligomers were identified in the coating by direct measurement with DART-HRMS in few minutes.},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Paseiro-Cerrato, Rafael and MacMahon, Shaun and Ridge, Clark D. and Noonan, Gregory O. and Begley, Timothy H.},\n\tmonth = apr,\n\tyear = {2016},\n\tpages = {106--113},\n}\n\n\n\n
\n
\n\n\n
\n Cross-linked polyester resins are being introduced into the market as alternatives to epoxy resins as coatings for metal food cans. Identification of potential migrants, from these coatings into food, is a significant analytical challenge due to the diversity of substances employed in the manufacture of the coatings. However, such identification is required to assess migration from the can coating into the food and quantify dietary exposure. Polyester can coatings were extracted with acetonitrile at 40 °C for 24 h and the extracts were analyzed by a variety of analytical techniques, including GC–MS, HPLC-DAD/MS, HPLC-DAD/CAD and UHPL C-HRMS. Twenty nine non-volatile oligomers were tentatively identified using retention times, UV spectra, and accurate mass measurements. Identified oligomers suggest the coating in use for food cans is a polyester coating and is mainly based on the monomers isophthalic acid, terephthalic acid and nadic acid. To give confidence in the identification, one of the tentatively identified oligomer was synthetized and analyzed by 13C and 1H NMR and UHPL C-HRMS. The NMR and HRMS results, confirmed the presence of this compound in the can extracts. Finally, to determine if rapid, direct detection of the oligomers was practical, the coatings were analyzed by DART-HRMS. Twenty three out of the 29 oligomers were identified in the coating by direct measurement with DART-HRMS in few minutes.\n
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\n \n\n \n \n \n \n \n \n Real Time Monitoring of Containerless Microreactions in Acoustically Levitated Droplets via Ambient Ionization Mass Spectrometry.\n \n \n \n \n\n\n \n Crawford, E. A.; Esen, C.; and Volmer, D. A.\n\n\n \n\n\n\n Analytical Chemistry. August 2016.\n \n\n\n\n
\n\n\n\n \n \n \"RealPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{crawford_real_2016,\n\ttitle = {Real {Time} {Monitoring} of {Containerless} {Microreactions} in {Acoustically} {Levitated} {Droplets} via {Ambient} {Ionization} {Mass} {Spectrometry}},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.analchem.6b01519},\n\tdoi = {10.1021/acs.analchem.6b01519},\n\tabstract = {Direct in-droplet (in stillo) microreaction monitoring using acoustically levitated micro droplets has been achieved by combining acoustic (ultrasonic) levitation for the first time with real time ambient tandem mass spectrometry (MS/MS). The acoustic levitation and inherent mixing of microliter volumes of reactants (3 µL droplets) – yielding total reaction volumes of 6 µL – supported monitoring the acid-catalyzed degradation reaction of erythromycin A. This reaction was chosen to demonstrate the proof-of-principle of directly monitoring in stillo microreactions via hyphenated acoustic levitation and ambient ionization mass spectrometry. The microreactions took place completely in stillo over 30, 60 and 120 s within the containerless stable central pressure node of an acoustic levitator, thus readily promoting reaction miniaturization. For the evaluation of the miniaturized in stillo reactions, the degradation reactions were also carried out in vials (in vitro) with a total reaction volume of 400 µL. The reacted in vitro mixtures (6 µL total) were similarly introduced into the acoustic levitator prior to ambient ionization MS/MS analysis. The in stillo miniaturized reactions provided immediate real-time snap-shots of the degradation process for more accurate reaction monitoring and used a fraction of the reactants, while the larger scale in vitro reactions only yielded general reaction information.},\n\tlanguage = {en},\n\turldate = {2016-08-10},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Crawford, Elizabeth A. and Esen, Cemal and Volmer, Dietrich A.},\n\tmonth = aug,\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n Direct in-droplet (in stillo) microreaction monitoring using acoustically levitated micro droplets has been achieved by combining acoustic (ultrasonic) levitation for the first time with real time ambient tandem mass spectrometry (MS/MS). The acoustic levitation and inherent mixing of microliter volumes of reactants (3 µL droplets) – yielding total reaction volumes of 6 µL – supported monitoring the acid-catalyzed degradation reaction of erythromycin A. This reaction was chosen to demonstrate the proof-of-principle of directly monitoring in stillo microreactions via hyphenated acoustic levitation and ambient ionization mass spectrometry. The microreactions took place completely in stillo over 30, 60 and 120 s within the containerless stable central pressure node of an acoustic levitator, thus readily promoting reaction miniaturization. For the evaluation of the miniaturized in stillo reactions, the degradation reactions were also carried out in vials (in vitro) with a total reaction volume of 400 µL. The reacted in vitro mixtures (6 µL total) were similarly introduced into the acoustic levitator prior to ambient ionization MS/MS analysis. The in stillo miniaturized reactions provided immediate real-time snap-shots of the degradation process for more accurate reaction monitoring and used a fraction of the reactants, while the larger scale in vitro reactions only yielded general reaction information.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Quantitation of Acrylamide in Foods by High-Resolution Mass Spectrometry.\n \n \n \n \n\n\n \n Troise, A. D.; and Fogliano, V.\n\n\n \n\n\n\n In Acrylamide in Food, pages 481–495. Elsevier, 2016.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{troise_quantitation_2016,\n\ttitle = {Quantitation of {Acrylamide} in {Foods} by {High}-{Resolution} {Mass} {Spectrometry}},\n\tisbn = {978-0-12-802832-2},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/B9780128028322000255},\n\tabstract = {The use of liquid chromatography high–resolution mass spectrometry (LC–HRMS) and direct analysis real-time high-resolution mass spectrometry (DART–HRMS) defines a new scenario in the analysis of thermal-induced toxicants, such as acrylamide. Several factors contribute to the definition of the complex network related to the acrylamide detection—high polarity, low molecular weight, and matrix effects. In this respect, LC–HRMS offers some advantages such as high reproducibility, low relative standard deviation, and high mass accuracy. In addition, DART approach is able to combine chemometric tools and analytical chemistry. A general overview on the pros and cons related to acrylamide detection by HRMS is provided focusing on the relationship between predictive, indirect, and targeted analysis. Both techniques are compared with the golden standards for acrylamide detection to get more insights into the proper analytical strategy for its quantification.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tbooktitle = {Acrylamide in {Food}},\n\tpublisher = {Elsevier},\n\tauthor = {Troise, Antonio D. and Fogliano, Vincenzo},\n\tyear = {2016},\n\tpages = {481--495},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The use of liquid chromatography high–resolution mass spectrometry (LC–HRMS) and direct analysis real-time high-resolution mass spectrometry (DART–HRMS) defines a new scenario in the analysis of thermal-induced toxicants, such as acrylamide. Several factors contribute to the definition of the complex network related to the acrylamide detection—high polarity, low molecular weight, and matrix effects. In this respect, LC–HRMS offers some advantages such as high reproducibility, low relative standard deviation, and high mass accuracy. In addition, DART approach is able to combine chemometric tools and analytical chemistry. A general overview on the pros and cons related to acrylamide detection by HRMS is provided focusing on the relationship between predictive, indirect, and targeted analysis. Both techniques are compared with the golden standards for acrylamide detection to get more insights into the proper analytical strategy for its quantification.\n
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\n\n\n
\n \n\n \n \n \n \n \n \n Direct analysis in real time high resolution mass spectrometry as a tool for rapid characterization of mind-altering plant materials and revelation of supplement adulteration – The case of Kanna.\n \n \n \n \n\n\n \n Lesiak, A. D.; Cody, R. B.; Ubukata, M.; and Musah, R. A.\n\n\n \n\n\n\n Forensic Science International, 260: 66–73. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_direct_2016,\n\ttitle = {Direct analysis in real time high resolution mass spectrometry as a tool for rapid characterization of mind-altering plant materials and revelation of supplement adulteration – {The} case of {Kanna}},\n\tvolume = {260},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073815005381},\n\tdoi = {10.1016/j.forsciint.2015.12.037},\n\tlanguage = {en},\n\turldate = {2016-03-22},\n\tjournal = {Forensic Science International},\n\tauthor = {Lesiak, Ashton D. and Cody, Robert B. and Ubukata, Masaaki and Musah, Rabi A.},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {66--73},\n}\n\n\n\n
\n
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\n \n\n \n \n \n \n \n \n Combined use of direct analysis in real-time/Orbitrap mass spectrometry and micro-Raman spectroscopy for the comprehensive characterization of real explosive samples.\n \n \n \n \n\n\n \n Bridoux, M. C.; Schwarzenberg, A.; Schramm, S.; and Cole, R. B.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry. June 2016.\n \n\n\n\n
\n\n\n\n \n \n \"CombinedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bridoux_combined_2016,\n\ttitle = {Combined use of direct analysis in real-time/{Orbitrap} mass spectrometry and micro-{Raman} spectroscopy for the comprehensive characterization of real explosive samples},\n\tissn = {1618-2642, 1618-2650},\n\turl = {http://link.springer.com/10.1007/s00216-016-9691-9},\n\tdoi = {10.1007/s00216-016-9691-9},\n\tabstract = {Direct Analysis in Real Time (DART™) high-resolution Orbitrap™ mass spectrometry (HRMS) in combination with Raman microscopy was used for the detailed molecular level characterization of explosives including not only the charge but also the complex matrix of binders, plasticizers, polymers, and other possible organic additives. A total of 15 defused military weapons including grenades, mines, rockets, submunitions, and mortars were examined. Swabs and wipes were used to collect trace (residual) amounts of explosives and their organic constituents from the defused military weapons and micrometer-size explosive particles were transferred using a vacuum suction-impact collection device (vacuum impactor) from wipe and swap samples to an impaction plate made of carbon. The particles deposited on the carbon plate were then characterized using micro-Raman spectroscopy followed by DART-HRMS providing fingerprint signatures of orthogonal nature. The optical microscope of the micro-Raman spectrometer was first used to localize and characterize the explosive charge on the impaction plate which was then targeted for identification by DART-HRMS analysis in both the negative and positive modes. Raman spectra of the explosives TNT, RDX and PETN were acquired from micrometer size particles and characterized by the presence of their characteristic Raman bands obtained directly at the surface of the impaction plate nondestructively without further sample preparation. Negative mode DART-HRMS confirmed the types of charges contained in the weapons (mainly TNT, RDX, HMX, and PETN; either as individual components or as mixtures). These energetic compounds were mainly detected as deprotonated species [M–H]−, or as adduct [M + 35Cl]−, [M + 37Cl]−, or [M + NO3]− anions. Chloride adducts were promoted in the heated DART reagent gas by adding chloroform vapors to the helium stream using an “in-house” delivery method. When the polarity was switched to positive mode, DART-HRMS revealed a very complex distribution of polymeric binders (mainly polyethylene glycols and polypropylene glycols), plasticizers (e.g., dioctyl sebacate, tributyl phosphate), as well as wax-like compounds whose structural features could not be precisely assigned. In positive mode, compounds were identified either as protonated molecules or ammonium adduct species. These results clearly demonstrate the complementarity of micro-Raman microscopy combined with DART-MS. The former technique provides structural information on the type of explosives present at the surface of the sample, whereas the latter provides not only a confirmation of the nature of the explosive charge but also useful additional information regarding the nature of the complex organic matrix of binders, plasticizers, polymers, oils, and potentially other organic additives and contaminants present in the sample. Combining these two techniques provides a powerful tool for the screening, comprehensive characterization, and differentiation of particulate explosive samples for forensic sciences and homeland security applications.},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Bridoux, Maxime C. and Schwarzenberg, Adrián and Schramm, Sébastien and Cole, Richard B.},\n\tmonth = jun,\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART™) high-resolution Orbitrap™ mass spectrometry (HRMS) in combination with Raman microscopy was used for the detailed molecular level characterization of explosives including not only the charge but also the complex matrix of binders, plasticizers, polymers, and other possible organic additives. A total of 15 defused military weapons including grenades, mines, rockets, submunitions, and mortars were examined. Swabs and wipes were used to collect trace (residual) amounts of explosives and their organic constituents from the defused military weapons and micrometer-size explosive particles were transferred using a vacuum suction-impact collection device (vacuum impactor) from wipe and swap samples to an impaction plate made of carbon. The particles deposited on the carbon plate were then characterized using micro-Raman spectroscopy followed by DART-HRMS providing fingerprint signatures of orthogonal nature. The optical microscope of the micro-Raman spectrometer was first used to localize and characterize the explosive charge on the impaction plate which was then targeted for identification by DART-HRMS analysis in both the negative and positive modes. Raman spectra of the explosives TNT, RDX and PETN were acquired from micrometer size particles and characterized by the presence of their characteristic Raman bands obtained directly at the surface of the impaction plate nondestructively without further sample preparation. Negative mode DART-HRMS confirmed the types of charges contained in the weapons (mainly TNT, RDX, HMX, and PETN; either as individual components or as mixtures). These energetic compounds were mainly detected as deprotonated species [M–H]−, or as adduct [M + 35Cl]−, [M + 37Cl]−, or [M + NO3]− anions. Chloride adducts were promoted in the heated DART reagent gas by adding chloroform vapors to the helium stream using an “in-house” delivery method. When the polarity was switched to positive mode, DART-HRMS revealed a very complex distribution of polymeric binders (mainly polyethylene glycols and polypropylene glycols), plasticizers (e.g., dioctyl sebacate, tributyl phosphate), as well as wax-like compounds whose structural features could not be precisely assigned. In positive mode, compounds were identified either as protonated molecules or ammonium adduct species. These results clearly demonstrate the complementarity of micro-Raman microscopy combined with DART-MS. The former technique provides structural information on the type of explosives present at the surface of the sample, whereas the latter provides not only a confirmation of the nature of the explosive charge but also useful additional information regarding the nature of the complex organic matrix of binders, plasticizers, polymers, oils, and potentially other organic additives and contaminants present in the sample. Combining these two techniques provides a powerful tool for the screening, comprehensive characterization, and differentiation of particulate explosive samples for forensic sciences and homeland security applications.\n
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\n \n\n \n \n \n \n \n \n Improvement in ionization efficiency of direct analysis in real time-mass spectrometry (DART-MS) by corona discharge.\n \n \n \n \n\n\n \n Sekimoto, K.; Sakakura, M.; Kawamukai, T.; Hike, H.; Shiota, T.; Usui, F.; Bando, Y.; and Takayama, M.\n\n\n \n\n\n\n The Analyst. 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ImprovementPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sekimoto_improvement_2016,\n\ttitle = {Improvement in ionization efficiency of direct analysis in real time-mass spectrometry ({DART}-{MS}) by corona discharge},\n\tissn = {0003-2654, 1364-5528},\n\turl = {http://xlink.rsc.org/?DOI=C6AN00779A},\n\tdoi = {10.1039/C6AN00779A},\n\tabstract = {Herein it is shown that a combination of direct analysis in real time (DART) with a corona discharge system consisting of only a needle electrode easily improves DART ionization efficiency. Positive and negative DC corona discharges led to a formation of abundant excited helium atoms as well as the reactant ions H3O+(H2O)n and O2˙− in the DART analyte ionization area. These phenomena resulted in an increase in the absolute intensities of (de)protonated analytes by a factor of 2–20 over conventional DART. The other analyte ions detected in this corona–DART system (i.e., molecular ions, fragment ions, oxygenated (de)protonated analytes, dehydrogenated deprotonated analytes, and negative ion adducts) were quite similar to those obtained from DART alone. This indicates a lack of side reactions due to the corona discharge. The change in the relative intensities of individual analyte-related ions due to the combination of a corona discharge system with DART suggests that there is no effect of the abundant excited helium in the analyte ionization area on the fragmentation processes or enhancement of oxidation due to hydroxyl radicals HO˙. Furthermore, it was found that the corona–DART combination can be applied to the highly sensitive analysis of n-alkanes, in which the alkanes are ionized as positive ions via hydride abstraction and oxidation, independent of the type of alkane or the mass spectrometer used.},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {The Analyst},\n\tauthor = {Sekimoto, Kanako and Sakakura, Motoshi and Kawamukai, Takatomo and Hike, Hiroshi and Shiota, Teruhisa and Usui, Fumihiko and Bando, Yasuhiko and Takayama, Mitsuo},\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n Herein it is shown that a combination of direct analysis in real time (DART) with a corona discharge system consisting of only a needle electrode easily improves DART ionization efficiency. Positive and negative DC corona discharges led to a formation of abundant excited helium atoms as well as the reactant ions H3O+(H2O)n and O2˙− in the DART analyte ionization area. These phenomena resulted in an increase in the absolute intensities of (de)protonated analytes by a factor of 2–20 over conventional DART. The other analyte ions detected in this corona–DART system (i.e., molecular ions, fragment ions, oxygenated (de)protonated analytes, dehydrogenated deprotonated analytes, and negative ion adducts) were quite similar to those obtained from DART alone. This indicates a lack of side reactions due to the corona discharge. The change in the relative intensities of individual analyte-related ions due to the combination of a corona discharge system with DART suggests that there is no effect of the abundant excited helium in the analyte ionization area on the fragmentation processes or enhancement of oxidation due to hydroxyl radicals HO˙. Furthermore, it was found that the corona–DART combination can be applied to the highly sensitive analysis of n-alkanes, in which the alkanes are ionized as positive ions via hydride abstraction and oxidation, independent of the type of alkane or the mass spectrometer used.\n
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\n \n\n \n \n \n \n \n \n The current and potential applications of Ambient Mass Spectrometry in detecting food fraud.\n \n \n \n \n\n\n \n Black, C.; Chevallier, O. P.; and Elliott, C. T.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry, 82: 268–278. September 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{black_current_2016,\n\ttitle = {The current and potential applications of {Ambient} {Mass} {Spectrometry} in detecting food fraud},\n\tvolume = {82},\n\tissn = {01659936},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0165993616301017},\n\tdoi = {10.1016/j.trac.2016.06.005},\n\tabstract = {The adulteration of food has received substantial amounts of media attention in the last few years, with events\nsuch as the European horsemeat scandal in 2013 sending shockwaves through society. Almost all cases are\nmotivated by the pursuit of profits and are often aided by long and complex supply chains. In the past few\nyears, the rapid growth of ambient mass spectrometry (AMS) has been remarkable, with over thirty different\nambient ionisation techniques available. Due to the increasing concerns of the food industry and regulators\nworldwide, AMS is now being utilised to investigate whether or not it can generate results which are faster\nyet comparable to those of conventional techniques. This article reviews some aspects of the adulteration of\nfood and its impact on the economy and the public’s health, the background to ambient mass spectrometry\nand the studies that have been undertaken to detect food adulteration using this technology.},\n\tlanguage = {en},\n\turldate = {2016-07-14},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Black, Connor and Chevallier, Olivier P. and Elliott, Christopher T.},\n\tmonth = sep,\n\tyear = {2016},\n\tpages = {268--278},\n}\n\n\n\n
\n
\n\n\n
\n The adulteration of food has received substantial amounts of media attention in the last few years, with events such as the European horsemeat scandal in 2013 sending shockwaves through society. Almost all cases are motivated by the pursuit of profits and are often aided by long and complex supply chains. In the past few years, the rapid growth of ambient mass spectrometry (AMS) has been remarkable, with over thirty different ambient ionisation techniques available. Due to the increasing concerns of the food industry and regulators worldwide, AMS is now being utilised to investigate whether or not it can generate results which are faster yet comparable to those of conventional techniques. This article reviews some aspects of the adulteration of food and its impact on the economy and the public’s health, the background to ambient mass spectrometry and the studies that have been undertaken to detect food adulteration using this technology.\n
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\n \n\n \n \n \n \n \n \n Characterizing and classifying water-based lubricants using direct analysis in real time®–time of flight mass spectrometry.\n \n \n \n \n\n\n \n Maric, M.; and Bridge, C.\n\n\n \n\n\n\n Forensic Science International, 266: 73–79. September 2016.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{maric_characterizing_2016,\n\ttitle = {Characterizing and classifying water-based lubricants using direct analysis in real time®–time of flight mass spectrometry},\n\tvolume = {266},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073816302018},\n\tdoi = {10.1016/j.forsciint.2016.04.036},\n\tabstract = {Lubricant analysis is a relatively recent addition to the examination protocol in sexual assault cases by the forensic science community. Currently, lubricants cannot be unequivocally identified, although their presence can be determined based on the detection of a few chemical components, i.e. polydimethylsiloxane, polyethylene glycol, glycerol or nonoxynol-9. Confirmation of their presence typically requires that an authentic reference sample be submitted and compared to the unknown sample to determine if they potentially came from the same source. In this study, 33 individual personal water-based lubricants were characterized by direct analysis in real time–time of flight mass spectroscopy (DART–TOFMS). The resultant mass spectral data were evaluated using well-established multivariate statistical techniques, such as principal component and linear discriminant analysis. Statistical analysis revealed six different groupings within the data that could be correlated to sub-categories of water-based lubricants that contain additives in the form of anesthetics, sensation enhancers and flavorings. This variability in the personal lubricant sources can be utilized to aid in identifying the specific type of lubricant when only a questioned sample is available.},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {Forensic Science International},\n\tauthor = {Maric, Mark and Bridge, Candice},\n\tmonth = sep,\n\tyear = {2016},\n\tpages = {73--79},\n}\n\n\n\n
\n
\n\n\n
\n Lubricant analysis is a relatively recent addition to the examination protocol in sexual assault cases by the forensic science community. Currently, lubricants cannot be unequivocally identified, although their presence can be determined based on the detection of a few chemical components, i.e. polydimethylsiloxane, polyethylene glycol, glycerol or nonoxynol-9. Confirmation of their presence typically requires that an authentic reference sample be submitted and compared to the unknown sample to determine if they potentially came from the same source. In this study, 33 individual personal water-based lubricants were characterized by direct analysis in real time–time of flight mass spectroscopy (DART–TOFMS). The resultant mass spectral data were evaluated using well-established multivariate statistical techniques, such as principal component and linear discriminant analysis. Statistical analysis revealed six different groupings within the data that could be correlated to sub-categories of water-based lubricants that contain additives in the form of anesthetics, sensation enhancers and flavorings. This variability in the personal lubricant sources can be utilized to aid in identifying the specific type of lubricant when only a questioned sample is available.\n
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\n \n\n \n \n \n \n \n \n More than just heat: ambient ionization mass spectrometry for determination of the species of origin of processed commercial products—application to psychoactive pepper supplements.\n \n \n \n \n\n\n \n Lesiak, A. D.; and Musah, R. A.\n\n\n \n\n\n\n Anal. Methods, 8(7): 1646–1658. 2016.\n \n\n\n\n
\n\n\n\n \n \n \"MorePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_more_2016,\n\ttitle = {More than just heat: ambient ionization mass spectrometry for determination of the species of origin of processed commercial products—application to psychoactive pepper supplements},\n\tvolume = {8},\n\tissn = {1759-9660, 1759-9679},\n\tshorttitle = {More than just heat},\n\turl = {http://xlink.rsc.org/?DOI=C5AY02570B},\n\tdoi = {10.1039/C5AY02570B},\n\tlanguage = {en},\n\tnumber = {7},\n\turldate = {2016-03-22},\n\tjournal = {Anal. Methods},\n\tauthor = {Lesiak, Ashton D. and Musah, Rabi A.},\n\tyear = {2016},\n\tpages = {1646--1658},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Coupling solid-phase microextraction with ambient mass spectrometry: Strategies and applications.\n \n \n \n \n\n\n \n Fang, L.; Deng, J.; Yang, Y.; Wang, X.; Chen, B.; Liu, H.; Zhou, H.; Ouyang, G.; and Luan, T.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"CouplingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fang_coupling_2016,\n\ttitle = {Coupling solid-phase microextraction with ambient mass spectrometry: {Strategies} and applications},\n\tissn = {01659936},\n\tshorttitle = {Coupling solid-phase microextraction with ambient mass spectrometry},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S016599361630022X},\n\tdoi = {10.1016/j.trac.2016.05.025},\n\tabstract = {The rapid development of solid-phase microextraction (SPME) coupled with ambient mass spectrom-\netry (AMS) in recent years gives us the opportunities for direct and straightforward analysis of trace analytes\nin complex biological, environmental, forensic, food, individual small organism, and even single cell samples\nunder ambient and open-air condition. This review article summarized the field of SPME coupled with\nAMS that has been published to date. The strategies for coupling SPME to AMS were summarized and discussed, and the typical applications of SPME coupled with AMS were commented.},\n\tlanguage = {en},\n\turldate = {2016-07-14},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Fang, Ling and Deng, Jiewei and Yang, Yunyun and Wang, Xiaowei and Chen, Baowei and Liu, Hongtao and Zhou, Haiyun and Ouyang, Gangfeng and Luan, Tiangang},\n\tmonth = may,\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n The rapid development of solid-phase microextraction (SPME) coupled with ambient mass spectrom- etry (AMS) in recent years gives us the opportunities for direct and straightforward analysis of trace analytes in complex biological, environmental, forensic, food, individual small organism, and even single cell samples under ambient and open-air condition. This review article summarized the field of SPME coupled with AMS that has been published to date. The strategies for coupling SPME to AMS were summarized and discussed, and the typical applications of SPME coupled with AMS were commented.\n
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\n \n\n \n \n \n \n \n \n Application of ambient ionization high resolution mass spectrometry to determination of the botanical provenance of the constituents of psychoactive drug mixtures.\n \n \n \n \n\n\n \n Lesiak, A. D.; and Musah, R. A.\n\n\n \n\n\n\n Forensic Science International, 266: 271–280. September 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_application_2016,\n\ttitle = {Application of ambient ionization high resolution mass spectrometry to determination of the botanical provenance of the constituents of psychoactive drug mixtures},\n\tvolume = {266},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073816302614},\n\tdoi = {10.1016/j.forsciint.2016.06.009},\n\tabstract = {A continuing challenge in analytical chemistry is species-level determination of the constituents of mixtures that are made of a combination of plant species. There is an added urgency to identify components in botanical mixtures that have mind altering properties, due to the increasing global abuse of combinations of such plants. Here we demonstrate the proof of principle that ambient ionization mass spectrometry, namely direct analysis in real time-high resolution mass spectrometry (DART-HRMS), and statistical analysis tools can be used to rapidly determine the individual components within a psychoactive brew (Ayahuasca) made from a mixture of botanicals. Five plant species used in Ayahuasca preparations were subjected to DART-HRMS analysis. The chemical fingerprint of each was reproducible but unique, thus enabling discrimination between them. The presence of important biomarkers, including N,N-dimethyltryptamine, harmaline and harmine, was confirmed using in-source collision-induced dissociation (CID). Six Ayahuasca brews made from combinations of various plant species were shown to possess a high level of similarity, despite having been made from different constituents. Nevertheless, the application of principal component analysis (PCA) was useful in distinguishing between each of the brews based on the botanical species used in the preparations. From a training set based on 900 individual analyses, three principal components covered 86.38\\% of the variance, and the leave-one-out cross validation was 98.88\\%. This is the first report of ambient ionization MS being successfully used for determination of the individual components of plant mixtures.},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {Forensic Science International},\n\tauthor = {Lesiak, Ashton D. and Musah, Rabi A.},\n\tmonth = sep,\n\tyear = {2016},\n\tpages = {271--280},\n}\n\n\n\n
\n
\n\n\n
\n A continuing challenge in analytical chemistry is species-level determination of the constituents of mixtures that are made of a combination of plant species. There is an added urgency to identify components in botanical mixtures that have mind altering properties, due to the increasing global abuse of combinations of such plants. Here we demonstrate the proof of principle that ambient ionization mass spectrometry, namely direct analysis in real time-high resolution mass spectrometry (DART-HRMS), and statistical analysis tools can be used to rapidly determine the individual components within a psychoactive brew (Ayahuasca) made from a mixture of botanicals. Five plant species used in Ayahuasca preparations were subjected to DART-HRMS analysis. The chemical fingerprint of each was reproducible but unique, thus enabling discrimination between them. The presence of important biomarkers, including N,N-dimethyltryptamine, harmaline and harmine, was confirmed using in-source collision-induced dissociation (CID). Six Ayahuasca brews made from combinations of various plant species were shown to possess a high level of similarity, despite having been made from different constituents. Nevertheless, the application of principal component analysis (PCA) was useful in distinguishing between each of the brews based on the botanical species used in the preparations. From a training set based on 900 individual analyses, three principal components covered 86.38% of the variance, and the leave-one-out cross validation was 98.88%. This is the first report of ambient ionization MS being successfully used for determination of the individual components of plant mixtures.\n
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\n \n\n \n \n \n \n \n \n Rapid detection of hazardous chemicals in textiles by direct analysis in real-time mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Antal, B.; Kuki, Á.; Nagy, L.; Nagy, T.; Zsuga, M.; and Kéki, S.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 408(19): 5189–5198. July 2016.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{antal_rapid_2016,\n\ttitle = {Rapid detection of hazardous chemicals in textiles by direct analysis in real-time mass spectrometry ({DART}-{MS})},\n\tvolume = {408},\n\tissn = {1618-2642, 1618-2650},\n\turl = {http://link.springer.com/10.1007/s00216-016-9603-z},\n\tdoi = {10.1007/s00216-016-9603-z},\n\tabstract = {Residues of chemicals on clothing products were examined by direct analysis in real-time (DART) mass spectrometry. Our experiments have revealed the presence of more than 40 chemicals in 15 different clothing items. The identification was confirmed by DART tandem mass spectrometry (MS/MS) experiments for 14 compounds. The most commonly detected hazardous substances were nonylphenol ethoxylates (NPEs), phthalic acid esters (phthalates), amines released by azo dyes, and quinoline derivates. DART-MS was able to detect NPEs on the skin of the person wearing the clothing item contaminated by NPE residuals. Automated data acquisition and processing method was developed and tested for the recognition of NPE residues thereby reducing the analysis time.},\n\tlanguage = {en},\n\tnumber = {19},\n\turldate = {2016-07-14},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Antal, Borbála and Kuki, Ákos and Nagy, Lajos and Nagy, Tibor and Zsuga, Miklós and Kéki, Sándor},\n\tmonth = jul,\n\tyear = {2016},\n\tpages = {5189--5198},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Residues of chemicals on clothing products were examined by direct analysis in real-time (DART) mass spectrometry. Our experiments have revealed the presence of more than 40 chemicals in 15 different clothing items. The identification was confirmed by DART tandem mass spectrometry (MS/MS) experiments for 14 compounds. The most commonly detected hazardous substances were nonylphenol ethoxylates (NPEs), phthalic acid esters (phthalates), amines released by azo dyes, and quinoline derivates. DART-MS was able to detect NPEs on the skin of the person wearing the clothing item contaminated by NPE residuals. Automated data acquisition and processing method was developed and tested for the recognition of NPE residues thereby reducing the analysis time.\n
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\n \n\n \n \n \n \n \n \n Characterization of the oxidation products of Shengli lignite using mass spectrometers with “hard”, “soft” and ambient ion sources.\n \n \n \n \n\n\n \n Wang, M.; Fan, X.; Wei, X.; Cao, J.; Zhao, Y.; Wang, S.; Wang, C.; and Wang, R.\n\n\n \n\n\n\n Fuel, 183: 115–122. November 2016.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_characterization_2016,\n\ttitle = {Characterization of the oxidation products of {Shengli} lignite using mass spectrometers with “hard”, “soft” and ambient ion sources},\n\tvolume = {183},\n\tissn = {00162361},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0016236116304641},\n\tdoi = {10.1016/j.fuel.2016.06.012},\n\tabstract = {Shengli lignite (SL) was oxidized and depolymerized in aqueous sodium hypochlorite under mild conditions followed by sequential extraction with ethoxyethane and ethyl acetate. The extracts were analyzed by Fourier transform infrared spectroscopy, gas chromatograph/mass spectrometry (GC/MS), time-of-flight mass spectrometry (TOF-MS) equipped with electrospray ionization (ESI), and direct analysis in real time (DART) to understand the structural features of SL. In total, 130, 272, and 818 compounds were identified by GC/MS, ESI-MS, and DART-MS, respectively, and the corresponding molecular mass distributions are between 70 and 322, 114 and 664, 113 and 753 u, respectively. GC/MS detected molecules with low molecular mass and polarity, and the major species include aliphatic acids, benzene polycarboxylic acids, chloro-substituted species and nitrogen-containing compounds. A large number of heteroatom-containing compounds (oxygen, nitrogen and sulfur) with relatively high molecular mass and unsaturation degree were determined using ESI-MS. As an ambient ionization technique, DART speeded up the analysis time with little or no sample pretreatment. Compared to the other two MS techniques, DART-MS broadened the measurement range, and OxN5, and OxN6 classes were only detected by DART-MS.},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {Fuel},\n\tauthor = {Wang, Miao and Fan, Xing and Wei, Xian-Yong and Cao, Jing-Pei and Zhao, Yun-Peng and Wang, Shou-Ze and Wang, Chu-Fan and Wang, Rui-Yu},\n\tmonth = nov,\n\tyear = {2016},\n\tpages = {115--122},\n}\n\n\n\n
\n
\n\n\n
\n Shengli lignite (SL) was oxidized and depolymerized in aqueous sodium hypochlorite under mild conditions followed by sequential extraction with ethoxyethane and ethyl acetate. The extracts were analyzed by Fourier transform infrared spectroscopy, gas chromatograph/mass spectrometry (GC/MS), time-of-flight mass spectrometry (TOF-MS) equipped with electrospray ionization (ESI), and direct analysis in real time (DART) to understand the structural features of SL. In total, 130, 272, and 818 compounds were identified by GC/MS, ESI-MS, and DART-MS, respectively, and the corresponding molecular mass distributions are between 70 and 322, 114 and 664, 113 and 753 u, respectively. GC/MS detected molecules with low molecular mass and polarity, and the major species include aliphatic acids, benzene polycarboxylic acids, chloro-substituted species and nitrogen-containing compounds. A large number of heteroatom-containing compounds (oxygen, nitrogen and sulfur) with relatively high molecular mass and unsaturation degree were determined using ESI-MS. As an ambient ionization technique, DART speeded up the analysis time with little or no sample pretreatment. Compared to the other two MS techniques, DART-MS broadened the measurement range, and OxN5, and OxN6 classes were only detected by DART-MS.\n
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\n \n\n \n \n \n \n \n \n Rapid Identification of Synthetic Cannabinoids in Herbal Incenses with DART-MS and NMR.\n \n \n \n \n\n\n \n Marino, M. A.; Voyer, B.; Cody, R. B.; Dane, A. J.; Veltri, M.; and Huang, L.\n\n\n \n\n\n\n Journal of Forensic Sciences, 61: S82–S91. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{marino_rapid_2016,\n\ttitle = {Rapid {Identification} of {Synthetic} {Cannabinoids} in {Herbal} {Incenses} with {DART}-{MS} and {NMR}},\n\tvolume = {61},\n\tissn = {00221198},\n\turl = {http://doi.wiley.com/10.1111/1556-4029.12932},\n\tdoi = {10.1111/1556-4029.12932},\n\tabstract = {The usage of herbal incenses containing synthetic cannabinoids has caused an increase in medical incidents and triggered legislations to ban these products throughout the world. Law enforcement agencies are experiencing sample backlogs due to the variety of the products and the addition of new and still-legal compounds. In our study, proton nuclear magnetic resonance (NMR) spectroscopy was employed to promptly screen the synthetic cannabinoids after their rapid, direct detection on the herbs and in the powders by direct analysis in real time mass spectrometry (DART-MS). A simple sample preparation protocol was employed on 50 mg of herbal sample matrices for quick NMR detection. Ten synthetic cannabinoids were discovered in fifteen herbal incenses. The combined DART-MS and NMR methods can be used to quickly screen synthetic cannabinoids in powder and herbal samples, serving as a complementary approach to conventional GC-MS or LC-MS methods.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Marino, Michael A. and Voyer, Brandy and Cody, Robert B. and Dane, A. John and Veltri, Mercurio and Huang, Ling},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {S82--S91},\n}\n\n\n\n
\n
\n\n\n
\n The usage of herbal incenses containing synthetic cannabinoids has caused an increase in medical incidents and triggered legislations to ban these products throughout the world. Law enforcement agencies are experiencing sample backlogs due to the variety of the products and the addition of new and still-legal compounds. In our study, proton nuclear magnetic resonance (NMR) spectroscopy was employed to promptly screen the synthetic cannabinoids after their rapid, direct detection on the herbs and in the powders by direct analysis in real time mass spectrometry (DART-MS). A simple sample preparation protocol was employed on 50 mg of herbal sample matrices for quick NMR detection. Ten synthetic cannabinoids were discovered in fifteen herbal incenses. The combined DART-MS and NMR methods can be used to quickly screen synthetic cannabinoids in powder and herbal samples, serving as a complementary approach to conventional GC-MS or LC-MS methods.\n
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\n \n\n \n \n \n \n \n \n Effects of ion source operating parameters on direct analysis in real time of 18 active components from traditional Chinese medicine.\n \n \n \n \n\n\n \n Wang, L.; Zeng, S.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 121: 30–38. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"EffectsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_effects_2016,\n\ttitle = {Effects of ion source operating parameters on direct analysis in real time of 18 active components from traditional {Chinese} medicine},\n\tvolume = {121},\n\tissn = {07317085},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0731708516300012},\n\tdoi = {10.1016/j.jpba.2016.01.001},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) provides a new analytical method for traditional Chinese medicine (TCM). The present study investigated the effects of key ion source operating parameters on DART-MS analysis of various TCM active components. A total of 18 active components, including phenylpropanoids, alkaloids, saponins, flavones, volatile oils, and glycosides, were examined. For each substance, the peak area and signal-to-noise of its characteristic ions under different reagent gases and heater temperatures were compared. Based on the comparison, the relationships among chemical structures, ion source parameters and instrument responses were revealed. Finally, some suggestions about choosing reagent gas and heater temperature were proposed for types of TCM active substance, which offered a reference for the application of DART-MS on TCM analysis.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Wang, Lu and Zeng, Shanshan and Qu, Haibin},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {30--38},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) provides a new analytical method for traditional Chinese medicine (TCM). The present study investigated the effects of key ion source operating parameters on DART-MS analysis of various TCM active components. A total of 18 active components, including phenylpropanoids, alkaloids, saponins, flavones, volatile oils, and glycosides, were examined. For each substance, the peak area and signal-to-noise of its characteristic ions under different reagent gases and heater temperatures were compared. Based on the comparison, the relationships among chemical structures, ion source parameters and instrument responses were revealed. Finally, some suggestions about choosing reagent gas and heater temperature were proposed for types of TCM active substance, which offered a reference for the application of DART-MS on TCM analysis.\n
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\n \n\n \n \n \n \n \n \n Novel determination of caffeine in human urine by direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Song, Y.; Chen, L.; Liu, C. C.; Zha, C.; and Wang, B.\n\n\n \n\n\n\n Instrumentation Science & Technology, 44(2): 172–180. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"NovelPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{song_novel_2016,\n\ttitle = {Novel determination of caffeine in human urine by direct analysis in real time mass spectrometry},\n\tvolume = {44},\n\tissn = {1073-9149, 1525-6030},\n\turl = {http://www.tandfonline.com/doi/full/10.1080/10739149.2015.1077340},\n\tdoi = {10.1080/10739149.2015.1077340},\n\tabstract = {Determination of caffeine is necessary for clinical research. A new method for the determination of caffeine in human urine was established by direct analysis in real time mass spectrometry using multiple reaction monitoring. The m/z 195.1 to 138.1 amu transition was employed in positive ionization mode. The preparation and analysis conditions were systemically optimized. The calibration curve was linear from 0.5-50 μg/mL with a limit of detection limit of 0.2 μg/mL. Intra-day and inter-day accuracy and precision were within the acceptable limits of ±15\\% at all concentrations. Moreover, the matrix effects for the determination of caffeine were evaluated. In conclusion, a simple, rapid, and reliable method without complex sample preparation and chromatographic separation was developed and validated for the determination of caffeine in human urine.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-03-22},\n\tjournal = {Instrumentation Science \\& Technology},\n\tauthor = {Song, Yu-qiao and Chen, Li and Liu, Charles C. and Zha, Cheng and Wang, Bin},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {172--180},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Determination of caffeine is necessary for clinical research. A new method for the determination of caffeine in human urine was established by direct analysis in real time mass spectrometry using multiple reaction monitoring. The m/z 195.1 to 138.1 amu transition was employed in positive ionization mode. The preparation and analysis conditions were systemically optimized. The calibration curve was linear from 0.5-50 μg/mL with a limit of detection limit of 0.2 μg/mL. Intra-day and inter-day accuracy and precision were within the acceptable limits of ±15% at all concentrations. Moreover, the matrix effects for the determination of caffeine were evaluated. In conclusion, a simple, rapid, and reliable method without complex sample preparation and chromatographic separation was developed and validated for the determination of caffeine in human urine.\n
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\n \n\n \n \n \n \n \n \n Rapid Oxidation of Skin Oil by Ozone.\n \n \n \n \n\n\n \n Zhou, S.; Forbes, M. W.; Katrib, Y.; and Abbatt, J. P. D.\n\n\n \n\n\n\n Environmental Science & Technology Letters, 3(4): 170–174. April 2016.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhou_rapid_2016,\n\ttitle = {Rapid {Oxidation} of {Skin} {Oil} by {Ozone}},\n\tvolume = {3},\n\tissn = {2328-8930, 2328-8930},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.estlett.6b00086},\n\tdoi = {10.1021/acs.estlett.6b00086},\n\tabstract = {The reaction of gas-phase ozone with human skin oil has been studied at room temperature. Skin oil was exposed to ozone at mixing ratios similar to those in the ambient environment and then analyzed for condensed-phase products using direct analysis in real time mass spectrometry (DART-MS). Prior to ozone exposure, skin oil gives rise to prominent mass spectral signals indicative of highly unsaturated alkenes, sterols, triglycerides, long-chain fatty acids, pyroglutamic acid, and probably waxy esters. Upon oxidation with 50 ppb ozone for 90 min, there is a rapid loss of alkene, fatty acid, and triglyceride signals resulting from efficient multiphase ozonolysis. Oxygenated products, including a variety of carboxylic acids, are identified via studies with pure compounds present in skin oil, i.e., squalene, cholesterol, and triolein. The chemistry is rapid, occurring on time scales of tens of minutes, implying that these highly oxygenated reaction products are always present on human skin both indoors and outdoors.},\n\tlanguage = {en},\n\tnumber = {4},\n\turldate = {2016-06-01},\n\tjournal = {Environmental Science \\& Technology Letters},\n\tauthor = {Zhou, Shouming and Forbes, Matthew W. and Katrib, Yasmine and Abbatt, Jonathan P. D.},\n\tmonth = apr,\n\tyear = {2016},\n\tpages = {170--174},\n}\n\n\n\n
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\n The reaction of gas-phase ozone with human skin oil has been studied at room temperature. Skin oil was exposed to ozone at mixing ratios similar to those in the ambient environment and then analyzed for condensed-phase products using direct analysis in real time mass spectrometry (DART-MS). Prior to ozone exposure, skin oil gives rise to prominent mass spectral signals indicative of highly unsaturated alkenes, sterols, triglycerides, long-chain fatty acids, pyroglutamic acid, and probably waxy esters. Upon oxidation with 50 ppb ozone for 90 min, there is a rapid loss of alkene, fatty acid, and triglyceride signals resulting from efficient multiphase ozonolysis. Oxygenated products, including a variety of carboxylic acids, are identified via studies with pure compounds present in skin oil, i.e., squalene, cholesterol, and triolein. The chemistry is rapid, occurring on time scales of tens of minutes, implying that these highly oxygenated reaction products are always present on human skin both indoors and outdoors.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time-Mass spectrometry (DART-MS) in forensic and security applications: FORENSIC APPLICATIONS OF DART-MS.\n \n \n \n \n\n\n \n Pavlovich, M. J.; Musselman, B.; and Hall, A. B.\n\n\n \n\n\n\n Mass Spectrometry Reviews. June 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{pavlovich_direct_2016,\n\ttitle = {Direct analysis in real time-{Mass} spectrometry ({DART}-{MS}) in forensic and security applications: {FORENSIC} {APPLICATIONS} {OF} {DART}-{MS}},\n\tissn = {02777037},\n\tshorttitle = {Direct analysis in real time-{Mass} spectrometry ({DART}-{MS}) in forensic and security applications},\n\turl = {http://doi.wiley.com/10.1002/mas.21509},\n\tdoi = {10.1002/mas.21509},\n\tabstract = {Over the last decade, direct analysis in real time (DART) has emerged as a viable method for fast, easy, and reliable “ambient ionization” for forensic analysis. The ability of DART to generate ions from chemicals that might be present at the scene of a criminal activity, whether they are in the gas, liquid, or solid phase, with limited sample preparation has made the technology a useful analytical tool in numerous forensic applications. This review paper summarizes many of those applications, ranging from the analysis of trace evidence to security applications, with a focus on providing the forensic scientist with a resource for developing their own applications. The most common uses for DART in forensics are in studying seized drugs, drugs of abuse and their metabolites, bulk and detonated explosives, toxic chemicals, chemical warfare agents, inks and dyes, and commercial plant and animal products that have been adulterated for economic gain. This review is meant to complement recent reviews that have described the fundamentals of the ionization mechanism and the general use of DART. We describe a wide range of forensic applications beyond the field of analyzing drugs of abuse, which dominates the literature, including common experimental and data analysis methods.},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {Mass Spectrometry Reviews},\n\tauthor = {Pavlovich, Matthew J. and Musselman, Brian and Hall, Adam B.},\n\tmonth = jun,\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n Over the last decade, direct analysis in real time (DART) has emerged as a viable method for fast, easy, and reliable “ambient ionization” for forensic analysis. The ability of DART to generate ions from chemicals that might be present at the scene of a criminal activity, whether they are in the gas, liquid, or solid phase, with limited sample preparation has made the technology a useful analytical tool in numerous forensic applications. This review paper summarizes many of those applications, ranging from the analysis of trace evidence to security applications, with a focus on providing the forensic scientist with a resource for developing their own applications. The most common uses for DART in forensics are in studying seized drugs, drugs of abuse and their metabolites, bulk and detonated explosives, toxic chemicals, chemical warfare agents, inks and dyes, and commercial plant and animal products that have been adulterated for economic gain. This review is meant to complement recent reviews that have described the fundamentals of the ionization mechanism and the general use of DART. We describe a wide range of forensic applications beyond the field of analyzing drugs of abuse, which dominates the literature, including common experimental and data analysis methods.\n
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\n \n\n \n \n \n \n \n \n Analytical Strategies for Doping Control Purposes: Needs, Challenges, and Perspectives.\n \n \n \n \n\n\n \n Nicoli, R.; Guillarme, D.; Leuenberger, N.; Baume, N.; Robinson, N.; Saugy, M.; and Veuthey, J.\n\n\n \n\n\n\n Analytical Chemistry, 88(1): 508–523. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"AnalyticalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{nicoli_analytical_2016,\n\ttitle = {Analytical {Strategies} for {Doping} {Control} {Purposes}: {Needs}, {Challenges}, and {Perspectives}},\n\tvolume = {88},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Analytical {Strategies} for {Doping} {Control} {Purposes}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.analchem.5b03994},\n\tdoi = {10.1021/acs.analchem.5b03994},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nicoli, Raul and Guillarme, Davy and Leuenberger, Nicolas and Baume, Norbert and Robinson, Neil and Saugy, Martial and Veuthey, Jean-Luc},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {508--523},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n \n The detection of multiple illicit street drugs in liquid samples by direct analysis in real time (DART) coupled to Q-orbitrap tandem mass spectrometry.\n \n \n \n \n\n\n \n Chen, T.; Hsu, H.; and Wu, S.\n\n\n \n\n\n\n Forensic Science International, 267: 1–6. October 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chen_detection_2016,\n\ttitle = {The detection of multiple illicit street drugs in liquid samples by direct analysis in real time ({DART}) coupled to {Q}-orbitrap tandem mass spectrometry},\n\tvolume = {267},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073816303292},\n\tdoi = {10.1016/j.forsciint.2016.07.025},\n\tabstract = {Direct analysis in real time coupled to Q-orbitrap tandem mass spectrometry (DART-MS) without requiring preparatory procedures was used to directly detect trace amounts of illegal street drugs, namely p-chloroamphetamine, p-fluoromethamphetamine, γ-hydroxybutyrate, ketamine, methamphetamine, 3,4-methylenedioxypyrovalerone, p-methylethcathinone, methylone, and nimetazepam, in solution and also in real drug samples. Exact mass determination of the drug samples was completed in less than 1 min. With the ability to rapidly identify drugs, this technique shows great potential as a useful analytical tool in the analysis of illicit street drugs, and has the significant advantages of simplicity and sensitivity without the sample preparation needed by other methods.},\n\tlanguage = {en},\n\turldate = {2016-08-18},\n\tjournal = {Forensic Science International},\n\tauthor = {Chen, Tai-Hung and Hsu, Hsin-Yun and Wu, Shu-Pao},\n\tmonth = oct,\n\tyear = {2016},\n\tpages = {1--6},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time coupled to Q-orbitrap tandem mass spectrometry (DART-MS) without requiring preparatory procedures was used to directly detect trace amounts of illegal street drugs, namely p-chloroamphetamine, p-fluoromethamphetamine, γ-hydroxybutyrate, ketamine, methamphetamine, 3,4-methylenedioxypyrovalerone, p-methylethcathinone, methylone, and nimetazepam, in solution and also in real drug samples. Exact mass determination of the drug samples was completed in less than 1 min. With the ability to rapidly identify drugs, this technique shows great potential as a useful analytical tool in the analysis of illicit street drugs, and has the significant advantages of simplicity and sensitivity without the sample preparation needed by other methods.\n
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\n \n\n \n \n \n \n \n \n Rapid fingerprinting of sterols and related compounds in vegetable and animal oils and phytosterol enriched- margarines by transmission mode direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Alberici, R. M.; Fernandes, G. D.; Porcari, A. M.; Eberlin, M. N.; Barrera-Arellano, D.; and Fernández, F. M.\n\n\n \n\n\n\n Food Chemistry, 211: 661–668. November 2016.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n  \n \n 1 download\n \n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{alberici_rapid_2016,\n\ttitle = {Rapid fingerprinting of sterols and related compounds in vegetable and animal oils and phytosterol enriched- margarines by transmission mode direct analysis in real time mass spectrometry},\n\tvolume = {211},\n\tissn = {03088146},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0308814616307373},\n\tdoi = {10.1016/j.foodchem.2016.05.057},\n\tabstract = {Plant-derived sterols, often referred to as phytosterols, are important constituents of plant membranes where they assist in maintaining phospholipid bilayer stability. Consumption of phytosterols has been suggested to positively affect human health by reducing cholesterol levels in blood via inhibition of its absorption in the small intestine, thus protecting against heart attack and stroke. Sterols are challenging analytes for mass spectrometry, since their low polarity makes them difficult to ionize by both electrospray ionization (ESI) and matrix-assisted laser desorption ionization (MALDI), typically requiring derivatization steps to overcome their low ionization efficiencies. We present a fast and reliable method to characterize the composition of phytosterols in vegetable oils and enriched margarines. The method requires no derivatization steps or sample extraction procedures thanks to the use of transmission mode direct analysis in real time mass spectrometry (TM-DART-MS).},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {Food Chemistry},\n\tauthor = {Alberici, Rosana M. and Fernandes, Gabriel D. and Porcari, Andréia M. and Eberlin, Marcos N. and Barrera-Arellano, Daniel and Fernández, Facundo M.},\n\tmonth = nov,\n\tyear = {2016},\n\tpages = {661--668},\n}\n\n\n\n
\n
\n\n\n
\n Plant-derived sterols, often referred to as phytosterols, are important constituents of plant membranes where they assist in maintaining phospholipid bilayer stability. Consumption of phytosterols has been suggested to positively affect human health by reducing cholesterol levels in blood via inhibition of its absorption in the small intestine, thus protecting against heart attack and stroke. Sterols are challenging analytes for mass spectrometry, since their low polarity makes them difficult to ionize by both electrospray ionization (ESI) and matrix-assisted laser desorption ionization (MALDI), typically requiring derivatization steps to overcome their low ionization efficiencies. We present a fast and reliable method to characterize the composition of phytosterols in vegetable oils and enriched margarines. The method requires no derivatization steps or sample extraction procedures thanks to the use of transmission mode direct analysis in real time mass spectrometry (TM-DART-MS).\n
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\n \n\n \n \n \n \n \n \n Enhancing phytochemical levels, enzymatic and antioxidant activity of spinach leaves by chitosan treatment and an insight into the metabolic pathway using DART-MS technique.\n \n \n \n \n\n\n \n Singh, S.\n\n\n \n\n\n\n Food Chemistry, 199: 176–184. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"EnhancingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{singh_enhancing_2016,\n\ttitle = {Enhancing phytochemical levels, enzymatic and antioxidant activity of spinach leaves by chitosan treatment and an insight into the metabolic pathway using {DART}-{MS} technique},\n\tvolume = {199},\n\tissn = {03088146},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0308814615302673},\n\tdoi = {10.1016/j.foodchem.2015.11.127},\n\tabstract = {Phytochemicals are health promoting compounds, synthesized by the plants to protect them against biotic or abiotic stress. The metabolic pathways leading to the synthesis of these phytochemicals are highly inducible; therefore methods could be developed to enhance their production by the exogenous application of chemical inducers/elicitors. In the present experiment, chitosan was used as an elicitor molecule to improve the phytochemical content of spinach plant. When applied at a concentration of 0.01 mg/ml as a foliar spray, chitosan was able to cause an increase in the enzymatic (peroxidase, catalase and phenylalanine ammonium lyase (PAL)) and non enzymatic (total phenolics, flavonoids and proteins) defensive metabolites, as well as, in the total antioxidant activity of the spinach leaves. A 1.7-fold increase in the total phenolics, a 2-fold increase in total flavonoid and a 1.6-fold increase in total protein were achieved with the treatment. A higher level of enzymatic activity was observed with a 4-fold increase in peroxidase and approximately 3-fold increases in catalase and phenylalanine ammonium lyase activity. Antioxidant activity showed a positive correlation between phenolic compounds and the enzymatic activity. Direct analysis in real time mass spectrometry (DART-MS) was applied to generate the metabolite profile of control and treated leaves. DART analysis revealed the activation of phenylpropanoid pathway by chitosan molecule, targeting the synthesis of diverse classes of flavonoids and their glycosides. Important metabolites of stress response were also visible in the DART spectra, including proline and free sugars.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Food Chemistry},\n\tauthor = {Singh, Shachi},\n\tmonth = may,\n\tyear = {2016},\n\tpages = {176--184},\n}\n\n\n\n
\n
\n\n\n
\n Phytochemicals are health promoting compounds, synthesized by the plants to protect them against biotic or abiotic stress. The metabolic pathways leading to the synthesis of these phytochemicals are highly inducible; therefore methods could be developed to enhance their production by the exogenous application of chemical inducers/elicitors. In the present experiment, chitosan was used as an elicitor molecule to improve the phytochemical content of spinach plant. When applied at a concentration of 0.01 mg/ml as a foliar spray, chitosan was able to cause an increase in the enzymatic (peroxidase, catalase and phenylalanine ammonium lyase (PAL)) and non enzymatic (total phenolics, flavonoids and proteins) defensive metabolites, as well as, in the total antioxidant activity of the spinach leaves. A 1.7-fold increase in the total phenolics, a 2-fold increase in total flavonoid and a 1.6-fold increase in total protein were achieved with the treatment. A higher level of enzymatic activity was observed with a 4-fold increase in peroxidase and approximately 3-fold increases in catalase and phenylalanine ammonium lyase activity. Antioxidant activity showed a positive correlation between phenolic compounds and the enzymatic activity. Direct analysis in real time mass spectrometry (DART-MS) was applied to generate the metabolite profile of control and treated leaves. DART analysis revealed the activation of phenylpropanoid pathway by chitosan molecule, targeting the synthesis of diverse classes of flavonoids and their glycosides. Important metabolites of stress response were also visible in the DART spectra, including proline and free sugars.\n
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\n \n\n \n \n \n \n \n \n The use of Direct Analysis in Real Time (DART) to assess the levels of inhibitors co-extracted with DNA and the associated impact in quantification and amplification.\n \n \n \n \n\n\n \n Moreno, L. I.; and McCord, B. R.\n\n\n \n\n\n\n ELECTROPHORESIS,n/a–n/a. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{moreno_use_2016,\n\ttitle = {The use of {Direct} {Analysis} in {Real} {Time} ({DART}) to assess the levels of inhibitors co-extracted with {DNA} and the associated impact in quantification and amplification},\n\tissn = {01730835},\n\turl = {http://doi.wiley.com/10.1002/elps.201500480},\n\tdoi = {10.1002/elps.201500480},\n\tabstract = {The measure of quality in DNA sample processing starts with an effective nucleic acid isolation procedure. Most problems with DNA sample typing can be attributed to low quantity DNA and/or to the presence of inhibitors in the sample. Therefore, establishing\nwhich isolation method is best at removing potential inhibitors may help overcome some\nof the problems analysts encounter by providing useful information in the determination of the optimal approach for any given sample. Direct analysis in real time (DART) mass spectrometry was used in this study to investigate the ability of different extraction methods\nto remove PCR inhibitors. Methods investigated included both liquid/liquid (phenol–chloroform) and solid phase based robotic procedures, (PrepFiler TM and EZ1 chemistries).\nFollowing extraction, samples were analyzed by DART in order to determine the level of remaining inhibitors and then quantified and amplified to determine the effect any remaining inhibitor had on the overall results. The data suggests that organic extraction methods result in detrimental amounts of phenol carryover while automated methods\nmay produce carry-over of bile salts and other chemicals that preferentially bind the solid phase matrix. Both of these effects can have a negative impact in downstream sample processing and genotyping by PCR.},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {ELECTROPHORESIS},\n\tauthor = {Moreno, Lilliana I. and McCord, Bruce R.},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {n/a--n/a},\n}\n\n\n\n
\n
\n\n\n
\n The measure of quality in DNA sample processing starts with an effective nucleic acid isolation procedure. Most problems with DNA sample typing can be attributed to low quantity DNA and/or to the presence of inhibitors in the sample. Therefore, establishing which isolation method is best at removing potential inhibitors may help overcome some of the problems analysts encounter by providing useful information in the determination of the optimal approach for any given sample. Direct analysis in real time (DART) mass spectrometry was used in this study to investigate the ability of different extraction methods to remove PCR inhibitors. Methods investigated included both liquid/liquid (phenol–chloroform) and solid phase based robotic procedures, (PrepFiler TM and EZ1 chemistries). Following extraction, samples were analyzed by DART in order to determine the level of remaining inhibitors and then quantified and amplified to determine the effect any remaining inhibitor had on the overall results. The data suggests that organic extraction methods result in detrimental amounts of phenol carryover while automated methods may produce carry-over of bile salts and other chemicals that preferentially bind the solid phase matrix. Both of these effects can have a negative impact in downstream sample processing and genotyping by PCR.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time (DART) of an Organothiophosphate at Ultrahigh Resolution by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry and Tandem Mass Spectrometry.\n \n \n \n \n\n\n \n Prokai, L.; and Stevens, S.\n\n\n \n\n\n\n International Journal of Molecular Sciences, 17(1): 116. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{prokai_direct_2016,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) of an {Organothiophosphate} at {Ultrahigh} {Resolution} by {Fourier} {Transform} {Ion} {Cyclotron} {Resonance} {Mass} {Spectrometry} and {Tandem} {Mass} {Spectrometry}},\n\tvolume = {17},\n\tissn = {1422-0067},\n\turl = {http://www.mdpi.com/1422-0067/17/1/116},\n\tdoi = {10.3390/ijms17010116},\n\tabstract = {Direct analysis in real time (DART) is a recently developed ambient ionization technique for mass spectrometry to enable rapid and sensitive analyses with little or no sample preparation. After swab-based field sampling, the organothiophosphate malathion was analyzed using DART-Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS) and tandem mass spectrometry (MS/MS). Mass resolution was documented to be over 800,000 in full-scan MS mode and over 1,000,000 for an MS/MS product ion produced by collision-induced dissociation of the protonated analyte. Mass measurement accuracy below 1 ppm was obtained for all DART-generated ions that belonged to the test compound in the mass spectra acquired using only external mass calibration. This high mass measurement accuracy, achievable at present only through FTMS, was required for unequivocal identification of the corresponding molecular formulae.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-29},\n\tjournal = {International Journal of Molecular Sciences},\n\tauthor = {Prokai, Laszlo and Stevens, Stanley},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {116},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is a recently developed ambient ionization technique for mass spectrometry to enable rapid and sensitive analyses with little or no sample preparation. After swab-based field sampling, the organothiophosphate malathion was analyzed using DART-Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS) and tandem mass spectrometry (MS/MS). Mass resolution was documented to be over 800,000 in full-scan MS mode and over 1,000,000 for an MS/MS product ion produced by collision-induced dissociation of the protonated analyte. Mass measurement accuracy below 1 ppm was obtained for all DART-generated ions that belonged to the test compound in the mass spectra acquired using only external mass calibration. This high mass measurement accuracy, achievable at present only through FTMS, was required for unequivocal identification of the corresponding molecular formulae.\n
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\n \n\n \n \n \n \n \n \n The qualitative and quantitative analysis of lubricant oil additives by direct analysis in real time-mass spectrometry.\n \n \n \n \n\n\n \n Da Costa, C.; Whitmarsh, S.; Lynch, T.; and Creaser, C. S.\n\n\n \n\n\n\n International Journal of Mass Spectrometry. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{da_costa_qualitative_2016,\n\ttitle = {The qualitative and quantitative analysis of lubricant oil additives by direct analysis in real time-mass spectrometry},\n\tissn = {13873806},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1387380616300525},\n\tdoi = {10.1016/j.ijms.2016.05.011},\n\tabstract = {The application of direct analysis in real time combined with mass spectrometry (DART-MS) to the qualitative analysis of lubricant and oil additives, and the quantitative analysis of a lubricant antioxidant additive is reported. The additives were analysed alone and in the presence of a base oil matrix, from filter paper, glass and steel surfaces, showing the potential of the DART-MS technique for the direct, rapid analysis of lubricant oil additives. The quantitative capabilities of the technique were evaluated for the antioxidant in an oil matrix at concentrations in the range 0.1–8 mg/mL in oil (1–80 μg antioxidant on spot), using a structural analogue of the antioxidant as an internal standard. The linearity (R2 = 0.997), precision (\\% RSD = 2.6\\%) and LOD (0.04 mg/mL in oil) of the method demonstrates that DART-MS is capable of the rapid determination of additives in oil without pre-extraction.},\n\tlanguage = {en},\n\turldate = {2016-05-24},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Da Costa, Caitlyn and Whitmarsh, Samuel and Lynch, Tom and Creaser, Colin S.},\n\tmonth = may,\n\tyear = {2016},\n}\n\n\n\n
\n
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\n The application of direct analysis in real time combined with mass spectrometry (DART-MS) to the qualitative analysis of lubricant and oil additives, and the quantitative analysis of a lubricant antioxidant additive is reported. The additives were analysed alone and in the presence of a base oil matrix, from filter paper, glass and steel surfaces, showing the potential of the DART-MS technique for the direct, rapid analysis of lubricant oil additives. The quantitative capabilities of the technique were evaluated for the antioxidant in an oil matrix at concentrations in the range 0.1–8 mg/mL in oil (1–80 μg antioxidant on spot), using a structural analogue of the antioxidant as an internal standard. The linearity (R2 = 0.997), precision (% RSD = 2.6%) and LOD (0.04 mg/mL in oil) of the method demonstrates that DART-MS is capable of the rapid determination of additives in oil without pre-extraction.\n
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\n \n\n \n \n \n \n \n \n Ambient Ionisation–High-Resolution Mass Spectrometry: Environmental, Food, Forensic and Doping analysis.\n \n \n \n \n\n\n \n Seró, R.; Núñez, ó.; and Moyano, E.\n\n\n \n\n\n\n In Comprehensive Analytical Chemistry. Elsevier, 2016.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{sero_ambient_2016,\n\ttitle = {Ambient {Ionisation}–{High}-{Resolution} {Mass} {Spectrometry}: {Environmental}, {Food}, {Forensic} and {Doping} analysis},\n\tshorttitle = {Ambient {Ionisation}–{High}-{Resolution} {Mass} {Spectrometry}},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0166526X16300034},\n\tabstract = {Nowadays, laboratories belonging to different areas such as toxicology, clinical chemistry, forensics, doping as well as environmental and food analysis are interested in cost-effective methodologies able to cope with the fast screening of complex matrices. 'Ambient ionisation' techniques appear as powerful direct analysis approaches for the fast screening of samples with minimal or no sample preparation or chromatographic separation prior to analysis. However, their combination with high-resolution mass spectrometry becomes a necessity to solve several matrix-related problems arising from the presence of isobaric interferences or sensitivity issues. In this chapter, the application of ambient ionisation-high-resolution mass spectrometry in environmental, food, forensic and doping analysis will be addressed. Coverage of all kind of applications is beyond the scope of the present contribution, so we will focus mainly on desorption electrospray ionisation and direct analysis in real time in combination with high-resolution mass spectrometry.},\n\tlanguage = {en},\n\turldate = {2016-06-01},\n\tbooktitle = {Comprehensive {Analytical} {Chemistry}},\n\tpublisher = {Elsevier},\n\tauthor = {Seró, R. and Núñez, ó. and Moyano, E.},\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n Nowadays, laboratories belonging to different areas such as toxicology, clinical chemistry, forensics, doping as well as environmental and food analysis are interested in cost-effective methodologies able to cope with the fast screening of complex matrices. 'Ambient ionisation' techniques appear as powerful direct analysis approaches for the fast screening of samples with minimal or no sample preparation or chromatographic separation prior to analysis. However, their combination with high-resolution mass spectrometry becomes a necessity to solve several matrix-related problems arising from the presence of isobaric interferences or sensitivity issues. In this chapter, the application of ambient ionisation-high-resolution mass spectrometry in environmental, food, forensic and doping analysis will be addressed. Coverage of all kind of applications is beyond the scope of the present contribution, so we will focus mainly on desorption electrospray ionisation and direct analysis in real time in combination with high-resolution mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Tandem DART™ MS Methods for Methadone Analysis in Unprocessed Urine.\n \n \n \n \n\n\n \n Beck, R.; Carter, P.; Shonsey, E.; and Graves, D.\n\n\n \n\n\n\n Journal of Analytical Toxicology, 40(2): 140–147. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"TandemPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{beck_tandem_2016,\n\ttitle = {Tandem {DART}™ {MS} {Methods} for {Methadone} {Analysis} in {Unprocessed} {Urine}},\n\tvolume = {40},\n\tissn = {0146-4760, 1945-2403},\n\turl = {http://jat.oxfordjournals.org/lookup/doi/10.1093/jat/bkv128},\n\tdoi = {10.1093/jat/bkv128},\n\tabstract = {Current methods of methadone analysis in untreated urine are traditionally limited to enzyme immunoassays (EIA) while confirmation techniques require specimen processing (i.e., sample clean-up) before analyzing by gas or liquid chromatography coupled with mass spectrometry (GC-MS or LC-MS-MS). EIA and traditional confirmation techniques can be costly and, at times inefficient. As an alternative approach, we present Direct Analysis in Real Time (DART™) coupled with both time-of-flight and triple quadrupole linear ion trap (Q-TRAP™) mass spectrometers for screening and confirming methadone in untreated urine specimens. These approaches require neither expensive kits nor sample clean-up for analysis. More importantly, the total combined analysis time for both screening and confirmation methods was {\\textless}5 min per sample; in contrast to the 3-5 day process required by traditional EIA, GC-MS and LC-MS-MS techniques. To examine the fundamental protocol and its applicability for routine drug screening, studies were performed that included limits of detection, precision, selectivity and specificity, sample recovery and stability and method robustness. The methods described in this report were determined to be highly specific and selective; allowing for detection of methadone at 250 ng/mL, consistent with cutoffs for current EIA techniques (300 ng/mL). The results reported here demonstrate the DART™ MS platform provides rapid and selective methadone analysis and the potential for providing savings of both time and resources compared with current analysis procedures.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-03-22},\n\tjournal = {Journal of Analytical Toxicology},\n\tauthor = {Beck, Rachel and Carter, Patrick and Shonsey, Erin and Graves, David},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {140--147},\n}\n\n\n\n
\n
\n\n\n
\n Current methods of methadone analysis in untreated urine are traditionally limited to enzyme immunoassays (EIA) while confirmation techniques require specimen processing (i.e., sample clean-up) before analyzing by gas or liquid chromatography coupled with mass spectrometry (GC-MS or LC-MS-MS). EIA and traditional confirmation techniques can be costly and, at times inefficient. As an alternative approach, we present Direct Analysis in Real Time (DART™) coupled with both time-of-flight and triple quadrupole linear ion trap (Q-TRAP™) mass spectrometers for screening and confirming methadone in untreated urine specimens. These approaches require neither expensive kits nor sample clean-up for analysis. More importantly, the total combined analysis time for both screening and confirmation methods was \\textless5 min per sample; in contrast to the 3-5 day process required by traditional EIA, GC-MS and LC-MS-MS techniques. To examine the fundamental protocol and its applicability for routine drug screening, studies were performed that included limits of detection, precision, selectivity and specificity, sample recovery and stability and method robustness. The methods described in this report were determined to be highly specific and selective; allowing for detection of methadone at 250 ng/mL, consistent with cutoffs for current EIA techniques (300 ng/mL). The results reported here demonstrate the DART™ MS platform provides rapid and selective methadone analysis and the potential for providing savings of both time and resources compared with current analysis procedures.\n
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\n \n\n \n \n \n \n \n \n Forensic Chemistry and Ambient Mass Spectrometry: A Perfect Couple Destined for a Happy Marriage?.\n \n \n \n \n\n\n \n Correa, D. N.; Santos, J. M.; Eberlin, L. S.; Eberlin, M. N.; and Teunissen, S. F.\n\n\n \n\n\n\n Analytical Chemistry, 88(5): 2515–2526. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ForensicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{correa_forensic_2016,\n\ttitle = {Forensic {Chemistry} and {Ambient} {Mass} {Spectrometry}: {A} {Perfect} {Couple} {Destined} for a {Happy} {Marriage}?},\n\tvolume = {88},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Forensic {Chemistry} and {Ambient} {Mass} {Spectrometry}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.analchem.5b02397},\n\tdoi = {10.1021/acs.analchem.5b02397},\n\tabstract = {Ambient mass spectrometry has been demonstrated, via various proof-of-concept studies, to o\nff\ner a\npowerful, rather universal, simple, fast, nondestructive, and robust tool in forensic chemistry,\nproducing reliable evidence at the molecular level. Its nearly nondestructive nature also preserves the\nsample for further inquiries. This feature article demonstrates the applicability of ambient mass\nspectrometry in forensic chemistry and explains the challenges that need to be overcome for this\ntechnique to make the ultimate step from the academic world into forensic institutes worldwide. We\nanticipate that the many bene\nfi\ncial and matching\nfi\ngures of merit will bring forensic chemistry and\nambient mass spectrometry to a long-term relationship, which is likely to get strongly consolidated\nover the years.},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-04-26},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Correa, Deleon N. and Santos, Jandyson M. and Eberlin, Livia S. and Eberlin, Marcos N. and Teunissen, Sebastiaan F.},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {2515--2526},\n}\n\n\n\n
\n
\n\n\n
\n Ambient mass spectrometry has been demonstrated, via various proof-of-concept studies, to o ff er a powerful, rather universal, simple, fast, nondestructive, and robust tool in forensic chemistry, producing reliable evidence at the molecular level. Its nearly nondestructive nature also preserves the sample for further inquiries. This feature article demonstrates the applicability of ambient mass spectrometry in forensic chemistry and explains the challenges that need to be overcome for this technique to make the ultimate step from the academic world into forensic institutes worldwide. We anticipate that the many bene fi cial and matching fi gures of merit will bring forensic chemistry and ambient mass spectrometry to a long-term relationship, which is likely to get strongly consolidated over the years.\n
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\n \n\n \n \n \n \n \n \n Detection of polydimethylsiloxanes transferred from silicone-coated parchment paper to baked goods using direct analysis in real time mass spectrometry: DART detects silicone on food baked on parchment.\n \n \n \n \n\n\n \n Jakob, A.; Crawford, E. A.; and Gross, J. H.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 51(4): 298–304. April 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jakob_detection_2016,\n\ttitle = {Detection of polydimethylsiloxanes transferred from silicone-coated parchment paper to baked goods using direct analysis in real time mass spectrometry: {DART} detects silicone on food baked on parchment},\n\tvolume = {51},\n\tissn = {10765174},\n\tshorttitle = {Detection of polydimethylsiloxanes transferred from silicone-coated parchment paper to baked goods using direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/jms.3757},\n\tdoi = {10.1002/jms.3757},\n\tlanguage = {en},\n\tnumber = {4},\n\turldate = {2016-05-20},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Jakob, Andreas and Crawford, Elizabeth A. and Gross, Jürgen H.},\n\tmonth = apr,\n\tyear = {2016},\n\tpages = {298--304},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Fingerprinting of falsified artemisinin combination therapies via direct analysis in real time coupled to a compact single quadrupole mass spectrometer.\n \n \n \n \n\n\n \n Bernier, M. C.; Li, F.; Musselman, B.; Newton, P. N.; and Fernández, F. M.\n\n\n \n\n\n\n Anal. Methods. 2016.\n \n\n\n\n
\n\n\n\n \n \n \"FingerprintingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bernier_fingerprinting_2016,\n\ttitle = {Fingerprinting of falsified artemisinin combination therapies via direct analysis in real time coupled to a compact single quadrupole mass spectrometer},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C6AY01418F},\n\tdoi = {10.1039/C6AY01418F},\n\tabstract = {Falsified anti-malarial treatments continue to constitute a major health crisis, especially in malarious Africa. Even after detection of poor quality pharmaceuticals, it is critical that they be fully analyzed to determine their components, in order to assess their health effects and ultimately allow forensic tracing of their sources of production and distribution. Timely assessment requires robust and complete field-testing, or at the very least timely analysis after seizure or purchase. Ideally, low-cost and simple analytical equipment such as portable mass spectrometry (MS) is the best approach for achieving this quick and informative analysis. To date, Direct Analysis in Real Time (DART) MS has been successfully implemented to rapidly analyze falsified artemisinin-based combination therapies (ACTs) in laboratory settings, but this approach typically translates into high-cost and the need for high-resolution instrumentation. Here, we examine the use of DART ionization coupled with a portable low-resolution single-quadrupole instrument, and compare its success in fingerprinting anti-malarial tablets with higher resolution instrumentation. Using single quadrupole DART-MS, the same sample components were detected as with the high-resolution instrument, while needing significantly less consumables and power, and the additional advantages of increased portability and ease of use. Using Principal Component Analysis (PCA) of DART data, specific classes of falsified ACTs were identified, providing a more straightforward method for sourcing counterfeits and assessing their similarities.},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {Anal. Methods},\n\tauthor = {Bernier, Matthew C. and Li, Frederick and Musselman, Brian and Newton, Paul N. and Fernández, Facundo M.},\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n Falsified anti-malarial treatments continue to constitute a major health crisis, especially in malarious Africa. Even after detection of poor quality pharmaceuticals, it is critical that they be fully analyzed to determine their components, in order to assess their health effects and ultimately allow forensic tracing of their sources of production and distribution. Timely assessment requires robust and complete field-testing, or at the very least timely analysis after seizure or purchase. Ideally, low-cost and simple analytical equipment such as portable mass spectrometry (MS) is the best approach for achieving this quick and informative analysis. To date, Direct Analysis in Real Time (DART) MS has been successfully implemented to rapidly analyze falsified artemisinin-based combination therapies (ACTs) in laboratory settings, but this approach typically translates into high-cost and the need for high-resolution instrumentation. Here, we examine the use of DART ionization coupled with a portable low-resolution single-quadrupole instrument, and compare its success in fingerprinting anti-malarial tablets with higher resolution instrumentation. Using single quadrupole DART-MS, the same sample components were detected as with the high-resolution instrument, while needing significantly less consumables and power, and the additional advantages of increased portability and ease of use. Using Principal Component Analysis (PCA) of DART data, specific classes of falsified ACTs were identified, providing a more straightforward method for sourcing counterfeits and assessing their similarities.\n
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\n \n\n \n \n \n \n \n \n Phase, composition, and growth mechanism for secondary organic aerosol from the ozonolysis of <i>α</i>-cedrene.\n \n \n \n \n\n\n \n Zhao, Y.; Wingen, L. M.; Perraud, V.; and Finlayson-Pitts, B. J.\n\n\n \n\n\n\n Atmospheric Chemistry and Physics, 16(5): 3245–3264. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"Phase,Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhao_phase_2016,\n\ttitle = {Phase, composition, and growth mechanism for secondary organic aerosol from the ozonolysis of \\&lt;i\\&gt;α\\&lt;/i\\&gt;-cedrene},\n\tvolume = {16},\n\tissn = {1680-7324},\n\turl = {http://www.atmos-chem-phys.net/16/3245/2016/},\n\tdoi = {10.5194/acp-16-3245-2016},\n\tabstract = {Sesquiterpenes are an important class of biogenic volatile organic compounds (BVOCs) and have a high secondary organic aerosol (SOA) forming potential. However, SOA formation from sesquiterpene oxidation has received less attention compared to other BVOCs such as monoterpenes, and the underlying mechanisms remain poorly understood. In this work, we present a comprehensive experimental investigation of the ozonolysis of α-cedrene both in a glass flow reactor (27-44 s reaction times) and in static Teflon chambers (30-60 min reaction times). The SOA was collected by impaction or filters, followed by analysis using attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy and electrospray ionization mass spectrometry (ESI-MS), or measured online using direct analysis in real-time mass spectrometry (DART-MS) and aerosol mass spectrometry (AMS). The slow evaporation of 2-ethylhexyl nitrate that was incorporated into the SOA during its formation and growth gives an estimated diffusion coefficient of 3 × 10-15 cm2 s-1 and shows that SOA is a highly viscous semisolid. Possible structures of four newly observed low molecular weight (MW ≤ 300 Da) reaction products with higher oxygen content than those previously reported were identified. High molecular weight (HMW) products formed in the early stages of the oxidation have structures consistent with aldol condensation products, peroxyhemiacetals, and esters. The size-dependent distributions of HMW products in the SOA, as well as the effects of stabilized Criegee intermediate (SCI) scavengers on HMW products and particle formation, confirm that HMW products and reactions of SCI play a crucial role in early stages of particle formation. Our studies provide new insights into mechanisms of SOA formation and growth in α-cedrene ozonolysis and the important role of sesquiterpenes in new particle formation as suggested by field measurements.},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-04-26},\n\tjournal = {Atmospheric Chemistry and Physics},\n\tauthor = {Zhao, Yue and Wingen, Lisa M. and Perraud, Véronique and Finlayson-Pitts, Barbara J.},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {3245--3264},\n}\n\n\n\n
\n
\n\n\n
\n Sesquiterpenes are an important class of biogenic volatile organic compounds (BVOCs) and have a high secondary organic aerosol (SOA) forming potential. However, SOA formation from sesquiterpene oxidation has received less attention compared to other BVOCs such as monoterpenes, and the underlying mechanisms remain poorly understood. In this work, we present a comprehensive experimental investigation of the ozonolysis of α-cedrene both in a glass flow reactor (27-44 s reaction times) and in static Teflon chambers (30-60 min reaction times). The SOA was collected by impaction or filters, followed by analysis using attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy and electrospray ionization mass spectrometry (ESI-MS), or measured online using direct analysis in real-time mass spectrometry (DART-MS) and aerosol mass spectrometry (AMS). The slow evaporation of 2-ethylhexyl nitrate that was incorporated into the SOA during its formation and growth gives an estimated diffusion coefficient of 3 × 10-15 cm2 s-1 and shows that SOA is a highly viscous semisolid. Possible structures of four newly observed low molecular weight (MW ≤ 300 Da) reaction products with higher oxygen content than those previously reported were identified. High molecular weight (HMW) products formed in the early stages of the oxidation have structures consistent with aldol condensation products, peroxyhemiacetals, and esters. The size-dependent distributions of HMW products in the SOA, as well as the effects of stabilized Criegee intermediate (SCI) scavengers on HMW products and particle formation, confirm that HMW products and reactions of SCI play a crucial role in early stages of particle formation. Our studies provide new insights into mechanisms of SOA formation and growth in α-cedrene ozonolysis and the important role of sesquiterpenes in new particle formation as suggested by field measurements.\n
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\n \n\n \n \n \n \n \n \n Mechanosensitivity below Ground: Touch-Sensitive Smell-Producing Roots in the Shy Plant Mimosa pudica.\n \n \n \n \n\n\n \n Musah, R. A.; Lesiak, A. D.; Maron, M. J.; Cody, R. B.; Edwards, D.; Fowble, K. L.; Dane, A. J.; and Long, M. C.\n\n\n \n\n\n\n Plant Physiology, 170(2): 1075–1089. February 2016.\n \n\n\n\n
\n\n\n\n \n \n \"MechanosensitivityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{musah_mechanosensitivity_2016,\n\ttitle = {Mechanosensitivity below {Ground}: {Touch}-{Sensitive} {Smell}-{Producing} {Roots} in the {Shy} {Plant} {Mimosa} pudica},\n\tvolume = {170},\n\tissn = {0032-0889, 1532-2548},\n\tshorttitle = {Mechanosensitivity below {Ground}},\n\turl = {http://www.plantphysiol.org/lookup/doi/10.1104/pp.15.01705},\n\tdoi = {10.1104/pp.15.01705},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-03-22},\n\tjournal = {Plant Physiology},\n\tauthor = {Musah, Rabi A. and Lesiak, Ashton D. and Maron, Max J. and Cody, Robert B. and Edwards, David and Fowble, Kristen L. and Dane, A. John and Long, Michael C.},\n\tmonth = feb,\n\tyear = {2016},\n\tpages = {1075--1089},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Identification of print-related contaminants in food packaging.\n \n \n \n \n\n\n \n Lago, M. A.; and Ackerman, L. K.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 33(3): 518–529. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lago_identification_2016,\n\ttitle = {Identification of print-related contaminants in food packaging},\n\tvolume = {33},\n\tissn = {1944-0049, 1944-0057},\n\turl = {http://www.tandfonline.com/doi/full/10.1080/19440049.2015.1136435},\n\tdoi = {10.1080/19440049.2015.1136435},\n\tabstract = {Since the UV ink photoinitiator (PI) isopropylthioxanthone (ITX) was discovered in packaged milk, studies of print contamination have focused primarily on PIs but have also included amine synergists. Many other substances are used or formed during the print process, yet their identity and set-off properties have yet to be catalogued in food packaging. Three different techniques: direct analysis in real-time high-resolution mass spectrometry (DART-HRMS), gas chromatography-mass spectrometry (GC-MS) and ultra-high-pressure liquid chromatography electrospray ionisation/HRMS (UHPLC/ESI-HRMS) were used to detect and identify print-related molecules from the food-contact and print surfaces of three different packages with under-cured prints. This approach tentatively identified or confirmed 110 compounds, including 35 print-related molecules. The majority of compounds identified on food-contact surfaces were packaging monomers/byproducts, solvents/plasticisers, antioxidants/degradants or slip agents/lubricants. Of these, 28 showed evidence of set-off. The identities of 16 PIs, seven known scission products and five probable PI degradants were confirmed, most showing signs of set-off. Of the print-related molecules, at least five are novel print contaminants such as 4-morpholin-4-yl-benzaldehyde or 3-phenyl-2-benzofuran-1(3H)-one.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-03-22},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Lago, Miguel A. and Ackerman, Luke K.},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {518--529},\n}\n\n\n\n
\n
\n\n\n
\n Since the UV ink photoinitiator (PI) isopropylthioxanthone (ITX) was discovered in packaged milk, studies of print contamination have focused primarily on PIs but have also included amine synergists. Many other substances are used or formed during the print process, yet their identity and set-off properties have yet to be catalogued in food packaging. Three different techniques: direct analysis in real-time high-resolution mass spectrometry (DART-HRMS), gas chromatography-mass spectrometry (GC-MS) and ultra-high-pressure liquid chromatography electrospray ionisation/HRMS (UHPLC/ESI-HRMS) were used to detect and identify print-related molecules from the food-contact and print surfaces of three different packages with under-cured prints. This approach tentatively identified or confirmed 110 compounds, including 35 print-related molecules. The majority of compounds identified on food-contact surfaces were packaging monomers/byproducts, solvents/plasticisers, antioxidants/degradants or slip agents/lubricants. Of these, 28 showed evidence of set-off. The identities of 16 PIs, seven known scission products and five probable PI degradants were confirmed, most showing signs of set-off. Of the print-related molecules, at least five are novel print contaminants such as 4-morpholin-4-yl-benzaldehyde or 3-phenyl-2-benzofuran-1(3H)-one.\n
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\n \n\n \n \n \n \n \n \n (Un)targeted Scanning of Locks of Hair for Drugs of Abuse by Direct Analysis in Real Time–High-Resolution Mass Spectrometry.\n \n \n \n \n\n\n \n Duvivier, W. F.; van Putten, M. R.; van Beek, T. A.; and Nielen, M. W. F.\n\n\n \n\n\n\n Analytical Chemistry, 88(4): 2489–2496. February 2016.\n \n\n\n\n
\n\n\n\n \n \n \"(Un)targetedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{duvivier_targeted_2016,\n\ttitle = {({Un})targeted {Scanning} of {Locks} of {Hair} for {Drugs} of {Abuse} by {Direct} {Analysis} in {Real} {Time}–{High}-{Resolution} {Mass} {Spectrometry}},\n\tvolume = {88},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.analchem.5b04759},\n\tdoi = {10.1021/acs.analchem.5b04759},\n\tabstract = {Forensic hair evidence can be used to obtain retrospective timelines of drug use by analysis of hair segments. However, this is a laborious and time-consuming process, and mass spectrometric (MS) imaging techniques, which show great potential for single-hair targeted analysis, are less useful due to differences in hair growth rate between individual hairs. As an alternative, a fast untargeted analysis method was developed that uses direct analysis in real time-high-resolution mass spectrometry (DART-HRMS) to longitudinally scan intact locks of hair without extensive sample preparation or segmentation. The hair scan method was validated for cocaine against an accredited liquid chromatography/tandem mass spectrometry (LC/MS/MS) method. The detection limit for cocaine in hair was found to comply with the cutoff value of 0.5 ng/mg recommended by the Society of Hair Testing; that is, the DART hair scan method is amenable to forensic cases. Under DART conditions, no significant thermal degradation of cocaine occurred. The standard DART spot size of 5.1 ± 1.1 mm could be improved to 3.3 ± 1.0 mm, corresponding to approximately 10 days of hair growth, by using a high spatial resolution exit cone. By use of data-dependent product ion scans, multiple drugs of abuse could be detected in a single drug user hair scan with confirmation of identity by both exact mass and MS/HRMS fragmentation patterns. Furthermore, full-scan high-resolution data were retrospectively interrogated versus a list of more than 100 compounds and revealed additional hits and temporal profiles in good correlation with reported drug use.},\n\tlanguage = {en},\n\tnumber = {4},\n\turldate = {2016-03-22},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Duvivier, Wilco F. and van Putten, Marc R. and van Beek, Teris A. and Nielen, Michel W. F.},\n\tmonth = feb,\n\tyear = {2016},\n\tpages = {2489--2496},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Forensic hair evidence can be used to obtain retrospective timelines of drug use by analysis of hair segments. However, this is a laborious and time-consuming process, and mass spectrometric (MS) imaging techniques, which show great potential for single-hair targeted analysis, are less useful due to differences in hair growth rate between individual hairs. As an alternative, a fast untargeted analysis method was developed that uses direct analysis in real time-high-resolution mass spectrometry (DART-HRMS) to longitudinally scan intact locks of hair without extensive sample preparation or segmentation. The hair scan method was validated for cocaine against an accredited liquid chromatography/tandem mass spectrometry (LC/MS/MS) method. The detection limit for cocaine in hair was found to comply with the cutoff value of 0.5 ng/mg recommended by the Society of Hair Testing; that is, the DART hair scan method is amenable to forensic cases. Under DART conditions, no significant thermal degradation of cocaine occurred. The standard DART spot size of 5.1 ± 1.1 mm could be improved to 3.3 ± 1.0 mm, corresponding to approximately 10 days of hair growth, by using a high spatial resolution exit cone. By use of data-dependent product ion scans, multiple drugs of abuse could be detected in a single drug user hair scan with confirmation of identity by both exact mass and MS/HRMS fragmentation patterns. Furthermore, full-scan high-resolution data were retrospectively interrogated versus a list of more than 100 compounds and revealed additional hits and temporal profiles in good correlation with reported drug use.\n
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\n \n\n \n \n \n \n \n \n Petroleomics by Direct Analysis in Real Time-Mass Spectrometry.\n \n \n \n \n\n\n \n Romão, W.; Tose, L. V.; Vaz, B. G.; Sama, S. G.; Lobinski, R.; Giusti, P.; Carrier, H.; and Bouyssiere, B.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 27(1): 182–185. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"PetroleomicsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{romao_petroleomics_2016,\n\ttitle = {Petroleomics by {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry}},\n\tvolume = {27},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-015-1266-z},\n\tdoi = {10.1007/s13361-015-1266-z},\n\tabstract = {The analysis of crude oil and its fractions by applying ambient ionization techniques remains underexplored in mass spectrometry (MS). Direct analysis in real time (DART) in the positive-ion mode was coupled to a linear quadrupole ion trap Orbitrap mass spectrometer (LTQ Orbitrap) to analyze crude oil, paraffin samples, and porphyrin standard compounds. The ionization parameters of DART-MS were optimized for crude oil analysis. DART-MS rendered the optimum conditions of the operation using paper as the substrate, T = 400°C, helium as the carrier gas, and a sample concentration 6 mg mL-1. In the crude oils analysis, the DART(+)-Orbitrap mass spectra detected the typical N, NO, and O-containing compounds. In the paraffin samples, oxidized hydrocarbon species (Ox classes, where x = 1-4) with double-bond equivalent of 1-4 were detected, and their structures and connectivity were confirmed by collision-induced dissociation (CID) experiments. DART(+)-MS has identified the porphyrin standard compounds as [M + H]+ ions of m/z 615.2502 and 680.1763, where M = C44H30N4 and C44H28N4OV, respectively, based on the formula assignment and by phenyl losses observed on CID experiments.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-29},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Romão, Wanderson and Tose, Lilian V. and Vaz, Boniek G. and Sama, Sara G. and Lobinski, Ryszard and Giusti, Pierre and Carrier, Hervé and Bouyssiere, Brice},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {182--185},\n}\n\n\n\n
\n
\n\n\n
\n The analysis of crude oil and its fractions by applying ambient ionization techniques remains underexplored in mass spectrometry (MS). Direct analysis in real time (DART) in the positive-ion mode was coupled to a linear quadrupole ion trap Orbitrap mass spectrometer (LTQ Orbitrap) to analyze crude oil, paraffin samples, and porphyrin standard compounds. The ionization parameters of DART-MS were optimized for crude oil analysis. DART-MS rendered the optimum conditions of the operation using paper as the substrate, T = 400°C, helium as the carrier gas, and a sample concentration 6 mg mL-1. In the crude oils analysis, the DART(+)-Orbitrap mass spectra detected the typical N, NO, and O-containing compounds. In the paraffin samples, oxidized hydrocarbon species (Ox classes, where x = 1-4) with double-bond equivalent of 1-4 were detected, and their structures and connectivity were confirmed by collision-induced dissociation (CID) experiments. DART(+)-MS has identified the porphyrin standard compounds as [M + H]+ ions of m/z 615.2502 and 680.1763, where M = C44H30N4 and C44H28N4OV, respectively, based on the formula assignment and by phenyl losses observed on CID experiments.\n
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\n \n\n \n \n \n \n \n \n Characterization of Printing Inks Using DART-Q-TOF-MS and Attenuated Total Reflectance (ATR) FTIR.\n \n \n \n \n\n\n \n Williamson, R.; Raeva, A.; and Almirall, J. R.\n\n\n \n\n\n\n Journal of Forensic Sciences, 61(3): 706–714. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{williamson_characterization_2016,\n\ttitle = {Characterization of {Printing} {Inks} {Using} {DART}-{Q}-{TOF}-{MS} and {Attenuated} {Total} {Reflectance} ({ATR}) {FTIR}},\n\tvolume = {61},\n\tissn = {00221198},\n\turl = {http://doi.wiley.com/10.1111/1556-4029.13107},\n\tdoi = {10.1111/1556-4029.13107},\n\tabstract = {The rise in improved and widely accessible printing technology has resulted in an interest to develop rapid and minimally destructive chemical analytical techniques that can characterize printing inks for forensic document analysis. Chemical characterization of printing inks allows for both discrimination of inks originating from different sources and the association of inks originating from the same source. Direct analysis in real-time mass spectrometry (DART-MS) and attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) were used in tandem to analyze four different classes of printing inks: inkjets, toners, offset, and intaglio. A total of 319 samples or {\\textasciitilde} 80 samples from each class were analyzed directly on a paper substrate using the two methods. DART-MS was found to characterize the semi-volatile polymeric vehicle components, while ATR-FTIR provided chemical information associated with the bulk components of these inks. Complimentary data results in improved discrimination when both techniques are used in succession resulting in {\\textgreater}96\\% discrimination for all toners, 95\\% for all inkjets, {\\textgreater}92\\% for all offset, and {\\textgreater}54\\% for all intaglio inks.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-06-01},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Williamson, Rhett and Raeva, Anna and Almirall, Jose R.},\n\tmonth = may,\n\tyear = {2016},\n\tpages = {706--714},\n}\n\n\n\n
\n
\n\n\n
\n The rise in improved and widely accessible printing technology has resulted in an interest to develop rapid and minimally destructive chemical analytical techniques that can characterize printing inks for forensic document analysis. Chemical characterization of printing inks allows for both discrimination of inks originating from different sources and the association of inks originating from the same source. Direct analysis in real-time mass spectrometry (DART-MS) and attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) were used in tandem to analyze four different classes of printing inks: inkjets, toners, offset, and intaglio. A total of 319 samples or ~ 80 samples from each class were analyzed directly on a paper substrate using the two methods. DART-MS was found to characterize the semi-volatile polymeric vehicle components, while ATR-FTIR provided chemical information associated with the bulk components of these inks. Complimentary data results in improved discrimination when both techniques are used in succession resulting in \\textgreater96% discrimination for all toners, 95% for all inkjets, \\textgreater92% for all offset, and \\textgreater54% for all intaglio inks.\n
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\n \n\n \n \n \n \n \n \n Effect-directed discovery of bioactive compounds followed by highly targeted characterization, isolation and identification, exemplarily shown for Solidago virgaurea.\n \n \n \n \n\n\n \n Móricz, Á. M.; Ott, P. G.; Häbe, T. T.; Darcsi, A.; Böszörmenyi, A.; Alberti, Á.; Kruzselyi, D.; Csontos, P.; Béni, S.; and Morlock, G. E.\n\n\n \n\n\n\n Analytical Chemistry. July 2016.\n \n\n\n\n
\n\n\n\n \n \n \"Effect-directedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{moricz_effect-directed_2016,\n\ttitle = {Effect-directed discovery of bioactive compounds followed by highly targeted characterization, isolation and identification, exemplarily shown for {Solidago} virgaurea},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.analchem.6b02007},\n\tdoi = {10.1021/acs.analchem.6b02007},\n\tabstract = {A non-targeted, effect-directed screening (bioprofiling) and a subsequent highly targeted characterization of antibacterial compounds from plant matrices is demonstrated on the example of Solidago virgaurea root extracts. The procedure comprises high-performance thin-layer chromatography (HPTLC) coupled with six bacterial bioassays including two plant pathogens, a radical scavenging assay, an acetylcholinesterase assay as well as in situ and ex situ mass spectrometric analyses. In situ mass spectra were directly recorded from the adsorbent using the Direct Analysis in Real Time interface (HPTLC-DART-MS), whereas ex situ mass spectra were recorded using an elution head-based interface (HPTLC-ESI-MS). For further bioassay-guided isolation of the main antimicrobial compounds, flash chromatographic fractionation and semi-preparative high-performance liquid chromatographic purification were used and nuclear magnetic resonance data allowed the identification of the unknown antimicrobial compounds as 2Z,8Z- and 2E,8Z-matricaria esters. The discovered antibacterial activity was confirmed and specified by a luminometric assay and as minimal inhibitory concentration in the liquid phase.},\n\tlanguage = {en},\n\turldate = {2016-07-26},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Móricz, Ágnes M. and Ott, Péter G. and Häbe, Tim T. and Darcsi, András and Böszörmenyi, Andrea and Alberti, Ágnes and Kruzselyi, Daniel and Csontos, Péter and Béni, Szabolcs and Morlock, Gertrud Elisabeth},\n\tmonth = jul,\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n A non-targeted, effect-directed screening (bioprofiling) and a subsequent highly targeted characterization of antibacterial compounds from plant matrices is demonstrated on the example of Solidago virgaurea root extracts. The procedure comprises high-performance thin-layer chromatography (HPTLC) coupled with six bacterial bioassays including two plant pathogens, a radical scavenging assay, an acetylcholinesterase assay as well as in situ and ex situ mass spectrometric analyses. In situ mass spectra were directly recorded from the adsorbent using the Direct Analysis in Real Time interface (HPTLC-DART-MS), whereas ex situ mass spectra were recorded using an elution head-based interface (HPTLC-ESI-MS). For further bioassay-guided isolation of the main antimicrobial compounds, flash chromatographic fractionation and semi-preparative high-performance liquid chromatographic purification were used and nuclear magnetic resonance data allowed the identification of the unknown antimicrobial compounds as 2Z,8Z- and 2E,8Z-matricaria esters. The discovered antibacterial activity was confirmed and specified by a luminometric assay and as minimal inhibitory concentration in the liquid phase.\n
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\n \n\n \n \n \n \n \n \n Humidity Effects on Fragmentation in Plasma-Based Ambient Ionization Sources.\n \n \n \n \n\n\n \n Newsome, G. A.; Ackerman, L. K.; and Johnson, K. J.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 27(1): 135–143. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"HumidityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{newsome_humidity_2016,\n\ttitle = {Humidity {Effects} on {Fragmentation} in {Plasma}-{Based} {Ambient} {Ionization} {Sources}},\n\tvolume = {27},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-015-1259-y},\n\tdoi = {10.1007/s13361-015-1259-y},\n\tabstract = {Post-plasma ambient desorption/ionization (ADI) sources are fundamentally dependent on surrounding water vapor to produce protonated analyte ions. There are two reports of humidity effects on ADI spectra. However, it is unclear whether humidity will affect all ADI sources and analytes, and by what mechanism humidity affects spectra. Flowing atmospheric pressure afterglow (FAPA) ionization and direct analysis in real time (DART) mass spectra of various surface-deposited and gas-phase analytes were acquired at ambient temperature and pressure across a range of observed humidity values. A controlled humidity enclosure around the ion source and mass spectrometer inlet was used to create programmed humidity and temperatures. The relative abundance and fragmentation of molecular adduct ions for several compounds consistently varied with changing ambient humidity and also were controlled with the humidity enclosure. For several compounds, increasing humidity decreased protonated molecule and other molecular adduct ion fragmentation in both FAPA and DART spectra. For others, humidity increased fragment ion ratios. The effects of humidity on molecular adduct ion fragmentation were caused by changes in the relative abundances of different reagent protonated water clusters and, thus, a change in the average difference in proton affinity between an analyte and the population of water clusters. Control of humidity in ambient post-plasma ion sources is needed to create spectral stability and reproducibility.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-29},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Newsome, G. Asher and Ackerman, Luke K. and Johnson, Kevin J.},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {135--143},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Post-plasma ambient desorption/ionization (ADI) sources are fundamentally dependent on surrounding water vapor to produce protonated analyte ions. There are two reports of humidity effects on ADI spectra. However, it is unclear whether humidity will affect all ADI sources and analytes, and by what mechanism humidity affects spectra. Flowing atmospheric pressure afterglow (FAPA) ionization and direct analysis in real time (DART) mass spectra of various surface-deposited and gas-phase analytes were acquired at ambient temperature and pressure across a range of observed humidity values. A controlled humidity enclosure around the ion source and mass spectrometer inlet was used to create programmed humidity and temperatures. The relative abundance and fragmentation of molecular adduct ions for several compounds consistently varied with changing ambient humidity and also were controlled with the humidity enclosure. For several compounds, increasing humidity decreased protonated molecule and other molecular adduct ion fragmentation in both FAPA and DART spectra. For others, humidity increased fragment ion ratios. The effects of humidity on molecular adduct ion fragmentation were caused by changes in the relative abundances of different reagent protonated water clusters and, thus, a change in the average difference in proton affinity between an analyte and the population of water clusters. Control of humidity in ambient post-plasma ion sources is needed to create spectral stability and reproducibility.\n
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\n \n\n \n \n \n \n \n \n Improved desorption/ionization and ion transmission in surface scanning by direct analysis in real time mass spectrometry: Improved HPTLC/DART-MS surface analysis.\n \n \n \n \n\n\n \n Häbe, T. T.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 30(2): 321–332. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ImprovedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{habe_improved_2016,\n\ttitle = {Improved desorption/ionization and ion transmission in surface scanning by direct analysis in real time mass spectrometry: {Improved} {HPTLC}/{DART}-{MS} surface analysis},\n\tvolume = {30},\n\tissn = {09514198},\n\tshorttitle = {Improved desorption/ionization and ion transmission in surface scanning by direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7434},\n\tdoi = {10.1002/rcm.7434},\n\tabstract = {Rationale Modifications to the Direct Analysis in Real Time mass spectrometry (DART-MS) interface, its source cap and transfer tube were necessary to obtain highest efficiency in desorption and ionization from the sampling surface and in ion transmission into the MS system. These issues are crucial for the trace analysis of any surface and the hyphenation of high-performance thin-layer chromatography (HPTLC) with DART-MS. Methods The ion source mounting was modified to enable short source caps to be utilized in combination with a short transfer tube. The grid voltage contact section was readjusted to increase the intensity of the metastable gas stream towards the substrate. Eighteen different cap and two transfer tube geometries (including gas-stream focusing), along with the influence of their distance from the mass spectrometer glass capillary, were investigated for best signal intensity. Results Using shortened source caps with staged inner bore, a transfer tube with gas-stream focusing and an optimized mounting geometry for DART-MS scanning along five identical deposited bands (600 ng each) of butyl 4-hydroxybenzoate, an average signal precision of 3.6\\% was obtained and the signal intensity was increased by a factor of 34. The width of the gas impact area did not exceed 1.5 mm and the smallest FWHM was determined to be 0.9 mm. Conclusions The desorption strength, ionization efficacy and ion transmission were improved significantly giving increased detectability using this further modified DART-MS interface with reduced cap length and optimum transfer tube geometry. The resolution was comparable with state-of-the-art densitometry. With this setup, reliable HPTLC surface scanning is possible, even for substance amounts in the low-nanogram range.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-01-29},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Häbe, Tim T. and Morlock, Gertrud E.},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {321--332},\n}\n\n\n\n
\n
\n\n\n
\n Rationale Modifications to the Direct Analysis in Real Time mass spectrometry (DART-MS) interface, its source cap and transfer tube were necessary to obtain highest efficiency in desorption and ionization from the sampling surface and in ion transmission into the MS system. These issues are crucial for the trace analysis of any surface and the hyphenation of high-performance thin-layer chromatography (HPTLC) with DART-MS. Methods The ion source mounting was modified to enable short source caps to be utilized in combination with a short transfer tube. The grid voltage contact section was readjusted to increase the intensity of the metastable gas stream towards the substrate. Eighteen different cap and two transfer tube geometries (including gas-stream focusing), along with the influence of their distance from the mass spectrometer glass capillary, were investigated for best signal intensity. Results Using shortened source caps with staged inner bore, a transfer tube with gas-stream focusing and an optimized mounting geometry for DART-MS scanning along five identical deposited bands (600 ng each) of butyl 4-hydroxybenzoate, an average signal precision of 3.6% was obtained and the signal intensity was increased by a factor of 34. The width of the gas impact area did not exceed 1.5 mm and the smallest FWHM was determined to be 0.9 mm. Conclusions The desorption strength, ionization efficacy and ion transmission were improved significantly giving increased detectability using this further modified DART-MS interface with reduced cap length and optimum transfer tube geometry. The resolution was comparable with state-of-the-art densitometry. With this setup, reliable HPTLC surface scanning is possible, even for substance amounts in the low-nanogram range.\n
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\n \n\n \n \n \n \n \n \n Detection of Low Molecular Weight Adulterants in Beverages by Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Sisco, E.; and Dake, J. H\n\n\n \n\n\n\n Anal. Methods. 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sisco_detection_2016,\n\ttitle = {Detection of {Low} {Molecular} {Weight} {Adulterants} in {Beverages} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://pubs.rsc.org/en/Content/ArticleLanding/2016/AY/C6AY00292G},\n\tdoi = {10.1039/C6AY00292G},\n\tabstract = {Direct Analysis in Real Time Mass Spectrometry (DART-MS) has been used to detect the presence of non-narcotic adulterants in beverages. The non-narcotic adulterants that were examined in this work incorporated a number low molecular weight alcohols, acetone, ammonium hydroxide, and sodium hypochlorite. Analysis of the adulterants was completed by pipetting 1 µL deposits onto glass microcapillaries along with an appropriate dopant species followed by introduction into the DART gas stream. It was found that detection of these compounds in the complex matrices of common beverages (soda, energy drinks, etc.) was simplified through the use of a dopant species to allow for adduct formation with the desired compound(s) of interest. Other parameters that were investigated included DART gas stream temperature, in source collision induced dissociation, ion polarity, and DART needle voltage. Sensitivities of the technique were found to range from 0.001 \\% volume fraction to 0.1 \\% volume fraction, comparable to traditional analyses completed using headspace gas chromatography mass spectrometry (HS-GC/MS). Once a method was established using aqueous solutions, , fifteen beverages were spiked with each of the nine adulterants, to simulate real world detection, and in nearly all cases the adulterant could be detected either in pure form, or complexed with the added dopant species. This technique provides a rapid way to directly analyze beverages believed to be contaminated with non-narcotic adulterants at sensitivities similar to or exceeding those of traditional confirmatory analyses.},\n\tlanguage = {en},\n\turldate = {2016-03-22},\n\tjournal = {Anal. Methods},\n\tauthor = {Sisco, Edward and Dake, Jeffrey H},\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time Mass Spectrometry (DART-MS) has been used to detect the presence of non-narcotic adulterants in beverages. The non-narcotic adulterants that were examined in this work incorporated a number low molecular weight alcohols, acetone, ammonium hydroxide, and sodium hypochlorite. Analysis of the adulterants was completed by pipetting 1 µL deposits onto glass microcapillaries along with an appropriate dopant species followed by introduction into the DART gas stream. It was found that detection of these compounds in the complex matrices of common beverages (soda, energy drinks, etc.) was simplified through the use of a dopant species to allow for adduct formation with the desired compound(s) of interest. Other parameters that were investigated included DART gas stream temperature, in source collision induced dissociation, ion polarity, and DART needle voltage. Sensitivities of the technique were found to range from 0.001 % volume fraction to 0.1 % volume fraction, comparable to traditional analyses completed using headspace gas chromatography mass spectrometry (HS-GC/MS). Once a method was established using aqueous solutions, , fifteen beverages were spiked with each of the nine adulterants, to simulate real world detection, and in nearly all cases the adulterant could be detected either in pure form, or complexed with the added dopant species. This technique provides a rapid way to directly analyze beverages believed to be contaminated with non-narcotic adulterants at sensitivities similar to or exceeding those of traditional confirmatory analyses.\n
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\n \n\n \n \n \n \n \n \n Spray Injection Direct Analysis in Real Time (DART) Ionization for Petroleum Analysis.\n \n \n \n \n\n\n \n Ren, L.; Han, Y.; Zhang, Y.; Zhang, Y.; Meng, X.; and Shi, Q.\n\n\n \n\n\n\n Energy & Fuels, 30(6): 4486–4493. June 2016.\n \n\n\n\n
\n\n\n\n \n \n \"SprayPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{ren_spray_2016,\n\ttitle = {Spray {Injection} {Direct} {Analysis} in {Real} {Time} ({DART}) {Ionization} for {Petroleum} {Analysis}},\n\tvolume = {30},\n\tissn = {0887-0624, 1520-5029},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.energyfuels.6b00018},\n\tdoi = {10.1021/acs.energyfuels.6b00018},\n\tabstract = {Negative- and positive-ion direct analysis in real time (DART) ionization coupled to Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) was applied to characterize crude oil and its fractions. Crude oil samples dissolved in toluene were directly infused into a spray needle, which produced a continuous and long-time stable ion current for FT-ICR MS analysis to obtain mass spectra with a broad dynamic range and high signal-to-noise ratio. A comparison between negative-ion electrospray ionization [ESI(−)] and negative-ion DART for crude oil analysis was presented. The DART(−) ionized almost all of the compound classes found in ESI(−), while it exhibited high selectivity on naphthenic acids, which enabled the characterization of naphthenic acids in petroleum with a low total acid number (TAN). The method is suitable for the analysis of naphthenic acids in petroleum distillation cuts, even with a very high boiling point. Sulfides in petroleum were likely oxidized to sulfoxides and exhibited high selectivity in positive-ion DART, indicating that it can potentially be used for the molecular characterization of sulfides in petroleum.},\n\tlanguage = {en},\n\tnumber = {6},\n\turldate = {2016-07-15},\n\tjournal = {Energy \\& Fuels},\n\tauthor = {Ren, Limin and Han, Yehua and Zhang, Yahe and Zhang, Yanfen and Meng, Xianghai and Shi, Quan},\n\tmonth = jun,\n\tyear = {2016},\n\tpages = {4486--4493},\n}\n\n\n\n
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\n Negative- and positive-ion direct analysis in real time (DART) ionization coupled to Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) was applied to characterize crude oil and its fractions. Crude oil samples dissolved in toluene were directly infused into a spray needle, which produced a continuous and long-time stable ion current for FT-ICR MS analysis to obtain mass spectra with a broad dynamic range and high signal-to-noise ratio. A comparison between negative-ion electrospray ionization [ESI(−)] and negative-ion DART for crude oil analysis was presented. The DART(−) ionized almost all of the compound classes found in ESI(−), while it exhibited high selectivity on naphthenic acids, which enabled the characterization of naphthenic acids in petroleum with a low total acid number (TAN). The method is suitable for the analysis of naphthenic acids in petroleum distillation cuts, even with a very high boiling point. Sulfides in petroleum were likely oxidized to sulfoxides and exhibited high selectivity in positive-ion DART, indicating that it can potentially be used for the molecular characterization of sulfides in petroleum.\n
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\n \n\n \n \n \n \n \n \n Detection of polydimethylsiloxanes transferred from silicone-coated parchment paper to baked goods using direct analysis in real time mass spectrometry: DART detects silicone on food baked on parchment.\n \n \n \n \n\n\n \n Jakob, A.; Crawford, E. A.; and Gross, J. H.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 51(4): 298–304. April 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jakob_detection_2016,\n\ttitle = {Detection of polydimethylsiloxanes transferred from silicone-coated parchment paper to baked goods using direct analysis in real time mass spectrometry: {DART} detects silicone on food baked on parchment},\n\tvolume = {51},\n\tissn = {10765174},\n\tshorttitle = {Detection of polydimethylsiloxanes transferred from silicone-coated parchment paper to baked goods using direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/jms.3757},\n\tdoi = {10.1002/jms.3757},\n\tabstract = {The non-stick properties of parchment papers are achieved by polydimethylsiloxane (PDMS) coatings. During baking, PDMS can\nthus be extracted from the silicone-coated parchment into the baked goods. Positive-ion direct analysis in real time (DART) mass\nspectrometry (MS) is highly efficient for the analysis of PDMS. A DART-SVP sourcewas coupled to a quadrupole-time-of-flightmass\nspectrometer to detect PDMS on the contact surface of baked goods after use of silicone-coated parchment papers. DART spectra\nfrom the bottom surface of baked cookies and pizzas exhibited signals because of PDMS ions of the general formula\n[(C2H6SiO)n+NH4]+ in the m/z 800–1900 range.},\n\tlanguage = {en},\n\tnumber = {4},\n\turldate = {2016-04-26},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Jakob, Andreas and Crawford, Elizabeth A. and Gross, Jürgen H.},\n\tmonth = apr,\n\tyear = {2016},\n\tpages = {298--304},\n}\n\n\n\n
\n
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\n The non-stick properties of parchment papers are achieved by polydimethylsiloxane (PDMS) coatings. During baking, PDMS can thus be extracted from the silicone-coated parchment into the baked goods. Positive-ion direct analysis in real time (DART) mass spectrometry (MS) is highly efficient for the analysis of PDMS. A DART-SVP sourcewas coupled to a quadrupole-time-of-flightmass spectrometer to detect PDMS on the contact surface of baked goods after use of silicone-coated parchment papers. DART spectra from the bottom surface of baked cookies and pizzas exhibited signals because of PDMS ions of the general formula [(C2H6SiO)n+NH4]+ in the m/z 800–1900 range.\n
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\n \n\n \n \n \n \n \n \n Characterization of the oxidation products of Shengli lignite using mass spectrometers with “hard”, “soft” and ambient ion sources.\n \n \n \n \n\n\n \n Wang, M.; Fan, X.; Wei, X.; Cao, J.; Zhao, Y.; Wang, S.; Wang, C.; and Wang, R.\n\n\n \n\n\n\n Fuel, 183: 115–122. November 2016.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_characterization_2016,\n\ttitle = {Characterization of the oxidation products of {Shengli} lignite using mass spectrometers with “hard”, “soft” and ambient ion sources},\n\tvolume = {183},\n\tissn = {00162361},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0016236116304641},\n\tdoi = {10.1016/j.fuel.2016.06.012},\n\tabstract = {Shengli lignite (SL) was oxidized and depolymerized in aqueous sodium hypochlorite under mild conditions followed by sequential extraction with ethoxyethane and ethyl acetate. The extracts were analyzed by Fourier transform infrared spectroscopy, gas chromatograph/mass spectrometry (GC/MS), time-of-flight mass spectrometry (TOF-MS) equipped with electrospray ionization (ESI), and direct analysis in real time (DART) to understand the structural features of SL. In total, 130, 272, and 818 compounds were identified by GC/MS, ESI-MS, and DART-MS, respectively, and the corresponding molecular mass distributions are between 70 and 322, 114 and 664, 113 and 753 u, respectively. GC/MS detected molecules with low molecular mass and polarity, and the major species include aliphatic acids, benzene polycarboxylic acids, chloro-substituted species and nitrogen-containing compounds. A large number of heteroatom-containing compounds (oxygen, nitrogen and sulfur) with relatively high molecular mass and unsaturation degree were determined using ESI-MS. As an ambient ionization technique, DART speeded up the analysis time with little or no sample pretreatment. Compared to the other two MS techniques, DART-MS broadened the measurement range, and OxN5, and OxN6 classes were only detected by DART-MS.},\n\tlanguage = {en},\n\turldate = {2016-08-18},\n\tjournal = {Fuel},\n\tauthor = {Wang, Miao and Fan, Xing and Wei, Xian-Yong and Cao, Jing-Pei and Zhao, Yun-Peng and Wang, Shou-Ze and Wang, Chu-Fan and Wang, Rui-Yu},\n\tmonth = nov,\n\tyear = {2016},\n\tpages = {115--122},\n}\n\n\n\n
\n
\n\n\n
\n Shengli lignite (SL) was oxidized and depolymerized in aqueous sodium hypochlorite under mild conditions followed by sequential extraction with ethoxyethane and ethyl acetate. The extracts were analyzed by Fourier transform infrared spectroscopy, gas chromatograph/mass spectrometry (GC/MS), time-of-flight mass spectrometry (TOF-MS) equipped with electrospray ionization (ESI), and direct analysis in real time (DART) to understand the structural features of SL. In total, 130, 272, and 818 compounds were identified by GC/MS, ESI-MS, and DART-MS, respectively, and the corresponding molecular mass distributions are between 70 and 322, 114 and 664, 113 and 753 u, respectively. GC/MS detected molecules with low molecular mass and polarity, and the major species include aliphatic acids, benzene polycarboxylic acids, chloro-substituted species and nitrogen-containing compounds. A large number of heteroatom-containing compounds (oxygen, nitrogen and sulfur) with relatively high molecular mass and unsaturation degree were determined using ESI-MS. As an ambient ionization technique, DART speeded up the analysis time with little or no sample pretreatment. Compared to the other two MS techniques, DART-MS broadened the measurement range, and OxN5, and OxN6 classes were only detected by DART-MS.\n
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\n \n\n \n \n \n \n \n \n Use of Ambient Ionization High-Resolution Mass Spectrometry for the Kinetic Analysis of Organic Surface Reactions.\n \n \n \n \n\n\n \n Sen, R.; Escorihuela, J.; Smulders, M. M. J.; and Zuilhof, H.\n\n\n \n\n\n\n Langmuir, 32(14): 3412–3419. April 2016.\n \n\n\n\n
\n\n\n\n \n \n \"UsePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sen_use_2016,\n\ttitle = {Use of {Ambient} {Ionization} {High}-{Resolution} {Mass} {Spectrometry} for the {Kinetic} {Analysis} of {Organic} {Surface} {Reactions}},\n\tvolume = {32},\n\tissn = {0743-7463, 1520-5827},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.langmuir.6b00427},\n\tdoi = {10.1021/acs.langmuir.6b00427},\n\tabstract = {In contrast to homogeneous systems, studying the kinetics of organic reactions on solid surfaces remains a difficult task due to the limited availability of appropriate analysis techniques that are general, high-throughput, and capable of offering quantitative, structural surface information. Here, we demonstrate how direct analysis in real time mass spectrometry (DART-MS) complies with above considerations and can be used for determining interfacial kinetic parameters. The presented approach is based on the use of a MS tag that - in principle - allows application to other reactions. To show the potential of DART-MS, we selected the widely applied strain-promoted alkyne-azide cycloaddition (SPAAC) as a model reaction to elucidate the effects of the nanoenvironment on the interfacial reaction rate.},\n\tlanguage = {en},\n\tnumber = {14},\n\turldate = {2016-06-01},\n\tjournal = {Langmuir},\n\tauthor = {Sen, Rickdeb and Escorihuela, Jorge and Smulders, Maarten M. J. and Zuilhof, Han},\n\tmonth = apr,\n\tyear = {2016},\n\tpages = {3412--3419},\n}\n\n\n\n
\n
\n\n\n
\n In contrast to homogeneous systems, studying the kinetics of organic reactions on solid surfaces remains a difficult task due to the limited availability of appropriate analysis techniques that are general, high-throughput, and capable of offering quantitative, structural surface information. Here, we demonstrate how direct analysis in real time mass spectrometry (DART-MS) complies with above considerations and can be used for determining interfacial kinetic parameters. The presented approach is based on the use of a MS tag that - in principle - allows application to other reactions. To show the potential of DART-MS, we selected the widely applied strain-promoted alkyne-azide cycloaddition (SPAAC) as a model reaction to elucidate the effects of the nanoenvironment on the interfacial reaction rate.\n
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\n \n\n \n \n \n \n \n \n Alternative mass reference standards for direct analysis in real time mass spectrometry: Alternative mass reference standards for DART-MS.\n \n \n \n \n\n\n \n Cody, R. B.; and Dane, A. J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 30(10): 1206–1212. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"AlternativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cody_alternative_2016,\n\ttitle = {Alternative mass reference standards for direct analysis in real time mass spectrometry: {Alternative} mass reference standards for {DART}-{MS}},\n\tvolume = {30},\n\tissn = {09514198},\n\tshorttitle = {Alternative mass reference standards for direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7554},\n\tdoi = {10.1002/rcm.7554},\n\tabstract = {Rationale\nMass spectra were acquired with the Direct Analysis in Real Time (DART®) ion source for an amine-terminated polyether used as positive-ion mass reference standards and for several fluorinated materials commonly used as negative-ion reference standards for mass spectrometry.\nMethods\nA commercial time-of-flight mass spectrometer equipped with a DART ion source was used for all measurements. Mass reference standards deposited onto the sealed end of a glass melting point tube were suspended in the DART gas stream for analysis.\nResults\nA polyetheramine (Jeffamine® M-600) produced intense peaks corresponding to protonated molecules. Perfluorotributylamine (PFTBA), and perfluorotripentylamine, gave useful reference spectra for different m/z ranges. DART mass spectra of Ultramark 1621® resembled those previously reported for Fast Atom Bombardment (FAB) and Electrospray Ionization (ESI). Fomblin®Y, a fluorinated ether, was the most useful negative-ion reference standard of the materials tested. The material is commercially available, inexpensive, and provides reference peaks covering the m/z range 85 to {\\textgreater}3000.\nConclusions\nJeffamine-M600 was found to be a convenient alternative to polyethers such as polyethylene glycol (PEG) for DART positive-ion mass calibration. Fomblin Y was suitable for use as a negative-ion reference standard.},\n\tlanguage = {en},\n\tnumber = {10},\n\turldate = {2016-07-15},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Cody, Robert B. and Dane, A. John},\n\tmonth = may,\n\tyear = {2016},\n\tpages = {1206--1212},\n}\n\n\n\n
\n
\n\n\n
\n Rationale Mass spectra were acquired with the Direct Analysis in Real Time (DART®) ion source for an amine-terminated polyether used as positive-ion mass reference standards and for several fluorinated materials commonly used as negative-ion reference standards for mass spectrometry. Methods A commercial time-of-flight mass spectrometer equipped with a DART ion source was used for all measurements. Mass reference standards deposited onto the sealed end of a glass melting point tube were suspended in the DART gas stream for analysis. Results A polyetheramine (Jeffamine® M-600) produced intense peaks corresponding to protonated molecules. Perfluorotributylamine (PFTBA), and perfluorotripentylamine, gave useful reference spectra for different m/z ranges. DART mass spectra of Ultramark 1621® resembled those previously reported for Fast Atom Bombardment (FAB) and Electrospray Ionization (ESI). Fomblin®Y, a fluorinated ether, was the most useful negative-ion reference standard of the materials tested. The material is commercially available, inexpensive, and provides reference peaks covering the m/z range 85 to \\textgreater3000. Conclusions Jeffamine-M600 was found to be a convenient alternative to polyethers such as polyethylene glycol (PEG) for DART positive-ion mass calibration. Fomblin Y was suitable for use as a negative-ion reference standard.\n
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\n \n\n \n \n \n \n \n \n Monolith dip-it: a bifunctional device for improving the sensitivity of direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Li, X.; Li, Z.; Wang, X.; Nie, H.; Zhang, Y.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n The Analyst. 2016.\n \n\n\n\n
\n\n\n\n \n \n \"MonolithPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_monolith_2016,\n\ttitle = {Monolith dip-it: a bifunctional device for improving the sensitivity of direct analysis in real time mass spectrometry},\n\tissn = {0003-2654, 1364-5528},\n\tshorttitle = {Monolith dip-it},\n\turl = {http://xlink.rsc.org/?DOI=C6AN00839A},\n\tdoi = {10.1039/C6AN00839A},\n\tabstract = {A bifunctional monolith dip-it was fabricated and applied for improving the sensitivity of direct analysis in real time mass spectrometry (DART-MS). This monolith dip-it device was prepared by in situ polymerization of poly(BMA–EDMA–MAA) monolith in the glass capillary of dip-it. As a solid-phase microextraction (SPME) device, it showed strong affinity to four Sudan dyes through hydrophilic interaction and hydrogen bond interaction. As a sample loading device, it could be directly analyzed by DART-MS without organic solvent elution or laser desorption. As a result, this device is environmentally friendly, and used for fast analysis. Under optimized conditions, the limits of detection for four analytes were 5–10 ng mL−1 and the linear ranges covered more than two orders of magnitude. Finally, the developed method has been applied for the analysis of chili powder and the recoveries for spiked analytes were in the range of 83.2\\% to 115.1\\% demonstrating that this device is an efficient sampler for DART-MS analysis and the proposed method could find more applications in different areas like food analysis.},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {The Analyst},\n\tauthor = {Li, Xianjiang and Li, Ze and Wang, Xin and Nie, Honggang and Zhang, Yiding and Bai, Yu and Liu, Huwei},\n\tyear = {2016},\n}\n\n\n\n
\n
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\n A bifunctional monolith dip-it was fabricated and applied for improving the sensitivity of direct analysis in real time mass spectrometry (DART-MS). This monolith dip-it device was prepared by in situ polymerization of poly(BMA–EDMA–MAA) monolith in the glass capillary of dip-it. As a solid-phase microextraction (SPME) device, it showed strong affinity to four Sudan dyes through hydrophilic interaction and hydrogen bond interaction. As a sample loading device, it could be directly analyzed by DART-MS without organic solvent elution or laser desorption. As a result, this device is environmentally friendly, and used for fast analysis. Under optimized conditions, the limits of detection for four analytes were 5–10 ng mL−1 and the linear ranges covered more than two orders of magnitude. Finally, the developed method has been applied for the analysis of chili powder and the recoveries for spiked analytes were in the range of 83.2% to 115.1% demonstrating that this device is an efficient sampler for DART-MS analysis and the proposed method could find more applications in different areas like food analysis.\n
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\n \n\n \n \n \n \n \n \n Chemometric brand differentiation of commercial spices using direct analysis in real time mass spectrometry: Chemometric differentiation of commercial spices using DART-MS.\n \n \n \n \n\n\n \n Pavlovich, M. J.; Dunn, E. E.; and Hall, A. B.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 30(9): 1123–1130. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ChemometricPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{pavlovich_chemometric_2016,\n\ttitle = {Chemometric brand differentiation of commercial spices using direct analysis in real time mass spectrometry: {Chemometric} differentiation of commercial spices using {DART}-{MS}},\n\tvolume = {30},\n\tissn = {09514198},\n\tshorttitle = {Chemometric brand differentiation of commercial spices using direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7536},\n\tdoi = {10.1002/rcm.7536},\n\tabstract = {Rationale Commercial spices represent an emerging class of fuels for improvised explosives. Being able to classify such spices not only by type but also by brand would represent an important step in developing methods to analytically investigate these explosive compositions. Therefore, a combined ambient mass spectrometric/chemometric approach was developed to quickly and accurately classify commercial spices by brand. Methods Direct analysis in real time mass spectrometry (DART-MS) was used to generate mass spectra for samples of black pepper, cayenne pepper, and turmeric, along with four different brands of cinnamon, all dissolved in methanol. Unsupervised learning techniques showed that the cinnamon samples clustered according to brand. Then, we used supervised machine learning algorithms to build chemometric models with a known training set and classified the brands of an unknown testing set of cinnamon samples. Results Ten independent runs of five-fold cross-validation showed that the training set error for the best-performing models (i.e., the linear discriminant and neural network models) was lower than 2\\%. The false-positive percentages for these models were 3\\% or lower, and the false-negative percentages were lower than 10\\%. In particular, the linear discriminant model perfectly classified the testing set with 0\\% error. Repeated iterations of training and testing gave similar results, demonstrating the reproducibility of these models. Conclusions Chemometric models were able to classify the DART mass spectra of commercial cinnamon samples according to brand, with high specificity and low classification error. This method could easily be generalized to other classes of spices, and it could be applied to authenticating questioned commercial samples of spices or to examining evidence from improvised explosives.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-05-24},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Pavlovich, Matthew J. and Dunn, Emily E. and Hall, Adam B.},\n\tmonth = may,\n\tyear = {2016},\n\tpages = {1123--1130},\n}\n\n\n\n
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\n Rationale Commercial spices represent an emerging class of fuels for improvised explosives. Being able to classify such spices not only by type but also by brand would represent an important step in developing methods to analytically investigate these explosive compositions. Therefore, a combined ambient mass spectrometric/chemometric approach was developed to quickly and accurately classify commercial spices by brand. Methods Direct analysis in real time mass spectrometry (DART-MS) was used to generate mass spectra for samples of black pepper, cayenne pepper, and turmeric, along with four different brands of cinnamon, all dissolved in methanol. Unsupervised learning techniques showed that the cinnamon samples clustered according to brand. Then, we used supervised machine learning algorithms to build chemometric models with a known training set and classified the brands of an unknown testing set of cinnamon samples. Results Ten independent runs of five-fold cross-validation showed that the training set error for the best-performing models (i.e., the linear discriminant and neural network models) was lower than 2%. The false-positive percentages for these models were 3% or lower, and the false-negative percentages were lower than 10%. In particular, the linear discriminant model perfectly classified the testing set with 0% error. Repeated iterations of training and testing gave similar results, demonstrating the reproducibility of these models. Conclusions Chemometric models were able to classify the DART mass spectra of commercial cinnamon samples according to brand, with high specificity and low classification error. This method could easily be generalized to other classes of spices, and it could be applied to authenticating questioned commercial samples of spices or to examining evidence from improvised explosives.\n
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\n \n\n \n \n \n \n \n \n Dopant-assisted direct analysis in real time mass spectrometry with argon gas: Dopant-assisted DART-MS with argon gas.\n \n \n \n \n\n\n \n Cody, R. B.; and Dane, A. J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 30(10): 1181–1189. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"Dopant-assistedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{cody_dopant-assisted_2016,\n\ttitle = {Dopant-assisted direct analysis in real time mass spectrometry with argon gas: {Dopant}-assisted {DART}-{MS} with argon gas},\n\tvolume = {30},\n\tissn = {09514198},\n\tshorttitle = {Dopant-assisted direct analysis in real time mass spectrometry with argon gas},\n\turl = {http://doi.wiley.com/10.1002/rcm.7552},\n\tdoi = {10.1002/rcm.7552},\n\tabstract = {Rationale\nDopants used with Atmospheric Pressure Photoionization (APPI) were examined with the Direct Analysis in Real Time (DART®) ion source operated with argon gas. Charge-exchange and proton transfer reactions were observed by adding toluene, anisole, chlorobenzene and acetone to the DART gas stream, complementing the information obtained by helium DART.\nMethods\nMass spectra were acquired with a time-of-flight mass spectrometer equipped with a DART ion source operated with argon gas. A syringe pump was used to introduce dopants directly into the DART gas stream through deactivated fused-silica capillary tubing. Samples including polycyclic aromatic hydrocarbons (PAHs), diesel fuel, trinitrotoluene and cannabinoids were deposited onto the sealed end of melting tube, allowed to dry, and the tube was then suspended in the dopant-enhanced DART gas stream.\nResults\nPAHs could be detected as molecular ions at concentrations in the low parts-per-billion range by using a solution of 0.5\\% anisole in toluene as a dopant. Argon DART analysis of a diesel fuel sample with the same dopant mixture showed a simpler mass spectrum than obtained by using helium DART. The argon DART mass spectrum was dominated by molecular ions for aromatic compounds, whereas the helium DART mass spectrum showed both molecular ions and protonated molecules. In contrast O2– attachment DART showed saturated hydrocarbons and oxygen-containing species. Mass spectra for trinitrotoluene with argon DART in negative-ion mode showed a prominent [M – H]– peak, whereas conventional helium DART showed both M– and [M – H]–. Lastly, in analogy to a report in the literature using APPI, positive ions produced by argon DART ionization for delta-9-tetrahydrocannabinol (THC) and cannabidiol showed distinctive product-ion mass spectra.\nConclusions\nDopant-assisted argon DART operates by a mechanism that is analogous to those proposed for dopant-assisted atmospheric-pressure photoionization.},\n\tlanguage = {en},\n\tnumber = {10},\n\turldate = {2016-07-14},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Cody, Robert B. and Dane, A. John},\n\tmonth = may,\n\tyear = {2016},\n\tpages = {1181--1189},\n}\n\n\n\n
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\n Rationale Dopants used with Atmospheric Pressure Photoionization (APPI) were examined with the Direct Analysis in Real Time (DART®) ion source operated with argon gas. Charge-exchange and proton transfer reactions were observed by adding toluene, anisole, chlorobenzene and acetone to the DART gas stream, complementing the information obtained by helium DART. Methods Mass spectra were acquired with a time-of-flight mass spectrometer equipped with a DART ion source operated with argon gas. A syringe pump was used to introduce dopants directly into the DART gas stream through deactivated fused-silica capillary tubing. Samples including polycyclic aromatic hydrocarbons (PAHs), diesel fuel, trinitrotoluene and cannabinoids were deposited onto the sealed end of melting tube, allowed to dry, and the tube was then suspended in the dopant-enhanced DART gas stream. Results PAHs could be detected as molecular ions at concentrations in the low parts-per-billion range by using a solution of 0.5% anisole in toluene as a dopant. Argon DART analysis of a diesel fuel sample with the same dopant mixture showed a simpler mass spectrum than obtained by using helium DART. The argon DART mass spectrum was dominated by molecular ions for aromatic compounds, whereas the helium DART mass spectrum showed both molecular ions and protonated molecules. In contrast O2– attachment DART showed saturated hydrocarbons and oxygen-containing species. Mass spectra for trinitrotoluene with argon DART in negative-ion mode showed a prominent [M – H]– peak, whereas conventional helium DART showed both M– and [M – H]–. Lastly, in analogy to a report in the literature using APPI, positive ions produced by argon DART ionization for delta-9-tetrahydrocannabinol (THC) and cannabidiol showed distinctive product-ion mass spectra. Conclusions Dopant-assisted argon DART operates by a mechanism that is analogous to those proposed for dopant-assisted atmospheric-pressure photoionization.\n
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\n \n\n \n \n \n \n \n \n DART – LTQ ORBITRAP as an expedient tool for the identification of synthetic cannabinoids.\n \n \n \n \n\n\n \n Habala, L.; Valentová, J.; Pechová, I.; Fuknová, M.; and Devínsky, F.\n\n\n \n\n\n\n Legal Medicine, 20: 27–31. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{habala_dart_2016,\n\ttitle = {{DART} – {LTQ} {ORBITRAP} as an expedient tool for the identification of synthetic cannabinoids},\n\tvolume = {20},\n\tissn = {13446223},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1344622316300219},\n\tdoi = {10.1016/j.legalmed.2016.03.006},\n\tabstract = {Synthetic cannabinoids as designer drugs constitute a major problem due to their rapid increase in number and the difficulties connected with their identification in complex mixtures. DART (Direct Analysis in Real Time) has emerged as an advantageous tool for the direct and rapid analysis of complex samples by mass spectrometry. Here we report on the identification of six synthetic cannabinoids originating from seized material in various matrices, employing the combination of ambient pressure ion source DART and hybrid ion trap - LTQ ORBITRAP mass spectrometer. This report also describes the sampling techniques for the provided herbal material containing the cannabinoids, either directly as plant parts or as an extract in methanol and their influence on the outcome of the analysis. The high resolution mass spectra supplied by the LTQ ORBITRAP instrument allowed for an unambiguous assignment of target compounds. The utilized instrumental coupling proved to be a convenient way for the identification of synthetic cannabinoids in real-world samples.},\n\tlanguage = {en},\n\turldate = {2016-04-26},\n\tjournal = {Legal Medicine},\n\tauthor = {Habala, Ladislav and Valentová, Jindra and Pechová, Iveta and Fuknová, Mária and Devínsky, Ferdinand},\n\tmonth = may,\n\tyear = {2016},\n\tpages = {27--31},\n}\n\n\n\n
\n
\n\n\n
\n Synthetic cannabinoids as designer drugs constitute a major problem due to their rapid increase in number and the difficulties connected with their identification in complex mixtures. DART (Direct Analysis in Real Time) has emerged as an advantageous tool for the direct and rapid analysis of complex samples by mass spectrometry. Here we report on the identification of six synthetic cannabinoids originating from seized material in various matrices, employing the combination of ambient pressure ion source DART and hybrid ion trap - LTQ ORBITRAP mass spectrometer. This report also describes the sampling techniques for the provided herbal material containing the cannabinoids, either directly as plant parts or as an extract in methanol and their influence on the outcome of the analysis. The high resolution mass spectra supplied by the LTQ ORBITRAP instrument allowed for an unambiguous assignment of target compounds. The utilized instrumental coupling proved to be a convenient way for the identification of synthetic cannabinoids in real-world samples.\n
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\n \n\n \n \n \n \n \n \n Solid Phase Mesh Enhanced Sorption from Headspace (SPMESH) coupled to DART-MS for rapid quantification of trace-level volatiles.\n \n \n \n \n\n\n \n Jastrzembski, J. A.; and Sacks, G. L.\n\n\n \n\n\n\n Analytical Chemistry. August 2016.\n \n\n\n\n
\n\n\n\n \n \n \"SolidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jastrzembski_solid_2016,\n\ttitle = {Solid {Phase} {Mesh} {Enhanced} {Sorption} from {Headspace} ({SPMESH}) coupled to {DART}-{MS} for rapid quantification of trace-level volatiles},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.analchem.6b01787},\n\tdoi = {10.1021/acs.analchem.6b01787},\n\tabstract = {Quantitation of trace-level (µg/L to ng/L) volatile compounds is routinely performed in a broad range of applications, including analyses of odorants, pesticide residues, or toxins in foodstuffs and related matrices. Conventional analyses based on gas chromatography-mass spectrometry (GC-MS) are limited by low throughput, and ambient approaches to sample introduction have typically had poor sensitivity. We prepared polydimethylsiloxane coated stainless steel meshes for extraction and pre-concentration of volatiles (Solid Phase Mesh Enhanced Sorption from Headspace, SPMESH), which could then be analyzed by Direct Analysis in Real Time (DART)-MS. The SPMESH cards were characterized by electron microscopy, and figures of merit for the approach were determined using two rep-resentative volatiles: 2-isobutyl-3-methoxypyrazine (IBMP) and linalool. Using DART-MS/MS and isotopically labelled internal standards, we achieved detection limits of 21 ng/L and 71 µg/L for IBMP and linalool in water. Good accuracy and precision could also be achieved for IBMP spikes in grape macerate, although accuracy for linalool was compro-mised by the presence of interferences. Detection limits could be further improved by an order of magnitude through use of high resolution (HR) MS. Because extraction can be performed inexpensively in parallel and because it requires short data acquisition times ({\\textless}1 min) SPMESH-DART-MS may be appropriate for high throughput trace level volatile analyses.},\n\tlanguage = {en},\n\turldate = {2016-08-08},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Jastrzembski, Jillian A. and Sacks, Gavin L.},\n\tmonth = aug,\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n Quantitation of trace-level (µg/L to ng/L) volatile compounds is routinely performed in a broad range of applications, including analyses of odorants, pesticide residues, or toxins in foodstuffs and related matrices. Conventional analyses based on gas chromatography-mass spectrometry (GC-MS) are limited by low throughput, and ambient approaches to sample introduction have typically had poor sensitivity. We prepared polydimethylsiloxane coated stainless steel meshes for extraction and pre-concentration of volatiles (Solid Phase Mesh Enhanced Sorption from Headspace, SPMESH), which could then be analyzed by Direct Analysis in Real Time (DART)-MS. The SPMESH cards were characterized by electron microscopy, and figures of merit for the approach were determined using two rep-resentative volatiles: 2-isobutyl-3-methoxypyrazine (IBMP) and linalool. Using DART-MS/MS and isotopically labelled internal standards, we achieved detection limits of 21 ng/L and 71 µg/L for IBMP and linalool in water. Good accuracy and precision could also be achieved for IBMP spikes in grape macerate, although accuracy for linalool was compro-mised by the presence of interferences. Detection limits could be further improved by an order of magnitude through use of high resolution (HR) MS. Because extraction can be performed inexpensively in parallel and because it requires short data acquisition times (\\textless1 min) SPMESH-DART-MS may be appropriate for high throughput trace level volatile analyses.\n
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\n \n\n \n \n \n \n \n \n Analysis of a Commercial Marijuana e-Cigarette Formulation.\n \n \n \n \n\n\n \n Peace, M. R.; Stone, J. W.; Poklis, J. L.; Turner, J. B M.; and Poklis, A.\n\n\n \n\n\n\n Journal of Analytical Toxicology, 40(5): 374–378. June 2016.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{peace_analysis_2016,\n\ttitle = {Analysis of a {Commercial} {Marijuana} e-{Cigarette} {Formulation}},\n\tvolume = {40},\n\tissn = {0146-4760, 1945-2403},\n\turl = {http://jat.oxfordjournals.org/lookup/doi/10.1093/jat/bkw021},\n\tdoi = {10.1093/jat/bkw021},\n\tabstract = {Personal battery-powered vaporizers or electronic cigarettes were developed to deliver a nicotine vapor such that smokers could simulate smoking tobacco without the inherent pathology of inhaled tobacco smoke. With four states within the USA having legalized the cultivation, distribution and recreational use of marijuana and an additional 23 states plus the District of Columbia with laws that legalize marijuana in some form, it was inevitable that suppliers of legal marijuana would develop marijuana products for use in these electronic cigarettes. Presented is the analysis of one such marijuana electronic cigarette formulation sold under the brand name Liberty Reach. The cannabinoid concentrations in Liberty Reach as determined by high-performance liquid chromatography—triple quadrapole mass spectrometry (HPLC–MS-MS) were Δ9-tetrahydrocannabinol, 42.6\\% (w/v) and cannabidiol 0.5\\% (w/v). These concentrations were significantly lower than the labeled 69\\% Δ9-tetrahydrocannabinol and 1\\% cannabidiol. Furthermore, 4 cannabinoids, 13 marijuana terpenes, and propylene glycol were identified by a combination of Direct Analysis in Real Time-AccuTOF™ mass spectrometry (DART-MS), HPLC–MS-MS and gas chromatography–MS.},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-07-15},\n\tjournal = {Journal of Analytical Toxicology},\n\tauthor = {Peace, Michelle R. and Stone, Joseph W. and Poklis, Justin L. and Turner, Joseph B M. and Poklis, Alphonse},\n\tmonth = jun,\n\tyear = {2016},\n\tpages = {374--378},\n}\n\n\n\n
\n
\n\n\n
\n Personal battery-powered vaporizers or electronic cigarettes were developed to deliver a nicotine vapor such that smokers could simulate smoking tobacco without the inherent pathology of inhaled tobacco smoke. With four states within the USA having legalized the cultivation, distribution and recreational use of marijuana and an additional 23 states plus the District of Columbia with laws that legalize marijuana in some form, it was inevitable that suppliers of legal marijuana would develop marijuana products for use in these electronic cigarettes. Presented is the analysis of one such marijuana electronic cigarette formulation sold under the brand name Liberty Reach. The cannabinoid concentrations in Liberty Reach as determined by high-performance liquid chromatography—triple quadrapole mass spectrometry (HPLC–MS-MS) were Δ9-tetrahydrocannabinol, 42.6% (w/v) and cannabidiol 0.5% (w/v). These concentrations were significantly lower than the labeled 69% Δ9-tetrahydrocannabinol and 1% cannabidiol. Furthermore, 4 cannabinoids, 13 marijuana terpenes, and propylene glycol were identified by a combination of Direct Analysis in Real Time-AccuTOF™ mass spectrometry (DART-MS), HPLC–MS-MS and gas chromatography–MS.\n
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\n \n\n \n \n \n \n \n \n Analysis of carbohydrates in Fusarium verticillioides using size-exclusion HPLC – DRI and direct analysis in real time ionization – time-of-flight – mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Roberts, E. S.; Boudreau, B. A.; Brown, D. W.; McQuade, K. L.; and Remsen, E. E.\n\n\n \n\n\n\n Anal. Methods, 8(3): 673–681. 2016.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{roberts_analysis_2016,\n\ttitle = {Analysis of carbohydrates in {Fusarium} verticillioides using size-exclusion {HPLC} – {DRI} and direct analysis in real time ionization – time-of-flight – mass spectrometry ({DART}-{MS})},\n\tvolume = {8},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C5AY01666E},\n\tdoi = {10.1039/C5AY01666E},\n\tabstract = {Direct analysis in real time ionization-time-of-flight-mass spectrometry (DART-MS) and size-exclusion HPLC-DRI are used, respectively, to qualitatively and quantitatively determine the carbohydrates extracted from the corn rot fungus Fusarium verticillioides. In situ permethylation in the DART beam forms tri-methylammonium adducts of the carbohydrates, which enables positive ion MS detection and analysis of these compounds in either whole fungal extracts or size-exclusion separated HPLC fractions of the extracts. This method detects the disaccharide trehalose at concentrations greater than 3.0 ppm. Additionally, this procedure allows for analysis of glucose as well as the sugar alcohols mannitol, arabitol, and glycerol. The reliability of the DART-MS method is confirmed by the absence of trehalose in a mutant strain of F. verticillioides lacking the gene for trehalose-6-phosphate synthase. The capabilities demonstrated here suggest that the DART-MS method, in conjunction with size-exclusion HPLC, is an effective approach for the analysis of saccharide biomarkers in fungi.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-29},\n\tjournal = {Anal. Methods},\n\tauthor = {Roberts, Ethan S. and Boudreau, Beth A. and Brown, Daren W. and McQuade, Kristi L. and Remsen, Edward E.},\n\tyear = {2016},\n\tpages = {673--681},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time ionization-time-of-flight-mass spectrometry (DART-MS) and size-exclusion HPLC-DRI are used, respectively, to qualitatively and quantitatively determine the carbohydrates extracted from the corn rot fungus Fusarium verticillioides. In situ permethylation in the DART beam forms tri-methylammonium adducts of the carbohydrates, which enables positive ion MS detection and analysis of these compounds in either whole fungal extracts or size-exclusion separated HPLC fractions of the extracts. This method detects the disaccharide trehalose at concentrations greater than 3.0 ppm. Additionally, this procedure allows for analysis of glucose as well as the sugar alcohols mannitol, arabitol, and glycerol. The reliability of the DART-MS method is confirmed by the absence of trehalose in a mutant strain of F. verticillioides lacking the gene for trehalose-6-phosphate synthase. The capabilities demonstrated here suggest that the DART-MS method, in conjunction with size-exclusion HPLC, is an effective approach for the analysis of saccharide biomarkers in fungi.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry of potential by-products from homemade nitrate ester explosive synthesis.\n \n \n \n \n\n\n \n Sisco, E.; and Forbes, T. P.\n\n\n \n\n\n\n Talanta, 150: 177–183. April 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sisco_direct_2016,\n\ttitle = {Direct analysis in real time mass spectrometry of potential by-products from homemade nitrate ester explosive synthesis},\n\tvolume = {150},\n\tissn = {00399140},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0039914015305385},\n\tdoi = {10.1016/j.talanta.2015.12.013},\n\tabstract = {This work demonstrates the coupling of direct analysis in real time (DART) ionization with time-of-flight mass spectrometry (MS) in an off-axis configuration for the trace detection and analysis of potential partially nitrated and dimerized by-products of homemade nitrate ester explosive synthesis. Five compounds relating to the synthesis of nitroglycerin (NG) and pentaerythritol tetranitrate (PETN) were examined. Deprotonated ions and adducts with molecular oxygen, nitrite, and nitrate were observed in the mass spectral responses of these compounds. A global optimum temperature of 350 °C for the by-products investigated here enabled single nanogram to sub nanogram trace detection. Matrix effects were examined through a series of mixtures containing one or more compounds (sugar alcohol precursors, by-products, and/or explosives) across a range of mass loadings. The explosives MS responses experienced competitive ionization in the presence of all by-products. The magnitude of this influence corresponded to both the degree of by-product nitration and the relative mass loading of the by-product to the explosive. This work provides a characterization of potential by-products from homemade nitrate ester synthesis, including matrix effects and potential challenges that might arise from the trace detection of homemade explosives (HMEs) containing impurities. Detection and understanding of HME impurities and complex mixtures may provide valuable information for the screening and sourcing of homemade nitrate ester explosives.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Talanta},\n\tauthor = {Sisco, Edward and Forbes, Thomas P.},\n\tmonth = apr,\n\tyear = {2016},\n\tpages = {177--183},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n This work demonstrates the coupling of direct analysis in real time (DART) ionization with time-of-flight mass spectrometry (MS) in an off-axis configuration for the trace detection and analysis of potential partially nitrated and dimerized by-products of homemade nitrate ester explosive synthesis. Five compounds relating to the synthesis of nitroglycerin (NG) and pentaerythritol tetranitrate (PETN) were examined. Deprotonated ions and adducts with molecular oxygen, nitrite, and nitrate were observed in the mass spectral responses of these compounds. A global optimum temperature of 350 °C for the by-products investigated here enabled single nanogram to sub nanogram trace detection. Matrix effects were examined through a series of mixtures containing one or more compounds (sugar alcohol precursors, by-products, and/or explosives) across a range of mass loadings. The explosives MS responses experienced competitive ionization in the presence of all by-products. The magnitude of this influence corresponded to both the degree of by-product nitration and the relative mass loading of the by-product to the explosive. This work provides a characterization of potential by-products from homemade nitrate ester synthesis, including matrix effects and potential challenges that might arise from the trace detection of homemade explosives (HMEs) containing impurities. Detection and understanding of HME impurities and complex mixtures may provide valuable information for the screening and sourcing of homemade nitrate ester explosives.\n
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\n \n\n \n \n \n \n \n \n Identification of unknown compounds from polyester cans coatings that may potentially migrate into food or food simulants.\n \n \n \n \n\n\n \n Paseiro-Cerrato, R.; MacMahon, S.; Ridge, C. D.; Noonan, G. O.; and Begley, T. H.\n\n\n \n\n\n\n Journal of Chromatography A, 1444: 106–113. April 2016.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{paseiro-cerrato_identification_2016,\n\ttitle = {Identification of unknown compounds from polyester cans coatings that may potentially migrate into food or food simulants},\n\tvolume = {1444},\n\tissn = {00219673},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S002196731630303X},\n\tdoi = {10.1016/j.chroma.2016.03.038},\n\tabstract = {Cross-linked polyester resins are being introduced into the market as alternatives to epoxy resins as coatings for metal food cans. Identification of potential migrants, from these coatings into food, is a significant analytical challenge due to the diversity of substances employed in the manufacture of the coatings. However, such identification is required to assess migration from the can coating into the food and quantify dietary exposure. Polyester can coatings were extracted with acetonitrile at 40 °C for 24 h and the extracts were analyzed by a variety of analytical techniques, including GC–MS, HPLC-DAD/MS, HPLC-DAD/CAD and UHPL C-HRMS. Twenty nine non-volatile oligomers were tentatively identified using retention times, UV spectra, and accurate mass measurements. Identified oligomers suggest the coating in use for food cans is a polyester coating and is mainly based on the monomers isophthalic acid, terephthalic acid and nadic acid. To give confidence in the identification, one of the tentatively identified oligomer was synthetized and analyzed by 13C and 1H NMR and UHPL C-HRMS. The NMR and HRMS results, confirmed the presence of this compound in the can extracts. Finally, to determine if rapid, direct detection of the oligomers was practical, the coatings were analyzed by DART-HRMS. Twenty three out of the 29 oligomers were identified in the coating by direct measurement with DART-HRMS in few minutes.},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Paseiro-Cerrato, Rafael and MacMahon, Shaun and Ridge, Clark D. and Noonan, Gregory O. and Begley, Timothy H.},\n\tmonth = apr,\n\tyear = {2016},\n\tpages = {106--113},\n}\n\n\n\n
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\n Cross-linked polyester resins are being introduced into the market as alternatives to epoxy resins as coatings for metal food cans. Identification of potential migrants, from these coatings into food, is a significant analytical challenge due to the diversity of substances employed in the manufacture of the coatings. However, such identification is required to assess migration from the can coating into the food and quantify dietary exposure. Polyester can coatings were extracted with acetonitrile at 40 °C for 24 h and the extracts were analyzed by a variety of analytical techniques, including GC–MS, HPLC-DAD/MS, HPLC-DAD/CAD and UHPL C-HRMS. Twenty nine non-volatile oligomers were tentatively identified using retention times, UV spectra, and accurate mass measurements. Identified oligomers suggest the coating in use for food cans is a polyester coating and is mainly based on the monomers isophthalic acid, terephthalic acid and nadic acid. To give confidence in the identification, one of the tentatively identified oligomer was synthetized and analyzed by 13C and 1H NMR and UHPL C-HRMS. The NMR and HRMS results, confirmed the presence of this compound in the can extracts. Finally, to determine if rapid, direct detection of the oligomers was practical, the coatings were analyzed by DART-HRMS. Twenty three out of the 29 oligomers were identified in the coating by direct measurement with DART-HRMS in few minutes.\n
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\n \n\n \n \n \n \n \n \n In vivo real-time monitoring of aphrodisiac pheromone release of small white cabbage butterflies (Pieris rapae).\n \n \n \n \n\n\n \n Li, Y.; and Mathews, R. A.\n\n\n \n\n\n\n Journal of Insect Physiology, 91-92: 107–112. August 2016.\n \n\n\n\n
\n\n\n\n \n \n \"InPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_vivo_2016,\n\ttitle = {In vivo real-time monitoring of aphrodisiac pheromone release of small white cabbage butterflies ({Pieris} rapae)},\n\tvolume = {91-92},\n\tissn = {00221910},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0022191016300804},\n\tdoi = {10.1016/j.jinsphys.2016.07.006},\n\tabstract = {The study of insect behavior is of practical importance for developing possible control methods in Integrated Pest Management. Currently, one model of butterfly mating behavior suggests that the initial location of potential mates occurs visually followed by the release of one or more short-range male aphrodisiac pheromones. This model is supported by data obtained from field observations and inferences based on the behavioral effects of chemicals extracted or isolated using indirect and offline techniques. In this study, we performed in vivo real-time monitoring of the male aphrodisiac pheromones released by the small white cabbage male butterfly (Pieris rapae Linnaeus) using confined direct analysis in real time (cDART) mass spectrometry. cDART is a new method easily adapted to the study in real time of chemicals released into the environment by virtually any insect. The major compound released by the male Pieris rapae was identified as ferrulactone. The experimental results reported here indicate that the release of ferrulactone occurs less than 1 s after the male visualizes its partner, and reaches a maximum after about one half minute. This study is the first reported in vivo detection and monitoring of butterfly male aphrodisiac pheromones in real time.},\n\tlanguage = {en},\n\turldate = {2016-08-18},\n\tjournal = {Journal of Insect Physiology},\n\tauthor = {Li, Yue and Mathews, Robert A.},\n\tmonth = aug,\n\tyear = {2016},\n\tpages = {107--112},\n}\n\n\n\n
\n
\n\n\n
\n The study of insect behavior is of practical importance for developing possible control methods in Integrated Pest Management. Currently, one model of butterfly mating behavior suggests that the initial location of potential mates occurs visually followed by the release of one or more short-range male aphrodisiac pheromones. This model is supported by data obtained from field observations and inferences based on the behavioral effects of chemicals extracted or isolated using indirect and offline techniques. In this study, we performed in vivo real-time monitoring of the male aphrodisiac pheromones released by the small white cabbage male butterfly (Pieris rapae Linnaeus) using confined direct analysis in real time (cDART) mass spectrometry. cDART is a new method easily adapted to the study in real time of chemicals released into the environment by virtually any insect. The major compound released by the male Pieris rapae was identified as ferrulactone. The experimental results reported here indicate that the release of ferrulactone occurs less than 1 s after the male visualizes its partner, and reaches a maximum after about one half minute. This study is the first reported in vivo detection and monitoring of butterfly male aphrodisiac pheromones in real time.\n
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\n \n\n \n \n \n \n \n \n Rapid screening of testosterone in the aquatic environment using direct analysis in real-time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Lei, Y. T.; Lu, Y.; Zhang, T. C.; Qi, Y.; and Lu, Y. F.\n\n\n \n\n\n\n Environmental Earth Sciences, 75(12). June 2016.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lei_rapid_2016,\n\ttitle = {Rapid screening of testosterone in the aquatic environment using direct analysis in real-time ({DART}) mass spectrometry},\n\tvolume = {75},\n\tissn = {1866-6280, 1866-6299},\n\turl = {http://link.springer.com/10.1007/s12665-016-5830-z},\n\tdoi = {10.1007/s12665-016-5830-z},\n\tabstract = {Testosterone (TES) in the aquatic environment was analyzed for the first time using direct analysis in real-time mass spectrometry (DART MS) without any sample pre-treatment. TES with the addition of 2H and its dehydration products was observed. The instrument parameters were studied systematically and optimized concerning the specific analyte. Limits of detection for the pure compound were 2.5 ng for TES spiked in raw wastewater samples and 500 pg in TES standards. The whole analysis time was within 1 min. A simple derivatization of TES by hydroxylamine and introducing ammonia as dopant gas for the sensitivity and intensity enhancement were also investigated. Both methods improved the intensity of the TES signal by about twofold. The results of this study illustrate that DART MS is capable to detect TES in complicated matrixes and could realize the rapid and direct screening of TES in the aquatic environment at a low nanogram range for pure compound without coupling with any pre-treatment tools.},\n\tlanguage = {en},\n\tnumber = {12},\n\turldate = {2016-07-15},\n\tjournal = {Environmental Earth Sciences},\n\tauthor = {Lei, Y. T. and Lu, Y. and Zhang, Tian C. and Qi, Y. and Lu, Y. F.},\n\tmonth = jun,\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n Testosterone (TES) in the aquatic environment was analyzed for the first time using direct analysis in real-time mass spectrometry (DART MS) without any sample pre-treatment. TES with the addition of 2H and its dehydration products was observed. The instrument parameters were studied systematically and optimized concerning the specific analyte. Limits of detection for the pure compound were 2.5 ng for TES spiked in raw wastewater samples and 500 pg in TES standards. The whole analysis time was within 1 min. A simple derivatization of TES by hydroxylamine and introducing ammonia as dopant gas for the sensitivity and intensity enhancement were also investigated. Both methods improved the intensity of the TES signal by about twofold. The results of this study illustrate that DART MS is capable to detect TES in complicated matrixes and could realize the rapid and direct screening of TES in the aquatic environment at a low nanogram range for pure compound without coupling with any pre-treatment tools.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time (DART) and a portable mass spectrometer for rapid identification of common and designer drugs on-site.\n \n \n \n \n\n\n \n Brown, H.; Oktem, B.; Windom, A.; Doroshenko, V.; and Evans-Nguyen, K.\n\n\n \n\n\n\n Forensic Chemistry, 1: 66–73. August 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{brown_direct_2016,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) and a portable mass spectrometer for rapid identification of common and designer drugs on-site},\n\tvolume = {1},\n\tissn = {24681709},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S246817091630011X},\n\tdoi = {10.1016/j.forc.2016.07.002},\n\tabstract = {Identification and differentiation of the consistently evolving designer drugs being encountered by law enforcement is challenging established techniques in drug analysis. We report the coupling of Direct Analysis in Real Time (DART) with a portable ion trap mass spectrometer to yield an instrument that can be used for identification of drugs in the field. Initial validation experiments were done in a laboratory setting using pure drug standards to generate an initial library of MS and MS/MS spectra. Additionally, complex mixtures were tested to evaluate the use of MS/MS to eliminate matrix interferents from DART spectra which were obtained with minimal sample preparation or chromatography. Finally, the instrumentation and a small canister of compressed nitrogen gas was transported both to an evidence room and a crime laboratory for on-site analysis of actual drug samples. Numerous pieces of evidence including a suspected cannabis leaf and samples suspected to be “K2”, cocaine, heroin, methamphetamine, an oxycodone tablet, and an alprazolam tablet were directly analyzed, yielding accurate results in real-time. This instrumentation is a viable, commercially available option for rapid mass spectrometry of common and newer designer drugs in the field.},\n\tlanguage = {en},\n\turldate = {2016-08-18},\n\tjournal = {Forensic Chemistry},\n\tauthor = {Brown, Hilary and Oktem, Berk and Windom, Ashley and Doroshenko, Vladimir and Evans-Nguyen, Kenyon},\n\tmonth = aug,\n\tyear = {2016},\n\tpages = {66--73},\n}\n\n\n\n
\n
\n\n\n
\n Identification and differentiation of the consistently evolving designer drugs being encountered by law enforcement is challenging established techniques in drug analysis. We report the coupling of Direct Analysis in Real Time (DART) with a portable ion trap mass spectrometer to yield an instrument that can be used for identification of drugs in the field. Initial validation experiments were done in a laboratory setting using pure drug standards to generate an initial library of MS and MS/MS spectra. Additionally, complex mixtures were tested to evaluate the use of MS/MS to eliminate matrix interferents from DART spectra which were obtained with minimal sample preparation or chromatography. Finally, the instrumentation and a small canister of compressed nitrogen gas was transported both to an evidence room and a crime laboratory for on-site analysis of actual drug samples. Numerous pieces of evidence including a suspected cannabis leaf and samples suspected to be “K2”, cocaine, heroin, methamphetamine, an oxycodone tablet, and an alprazolam tablet were directly analyzed, yielding accurate results in real-time. This instrumentation is a viable, commercially available option for rapid mass spectrometry of common and newer designer drugs in the field.\n
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\n \n\n \n \n \n \n \n \n Quantitation of Acrylamide in Foods by High-Resolution Mass Spectrometry.\n \n \n \n \n\n\n \n Troise, A. D.; and Fogliano, V.\n\n\n \n\n\n\n In Acrylamide in Food, pages 481–495. Elsevier, 2016.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{troise_quantitation_2016,\n\ttitle = {Quantitation of {Acrylamide} in {Foods} by {High}-{Resolution} {Mass} {Spectrometry}},\n\tisbn = {978-0-12-802832-2},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/B9780128028322000255},\n\tabstract = {The use of liquid chromatography high–resolution mass spectrometry (LC–HRMS) and direct analysis real-time high-resolution mass spectrometry (DART–HRMS) defines a new scenario in the analysis of thermal-induced toxicants, such as acrylamide. Several factors contribute to the definition of the complex network related to the acrylamide detection—high polarity, low molecular weight, and matrix effects. In this respect, LC–HRMS offers some advantages such as high reproducibility, low relative standard deviation, and high mass accuracy. In addition, DART approach is able to combine chemometric tools and analytical chemistry. A general overview on the pros and cons related to acrylamide detection by HRMS is provided focusing on the relationship between predictive, indirect, and targeted analysis. Both techniques are compared with the golden standards for acrylamide detection to get more insights into the proper analytical strategy for its quantification.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tbooktitle = {Acrylamide in {Food}},\n\tpublisher = {Elsevier},\n\tauthor = {Troise, Antonio D. and Fogliano, Vincenzo},\n\tyear = {2016},\n\tpages = {481--495},\n}\n\n\n\n
\n
\n\n\n
\n The use of liquid chromatography high–resolution mass spectrometry (LC–HRMS) and direct analysis real-time high-resolution mass spectrometry (DART–HRMS) defines a new scenario in the analysis of thermal-induced toxicants, such as acrylamide. Several factors contribute to the definition of the complex network related to the acrylamide detection—high polarity, low molecular weight, and matrix effects. In this respect, LC–HRMS offers some advantages such as high reproducibility, low relative standard deviation, and high mass accuracy. In addition, DART approach is able to combine chemometric tools and analytical chemistry. A general overview on the pros and cons related to acrylamide detection by HRMS is provided focusing on the relationship between predictive, indirect, and targeted analysis. Both techniques are compared with the golden standards for acrylamide detection to get more insights into the proper analytical strategy for its quantification.\n
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\n \n\n \n \n \n \n \n \n Combined use of direct analysis in real-time/Orbitrap mass spectrometry and micro-Raman spectroscopy for the comprehensive characterization of real explosive samples.\n \n \n \n \n\n\n \n Bridoux, M. C.; Schwarzenberg, A.; Schramm, S.; and Cole, R. B.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry. June 2016.\n \n\n\n\n
\n\n\n\n \n \n \"CombinedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bridoux_combined_2016,\n\ttitle = {Combined use of direct analysis in real-time/{Orbitrap} mass spectrometry and micro-{Raman} spectroscopy for the comprehensive characterization of real explosive samples},\n\tissn = {1618-2642, 1618-2650},\n\turl = {http://link.springer.com/10.1007/s00216-016-9691-9},\n\tdoi = {10.1007/s00216-016-9691-9},\n\tabstract = {Direct Analysis in Real Time (DART™) high-resolution Orbitrap™ mass spectrometry (HRMS) in combination with Raman microscopy was used for the detailed molecular level characterization of explosives including not only the charge but also the complex matrix of binders, plasticizers, polymers, and other possible organic additives. A total of 15 defused military weapons including grenades, mines, rockets, submunitions, and mortars were examined. Swabs and wipes were used to collect trace (residual) amounts of explosives and their organic constituents from the defused military weapons and micrometer-size explosive particles were transferred using a vacuum suction-impact collection device (vacuum impactor) from wipe and swap samples to an impaction plate made of carbon. The particles deposited on the carbon plate were then characterized using micro-Raman spectroscopy followed by DART-HRMS providing fingerprint signatures of orthogonal nature. The optical microscope of the micro-Raman spectrometer was first used to localize and characterize the explosive charge on the impaction plate which was then targeted for identification by DART-HRMS analysis in both the negative and positive modes. Raman spectra of the explosives TNT, RDX and PETN were acquired from micrometer size particles and characterized by the presence of their characteristic Raman bands obtained directly at the surface of the impaction plate nondestructively without further sample preparation. Negative mode DART-HRMS confirmed the types of charges contained in the weapons (mainly TNT, RDX, HMX, and PETN; either as individual components or as mixtures). These energetic compounds were mainly detected as deprotonated species [M–H]−, or as adduct [M + 35Cl]−, [M + 37Cl]−, or [M + NO3]− anions. Chloride adducts were promoted in the heated DART reagent gas by adding chloroform vapors to the helium stream using an “in-house” delivery method. When the polarity was switched to positive mode, DART-HRMS revealed a very complex distribution of polymeric binders (mainly polyethylene glycols and polypropylene glycols), plasticizers (e.g., dioctyl sebacate, tributyl phosphate), as well as wax-like compounds whose structural features could not be precisely assigned. In positive mode, compounds were identified either as protonated molecules or ammonium adduct species. These results clearly demonstrate the complementarity of micro-Raman microscopy combined with DART-MS. The former technique provides structural information on the type of explosives present at the surface of the sample, whereas the latter provides not only a confirmation of the nature of the explosive charge but also useful additional information regarding the nature of the complex organic matrix of binders, plasticizers, polymers, oils, and potentially other organic additives and contaminants present in the sample. Combining these two techniques provides a powerful tool for the screening, comprehensive characterization, and differentiation of particulate explosive samples for forensic sciences and homeland security applications.},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Bridoux, Maxime C. and Schwarzenberg, Adrián and Schramm, Sébastien and Cole, Richard B.},\n\tmonth = jun,\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART™) high-resolution Orbitrap™ mass spectrometry (HRMS) in combination with Raman microscopy was used for the detailed molecular level characterization of explosives including not only the charge but also the complex matrix of binders, plasticizers, polymers, and other possible organic additives. A total of 15 defused military weapons including grenades, mines, rockets, submunitions, and mortars were examined. Swabs and wipes were used to collect trace (residual) amounts of explosives and their organic constituents from the defused military weapons and micrometer-size explosive particles were transferred using a vacuum suction-impact collection device (vacuum impactor) from wipe and swap samples to an impaction plate made of carbon. The particles deposited on the carbon plate were then characterized using micro-Raman spectroscopy followed by DART-HRMS providing fingerprint signatures of orthogonal nature. The optical microscope of the micro-Raman spectrometer was first used to localize and characterize the explosive charge on the impaction plate which was then targeted for identification by DART-HRMS analysis in both the negative and positive modes. Raman spectra of the explosives TNT, RDX and PETN were acquired from micrometer size particles and characterized by the presence of their characteristic Raman bands obtained directly at the surface of the impaction plate nondestructively without further sample preparation. Negative mode DART-HRMS confirmed the types of charges contained in the weapons (mainly TNT, RDX, HMX, and PETN; either as individual components or as mixtures). These energetic compounds were mainly detected as deprotonated species [M–H]−, or as adduct [M + 35Cl]−, [M + 37Cl]−, or [M + NO3]− anions. Chloride adducts were promoted in the heated DART reagent gas by adding chloroform vapors to the helium stream using an “in-house” delivery method. When the polarity was switched to positive mode, DART-HRMS revealed a very complex distribution of polymeric binders (mainly polyethylene glycols and polypropylene glycols), plasticizers (e.g., dioctyl sebacate, tributyl phosphate), as well as wax-like compounds whose structural features could not be precisely assigned. In positive mode, compounds were identified either as protonated molecules or ammonium adduct species. These results clearly demonstrate the complementarity of micro-Raman microscopy combined with DART-MS. The former technique provides structural information on the type of explosives present at the surface of the sample, whereas the latter provides not only a confirmation of the nature of the explosive charge but also useful additional information regarding the nature of the complex organic matrix of binders, plasticizers, polymers, oils, and potentially other organic additives and contaminants present in the sample. Combining these two techniques provides a powerful tool for the screening, comprehensive characterization, and differentiation of particulate explosive samples for forensic sciences and homeland security applications.\n
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\n \n\n \n \n \n \n \n \n Real Time Monitoring of Containerless Microreactions in Acoustically Levitated Droplets via Ambient Ionization Mass Spectrometry.\n \n \n \n \n\n\n \n Crawford, E. A.; Esen, C.; and Volmer, D. A.\n\n\n \n\n\n\n Analytical Chemistry. August 2016.\n \n\n\n\n
\n\n\n\n \n \n \"RealPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{crawford_real_2016,\n\ttitle = {Real {Time} {Monitoring} of {Containerless} {Microreactions} in {Acoustically} {Levitated} {Droplets} via {Ambient} {Ionization} {Mass} {Spectrometry}},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.analchem.6b01519},\n\tdoi = {10.1021/acs.analchem.6b01519},\n\tabstract = {Direct in-droplet (in stillo) microreaction monitoring using acoustically levitated micro droplets has been achieved by combining acoustic (ultrasonic) levitation for the first time with real time ambient tandem mass spectrometry (MS/MS). The acoustic levitation and inherent mixing of microliter volumes of reactants (3 µL droplets) – yielding total reaction volumes of 6 µL – supported monitoring the acid-catalyzed degradation reaction of erythromycin A. This reaction was chosen to demonstrate the proof-of-principle of directly monitoring in stillo microreactions via hyphenated acoustic levitation and ambient ionization mass spectrometry. The microreactions took place completely in stillo over 30, 60 and 120 s within the containerless stable central pressure node of an acoustic levitator, thus readily promoting reaction miniaturization. For the evaluation of the miniaturized in stillo reactions, the degradation reactions were also carried out in vials (in vitro) with a total reaction volume of 400 µL. The reacted in vitro mixtures (6 µL total) were similarly introduced into the acoustic levitator prior to ambient ionization MS/MS analysis. The in stillo miniaturized reactions provided immediate real-time snap-shots of the degradation process for more accurate reaction monitoring and used a fraction of the reactants, while the larger scale in vitro reactions only yielded general reaction information.},\n\tlanguage = {en},\n\turldate = {2016-08-10},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Crawford, Elizabeth A. and Esen, Cemal and Volmer, Dietrich A.},\n\tmonth = aug,\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n Direct in-droplet (in stillo) microreaction monitoring using acoustically levitated micro droplets has been achieved by combining acoustic (ultrasonic) levitation for the first time with real time ambient tandem mass spectrometry (MS/MS). The acoustic levitation and inherent mixing of microliter volumes of reactants (3 µL droplets) – yielding total reaction volumes of 6 µL – supported monitoring the acid-catalyzed degradation reaction of erythromycin A. This reaction was chosen to demonstrate the proof-of-principle of directly monitoring in stillo microreactions via hyphenated acoustic levitation and ambient ionization mass spectrometry. The microreactions took place completely in stillo over 30, 60 and 120 s within the containerless stable central pressure node of an acoustic levitator, thus readily promoting reaction miniaturization. For the evaluation of the miniaturized in stillo reactions, the degradation reactions were also carried out in vials (in vitro) with a total reaction volume of 400 µL. The reacted in vitro mixtures (6 µL total) were similarly introduced into the acoustic levitator prior to ambient ionization MS/MS analysis. The in stillo miniaturized reactions provided immediate real-time snap-shots of the degradation process for more accurate reaction monitoring and used a fraction of the reactants, while the larger scale in vitro reactions only yielded general reaction information.\n
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\n \n\n \n \n \n \n \n \n Improvement in ionization efficiency of direct analysis in real time-mass spectrometry (DART-MS) by corona discharge.\n \n \n \n \n\n\n \n Sekimoto, K.; Sakakura, M.; Kawamukai, T.; Hike, H.; Shiota, T.; Usui, F.; Bando, Y.; and Takayama, M.\n\n\n \n\n\n\n The Analyst. 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ImprovementPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sekimoto_improvement_2016,\n\ttitle = {Improvement in ionization efficiency of direct analysis in real time-mass spectrometry ({DART}-{MS}) by corona discharge},\n\tissn = {0003-2654, 1364-5528},\n\turl = {http://xlink.rsc.org/?DOI=C6AN00779A},\n\tdoi = {10.1039/C6AN00779A},\n\tabstract = {Herein it is shown that a combination of direct analysis in real time (DART) with a corona discharge system consisting of only a needle electrode easily improves DART ionization efficiency. Positive and negative DC corona discharges led to a formation of abundant excited helium atoms as well as the reactant ions H3O+(H2O)n and O2˙− in the DART analyte ionization area. These phenomena resulted in an increase in the absolute intensities of (de)protonated analytes by a factor of 2–20 over conventional DART. The other analyte ions detected in this corona–DART system (i.e., molecular ions, fragment ions, oxygenated (de)protonated analytes, dehydrogenated deprotonated analytes, and negative ion adducts) were quite similar to those obtained from DART alone. This indicates a lack of side reactions due to the corona discharge. The change in the relative intensities of individual analyte-related ions due to the combination of a corona discharge system with DART suggests that there is no effect of the abundant excited helium in the analyte ionization area on the fragmentation processes or enhancement of oxidation due to hydroxyl radicals HO˙. Furthermore, it was found that the corona–DART combination can be applied to the highly sensitive analysis of n-alkanes, in which the alkanes are ionized as positive ions via hydride abstraction and oxidation, independent of the type of alkane or the mass spectrometer used.},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {The Analyst},\n\tauthor = {Sekimoto, Kanako and Sakakura, Motoshi and Kawamukai, Takatomo and Hike, Hiroshi and Shiota, Teruhisa and Usui, Fumihiko and Bando, Yasuhiko and Takayama, Mitsuo},\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n Herein it is shown that a combination of direct analysis in real time (DART) with a corona discharge system consisting of only a needle electrode easily improves DART ionization efficiency. Positive and negative DC corona discharges led to a formation of abundant excited helium atoms as well as the reactant ions H3O+(H2O)n and O2˙− in the DART analyte ionization area. These phenomena resulted in an increase in the absolute intensities of (de)protonated analytes by a factor of 2–20 over conventional DART. The other analyte ions detected in this corona–DART system (i.e., molecular ions, fragment ions, oxygenated (de)protonated analytes, dehydrogenated deprotonated analytes, and negative ion adducts) were quite similar to those obtained from DART alone. This indicates a lack of side reactions due to the corona discharge. The change in the relative intensities of individual analyte-related ions due to the combination of a corona discharge system with DART suggests that there is no effect of the abundant excited helium in the analyte ionization area on the fragmentation processes or enhancement of oxidation due to hydroxyl radicals HO˙. Furthermore, it was found that the corona–DART combination can be applied to the highly sensitive analysis of n-alkanes, in which the alkanes are ionized as positive ions via hydride abstraction and oxidation, independent of the type of alkane or the mass spectrometer used.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time high resolution mass spectrometry as a tool for rapid characterization of mind-altering plant materials and revelation of supplement adulteration – The case of Kanna.\n \n \n \n \n\n\n \n Lesiak, A. D.; Cody, R. B.; Ubukata, M.; and Musah, R. A.\n\n\n \n\n\n\n Forensic Science International, 260: 66–73. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_direct_2016,\n\ttitle = {Direct analysis in real time high resolution mass spectrometry as a tool for rapid characterization of mind-altering plant materials and revelation of supplement adulteration – {The} case of {Kanna}},\n\tvolume = {260},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073815005381},\n\tdoi = {10.1016/j.forsciint.2015.12.037},\n\tlanguage = {en},\n\turldate = {2016-03-22},\n\tjournal = {Forensic Science International},\n\tauthor = {Lesiak, Ashton D. and Cody, Robert B. and Ubukata, Masaaki and Musah, Rabi A.},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {66--73},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n \n The current and potential applications of Ambient Mass Spectrometry in detecting food fraud.\n \n \n \n \n\n\n \n Black, C.; Chevallier, O. P.; and Elliott, C. T.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry, 82: 268–278. September 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{black_current_2016,\n\ttitle = {The current and potential applications of {Ambient} {Mass} {Spectrometry} in detecting food fraud},\n\tvolume = {82},\n\tissn = {01659936},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0165993616301017},\n\tdoi = {10.1016/j.trac.2016.06.005},\n\tabstract = {The adulteration of food has received substantial amounts of media attention in the last few years, with events\nsuch as the European horsemeat scandal in 2013 sending shockwaves through society. Almost all cases are\nmotivated by the pursuit of profits and are often aided by long and complex supply chains. In the past few\nyears, the rapid growth of ambient mass spectrometry (AMS) has been remarkable, with over thirty different\nambient ionisation techniques available. Due to the increasing concerns of the food industry and regulators\nworldwide, AMS is now being utilised to investigate whether or not it can generate results which are faster\nyet comparable to those of conventional techniques. This article reviews some aspects of the adulteration of\nfood and its impact on the economy and the public’s health, the background to ambient mass spectrometry\nand the studies that have been undertaken to detect food adulteration using this technology.},\n\tlanguage = {en},\n\turldate = {2016-07-14},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Black, Connor and Chevallier, Olivier P. and Elliott, Christopher T.},\n\tmonth = sep,\n\tyear = {2016},\n\tpages = {268--278},\n}\n\n\n\n
\n
\n\n\n
\n The adulteration of food has received substantial amounts of media attention in the last few years, with events such as the European horsemeat scandal in 2013 sending shockwaves through society. Almost all cases are motivated by the pursuit of profits and are often aided by long and complex supply chains. In the past few years, the rapid growth of ambient mass spectrometry (AMS) has been remarkable, with over thirty different ambient ionisation techniques available. Due to the increasing concerns of the food industry and regulators worldwide, AMS is now being utilised to investigate whether or not it can generate results which are faster yet comparable to those of conventional techniques. This article reviews some aspects of the adulteration of food and its impact on the economy and the public’s health, the background to ambient mass spectrometry and the studies that have been undertaken to detect food adulteration using this technology.\n
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\n \n\n \n \n \n \n \n \n Characterizing and classifying water-based lubricants using direct analysis in real time®–time of flight mass spectrometry.\n \n \n \n \n\n\n \n Maric, M.; and Bridge, C.\n\n\n \n\n\n\n Forensic Science International, 266: 73–79. September 2016.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{maric_characterizing_2016,\n\ttitle = {Characterizing and classifying water-based lubricants using direct analysis in real time®–time of flight mass spectrometry},\n\tvolume = {266},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073816302018},\n\tdoi = {10.1016/j.forsciint.2016.04.036},\n\tabstract = {Lubricant analysis is a relatively recent addition to the examination protocol in sexual assault cases by the forensic science community. Currently, lubricants cannot be unequivocally identified, although their presence can be determined based on the detection of a few chemical components, i.e. polydimethylsiloxane, polyethylene glycol, glycerol or nonoxynol-9. Confirmation of their presence typically requires that an authentic reference sample be submitted and compared to the unknown sample to determine if they potentially came from the same source. In this study, 33 individual personal water-based lubricants were characterized by direct analysis in real time–time of flight mass spectroscopy (DART–TOFMS). The resultant mass spectral data were evaluated using well-established multivariate statistical techniques, such as principal component and linear discriminant analysis. Statistical analysis revealed six different groupings within the data that could be correlated to sub-categories of water-based lubricants that contain additives in the form of anesthetics, sensation enhancers and flavorings. This variability in the personal lubricant sources can be utilized to aid in identifying the specific type of lubricant when only a questioned sample is available.},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {Forensic Science International},\n\tauthor = {Maric, Mark and Bridge, Candice},\n\tmonth = sep,\n\tyear = {2016},\n\tpages = {73--79},\n}\n\n\n\n
\n
\n\n\n
\n Lubricant analysis is a relatively recent addition to the examination protocol in sexual assault cases by the forensic science community. Currently, lubricants cannot be unequivocally identified, although their presence can be determined based on the detection of a few chemical components, i.e. polydimethylsiloxane, polyethylene glycol, glycerol or nonoxynol-9. Confirmation of their presence typically requires that an authentic reference sample be submitted and compared to the unknown sample to determine if they potentially came from the same source. In this study, 33 individual personal water-based lubricants were characterized by direct analysis in real time–time of flight mass spectroscopy (DART–TOFMS). The resultant mass spectral data were evaluated using well-established multivariate statistical techniques, such as principal component and linear discriminant analysis. Statistical analysis revealed six different groupings within the data that could be correlated to sub-categories of water-based lubricants that contain additives in the form of anesthetics, sensation enhancers and flavorings. This variability in the personal lubricant sources can be utilized to aid in identifying the specific type of lubricant when only a questioned sample is available.\n
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\n \n\n \n \n \n \n \n \n More than just heat: ambient ionization mass spectrometry for determination of the species of origin of processed commercial products—application to psychoactive pepper supplements.\n \n \n \n \n\n\n \n Lesiak, A. D.; and Musah, R. A.\n\n\n \n\n\n\n Anal. Methods, 8(7): 1646–1658. 2016.\n \n\n\n\n
\n\n\n\n \n \n \"MorePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_more_2016,\n\ttitle = {More than just heat: ambient ionization mass spectrometry for determination of the species of origin of processed commercial products—application to psychoactive pepper supplements},\n\tvolume = {8},\n\tissn = {1759-9660, 1759-9679},\n\tshorttitle = {More than just heat},\n\turl = {http://xlink.rsc.org/?DOI=C5AY02570B},\n\tdoi = {10.1039/C5AY02570B},\n\tlanguage = {en},\n\tnumber = {7},\n\turldate = {2016-03-22},\n\tjournal = {Anal. Methods},\n\tauthor = {Lesiak, Ashton D. and Musah, Rabi A.},\n\tyear = {2016},\n\tpages = {1646--1658},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Application of ambient ionization high resolution mass spectrometry to determination of the botanical provenance of the constituents of psychoactive drug mixtures.\n \n \n \n \n\n\n \n Lesiak, A. D.; and Musah, R. A.\n\n\n \n\n\n\n Forensic Science International, 266: 271–280. September 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_application_2016,\n\ttitle = {Application of ambient ionization high resolution mass spectrometry to determination of the botanical provenance of the constituents of psychoactive drug mixtures},\n\tvolume = {266},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073816302614},\n\tdoi = {10.1016/j.forsciint.2016.06.009},\n\tabstract = {A continuing challenge in analytical chemistry is species-level determination of the constituents of mixtures that are made of a combination of plant species. There is an added urgency to identify components in botanical mixtures that have mind altering properties, due to the increasing global abuse of combinations of such plants. Here we demonstrate the proof of principle that ambient ionization mass spectrometry, namely direct analysis in real time-high resolution mass spectrometry (DART-HRMS), and statistical analysis tools can be used to rapidly determine the individual components within a psychoactive brew (Ayahuasca) made from a mixture of botanicals. Five plant species used in Ayahuasca preparations were subjected to DART-HRMS analysis. The chemical fingerprint of each was reproducible but unique, thus enabling discrimination between them. The presence of important biomarkers, including N,N-dimethyltryptamine, harmaline and harmine, was confirmed using in-source collision-induced dissociation (CID). Six Ayahuasca brews made from combinations of various plant species were shown to possess a high level of similarity, despite having been made from different constituents. Nevertheless, the application of principal component analysis (PCA) was useful in distinguishing between each of the brews based on the botanical species used in the preparations. From a training set based on 900 individual analyses, three principal components covered 86.38\\% of the variance, and the leave-one-out cross validation was 98.88\\%. This is the first report of ambient ionization MS being successfully used for determination of the individual components of plant mixtures.},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {Forensic Science International},\n\tauthor = {Lesiak, Ashton D. and Musah, Rabi A.},\n\tmonth = sep,\n\tyear = {2016},\n\tpages = {271--280},\n}\n\n\n\n
\n
\n\n\n
\n A continuing challenge in analytical chemistry is species-level determination of the constituents of mixtures that are made of a combination of plant species. There is an added urgency to identify components in botanical mixtures that have mind altering properties, due to the increasing global abuse of combinations of such plants. Here we demonstrate the proof of principle that ambient ionization mass spectrometry, namely direct analysis in real time-high resolution mass spectrometry (DART-HRMS), and statistical analysis tools can be used to rapidly determine the individual components within a psychoactive brew (Ayahuasca) made from a mixture of botanicals. Five plant species used in Ayahuasca preparations were subjected to DART-HRMS analysis. The chemical fingerprint of each was reproducible but unique, thus enabling discrimination between them. The presence of important biomarkers, including N,N-dimethyltryptamine, harmaline and harmine, was confirmed using in-source collision-induced dissociation (CID). Six Ayahuasca brews made from combinations of various plant species were shown to possess a high level of similarity, despite having been made from different constituents. Nevertheless, the application of principal component analysis (PCA) was useful in distinguishing between each of the brews based on the botanical species used in the preparations. From a training set based on 900 individual analyses, three principal components covered 86.38% of the variance, and the leave-one-out cross validation was 98.88%. This is the first report of ambient ionization MS being successfully used for determination of the individual components of plant mixtures.\n
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\n \n\n \n \n \n \n \n \n Coupling solid-phase microextraction with ambient mass spectrometry: Strategies and applications.\n \n \n \n \n\n\n \n Fang, L.; Deng, J.; Yang, Y.; Wang, X.; Chen, B.; Liu, H.; Zhou, H.; Ouyang, G.; and Luan, T.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"CouplingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fang_coupling_2016,\n\ttitle = {Coupling solid-phase microextraction with ambient mass spectrometry: {Strategies} and applications},\n\tissn = {01659936},\n\tshorttitle = {Coupling solid-phase microextraction with ambient mass spectrometry},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S016599361630022X},\n\tdoi = {10.1016/j.trac.2016.05.025},\n\tabstract = {The rapid development of solid-phase microextraction (SPME) coupled with ambient mass spectrom-\netry (AMS) in recent years gives us the opportunities for direct and straightforward analysis of trace analytes\nin complex biological, environmental, forensic, food, individual small organism, and even single cell samples\nunder ambient and open-air condition. This review article summarized the field of SPME coupled with\nAMS that has been published to date. The strategies for coupling SPME to AMS were summarized and discussed, and the typical applications of SPME coupled with AMS were commented.},\n\tlanguage = {en},\n\turldate = {2016-07-14},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Fang, Ling and Deng, Jiewei and Yang, Yunyun and Wang, Xiaowei and Chen, Baowei and Liu, Hongtao and Zhou, Haiyun and Ouyang, Gangfeng and Luan, Tiangang},\n\tmonth = may,\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n The rapid development of solid-phase microextraction (SPME) coupled with ambient mass spectrom- etry (AMS) in recent years gives us the opportunities for direct and straightforward analysis of trace analytes in complex biological, environmental, forensic, food, individual small organism, and even single cell samples under ambient and open-air condition. This review article summarized the field of SPME coupled with AMS that has been published to date. The strategies for coupling SPME to AMS were summarized and discussed, and the typical applications of SPME coupled with AMS were commented.\n
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\n \n\n \n \n \n \n \n \n Rapid detection of hazardous chemicals in textiles by direct analysis in real-time mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Antal, B.; Kuki, Á.; Nagy, L.; Nagy, T.; Zsuga, M.; and Kéki, S.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 408(19): 5189–5198. July 2016.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{antal_rapid_2016,\n\ttitle = {Rapid detection of hazardous chemicals in textiles by direct analysis in real-time mass spectrometry ({DART}-{MS})},\n\tvolume = {408},\n\tissn = {1618-2642, 1618-2650},\n\turl = {http://link.springer.com/10.1007/s00216-016-9603-z},\n\tdoi = {10.1007/s00216-016-9603-z},\n\tabstract = {Residues of chemicals on clothing products were examined by direct analysis in real-time (DART) mass spectrometry. Our experiments have revealed the presence of more than 40 chemicals in 15 different clothing items. The identification was confirmed by DART tandem mass spectrometry (MS/MS) experiments for 14 compounds. The most commonly detected hazardous substances were nonylphenol ethoxylates (NPEs), phthalic acid esters (phthalates), amines released by azo dyes, and quinoline derivates. DART-MS was able to detect NPEs on the skin of the person wearing the clothing item contaminated by NPE residuals. Automated data acquisition and processing method was developed and tested for the recognition of NPE residues thereby reducing the analysis time.},\n\tlanguage = {en},\n\tnumber = {19},\n\turldate = {2016-07-14},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Antal, Borbála and Kuki, Ákos and Nagy, Lajos and Nagy, Tibor and Zsuga, Miklós and Kéki, Sándor},\n\tmonth = jul,\n\tyear = {2016},\n\tpages = {5189--5198},\n}\n\n\n\n
\n
\n\n\n
\n Residues of chemicals on clothing products were examined by direct analysis in real-time (DART) mass spectrometry. Our experiments have revealed the presence of more than 40 chemicals in 15 different clothing items. The identification was confirmed by DART tandem mass spectrometry (MS/MS) experiments for 14 compounds. The most commonly detected hazardous substances were nonylphenol ethoxylates (NPEs), phthalic acid esters (phthalates), amines released by azo dyes, and quinoline derivates. DART-MS was able to detect NPEs on the skin of the person wearing the clothing item contaminated by NPE residuals. Automated data acquisition and processing method was developed and tested for the recognition of NPE residues thereby reducing the analysis time.\n
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\n \n\n \n \n \n \n \n \n Rapid Identification of Synthetic Cannabinoids in Herbal Incenses with DART-MS and NMR.\n \n \n \n \n\n\n \n Marino, M. A.; Voyer, B.; Cody, R. B.; Dane, A. J.; Veltri, M.; and Huang, L.\n\n\n \n\n\n\n Journal of Forensic Sciences, 61: S82–S91. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{marino_rapid_2016,\n\ttitle = {Rapid {Identification} of {Synthetic} {Cannabinoids} in {Herbal} {Incenses} with {DART}-{MS} and {NMR}},\n\tvolume = {61},\n\tissn = {00221198},\n\turl = {http://doi.wiley.com/10.1111/1556-4029.12932},\n\tdoi = {10.1111/1556-4029.12932},\n\tabstract = {The usage of herbal incenses containing synthetic cannabinoids has caused an increase in medical incidents and triggered legislations to ban these products throughout the world. Law enforcement agencies are experiencing sample backlogs due to the variety of the products and the addition of new and still-legal compounds. In our study, proton nuclear magnetic resonance (NMR) spectroscopy was employed to promptly screen the synthetic cannabinoids after their rapid, direct detection on the herbs and in the powders by direct analysis in real time mass spectrometry (DART-MS). A simple sample preparation protocol was employed on 50 mg of herbal sample matrices for quick NMR detection. Ten synthetic cannabinoids were discovered in fifteen herbal incenses. The combined DART-MS and NMR methods can be used to quickly screen synthetic cannabinoids in powder and herbal samples, serving as a complementary approach to conventional GC-MS or LC-MS methods.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Marino, Michael A. and Voyer, Brandy and Cody, Robert B. and Dane, A. John and Veltri, Mercurio and Huang, Ling},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {S82--S91},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The usage of herbal incenses containing synthetic cannabinoids has caused an increase in medical incidents and triggered legislations to ban these products throughout the world. Law enforcement agencies are experiencing sample backlogs due to the variety of the products and the addition of new and still-legal compounds. In our study, proton nuclear magnetic resonance (NMR) spectroscopy was employed to promptly screen the synthetic cannabinoids after their rapid, direct detection on the herbs and in the powders by direct analysis in real time mass spectrometry (DART-MS). A simple sample preparation protocol was employed on 50 mg of herbal sample matrices for quick NMR detection. Ten synthetic cannabinoids were discovered in fifteen herbal incenses. The combined DART-MS and NMR methods can be used to quickly screen synthetic cannabinoids in powder and herbal samples, serving as a complementary approach to conventional GC-MS or LC-MS methods.\n
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\n \n\n \n \n \n \n \n \n Characterization of the oxidation products of Shengli lignite using mass spectrometers with “hard”, “soft” and ambient ion sources.\n \n \n \n \n\n\n \n Wang, M.; Fan, X.; Wei, X.; Cao, J.; Zhao, Y.; Wang, S.; Wang, C.; and Wang, R.\n\n\n \n\n\n\n Fuel, 183: 115–122. November 2016.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_characterization_2016,\n\ttitle = {Characterization of the oxidation products of {Shengli} lignite using mass spectrometers with “hard”, “soft” and ambient ion sources},\n\tvolume = {183},\n\tissn = {00162361},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0016236116304641},\n\tdoi = {10.1016/j.fuel.2016.06.012},\n\tabstract = {Shengli lignite (SL) was oxidized and depolymerized in aqueous sodium hypochlorite under mild conditions followed by sequential extraction with ethoxyethane and ethyl acetate. The extracts were analyzed by Fourier transform infrared spectroscopy, gas chromatograph/mass spectrometry (GC/MS), time-of-flight mass spectrometry (TOF-MS) equipped with electrospray ionization (ESI), and direct analysis in real time (DART) to understand the structural features of SL. In total, 130, 272, and 818 compounds were identified by GC/MS, ESI-MS, and DART-MS, respectively, and the corresponding molecular mass distributions are between 70 and 322, 114 and 664, 113 and 753 u, respectively. GC/MS detected molecules with low molecular mass and polarity, and the major species include aliphatic acids, benzene polycarboxylic acids, chloro-substituted species and nitrogen-containing compounds. A large number of heteroatom-containing compounds (oxygen, nitrogen and sulfur) with relatively high molecular mass and unsaturation degree were determined using ESI-MS. As an ambient ionization technique, DART speeded up the analysis time with little or no sample pretreatment. Compared to the other two MS techniques, DART-MS broadened the measurement range, and OxN5, and OxN6 classes were only detected by DART-MS.},\n\tlanguage = {en},\n\turldate = {2016-07-15},\n\tjournal = {Fuel},\n\tauthor = {Wang, Miao and Fan, Xing and Wei, Xian-Yong and Cao, Jing-Pei and Zhao, Yun-Peng and Wang, Shou-Ze and Wang, Chu-Fan and Wang, Rui-Yu},\n\tmonth = nov,\n\tyear = {2016},\n\tpages = {115--122},\n}\n\n\n\n
\n
\n\n\n
\n Shengli lignite (SL) was oxidized and depolymerized in aqueous sodium hypochlorite under mild conditions followed by sequential extraction with ethoxyethane and ethyl acetate. The extracts were analyzed by Fourier transform infrared spectroscopy, gas chromatograph/mass spectrometry (GC/MS), time-of-flight mass spectrometry (TOF-MS) equipped with electrospray ionization (ESI), and direct analysis in real time (DART) to understand the structural features of SL. In total, 130, 272, and 818 compounds were identified by GC/MS, ESI-MS, and DART-MS, respectively, and the corresponding molecular mass distributions are between 70 and 322, 114 and 664, 113 and 753 u, respectively. GC/MS detected molecules with low molecular mass and polarity, and the major species include aliphatic acids, benzene polycarboxylic acids, chloro-substituted species and nitrogen-containing compounds. A large number of heteroatom-containing compounds (oxygen, nitrogen and sulfur) with relatively high molecular mass and unsaturation degree were determined using ESI-MS. As an ambient ionization technique, DART speeded up the analysis time with little or no sample pretreatment. Compared to the other two MS techniques, DART-MS broadened the measurement range, and OxN5, and OxN6 classes were only detected by DART-MS.\n
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\n \n\n \n \n \n \n \n \n Effects of ion source operating parameters on direct analysis in real time of 18 active components from traditional Chinese medicine.\n \n \n \n \n\n\n \n Wang, L.; Zeng, S.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 121: 30–38. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"EffectsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_effects_2016,\n\ttitle = {Effects of ion source operating parameters on direct analysis in real time of 18 active components from traditional {Chinese} medicine},\n\tvolume = {121},\n\tissn = {07317085},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0731708516300012},\n\tdoi = {10.1016/j.jpba.2016.01.001},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) provides a new analytical method for traditional Chinese medicine (TCM). The present study investigated the effects of key ion source operating parameters on DART-MS analysis of various TCM active components. A total of 18 active components, including phenylpropanoids, alkaloids, saponins, flavones, volatile oils, and glycosides, were examined. For each substance, the peak area and signal-to-noise of its characteristic ions under different reagent gases and heater temperatures were compared. Based on the comparison, the relationships among chemical structures, ion source parameters and instrument responses were revealed. Finally, some suggestions about choosing reagent gas and heater temperature were proposed for types of TCM active substance, which offered a reference for the application of DART-MS on TCM analysis.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Wang, Lu and Zeng, Shanshan and Qu, Haibin},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {30--38},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) provides a new analytical method for traditional Chinese medicine (TCM). The present study investigated the effects of key ion source operating parameters on DART-MS analysis of various TCM active components. A total of 18 active components, including phenylpropanoids, alkaloids, saponins, flavones, volatile oils, and glycosides, were examined. For each substance, the peak area and signal-to-noise of its characteristic ions under different reagent gases and heater temperatures were compared. Based on the comparison, the relationships among chemical structures, ion source parameters and instrument responses were revealed. Finally, some suggestions about choosing reagent gas and heater temperature were proposed for types of TCM active substance, which offered a reference for the application of DART-MS on TCM analysis.\n
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\n \n\n \n \n \n \n \n \n Novel determination of caffeine in human urine by direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Song, Y.; Chen, L.; Liu, C. C.; Zha, C.; and Wang, B.\n\n\n \n\n\n\n Instrumentation Science & Technology, 44(2): 172–180. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"NovelPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{song_novel_2016,\n\ttitle = {Novel determination of caffeine in human urine by direct analysis in real time mass spectrometry},\n\tvolume = {44},\n\tissn = {1073-9149, 1525-6030},\n\turl = {http://www.tandfonline.com/doi/full/10.1080/10739149.2015.1077340},\n\tdoi = {10.1080/10739149.2015.1077340},\n\tabstract = {Determination of caffeine is necessary for clinical research. A new method for the determination of caffeine in human urine was established by direct analysis in real time mass spectrometry using multiple reaction monitoring. The m/z 195.1 to 138.1 amu transition was employed in positive ionization mode. The preparation and analysis conditions were systemically optimized. The calibration curve was linear from 0.5-50 μg/mL with a limit of detection limit of 0.2 μg/mL. Intra-day and inter-day accuracy and precision were within the acceptable limits of ±15\\% at all concentrations. Moreover, the matrix effects for the determination of caffeine were evaluated. In conclusion, a simple, rapid, and reliable method without complex sample preparation and chromatographic separation was developed and validated for the determination of caffeine in human urine.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-03-22},\n\tjournal = {Instrumentation Science \\& Technology},\n\tauthor = {Song, Yu-qiao and Chen, Li and Liu, Charles C. and Zha, Cheng and Wang, Bin},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {172--180},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Determination of caffeine is necessary for clinical research. A new method for the determination of caffeine in human urine was established by direct analysis in real time mass spectrometry using multiple reaction monitoring. The m/z 195.1 to 138.1 amu transition was employed in positive ionization mode. The preparation and analysis conditions were systemically optimized. The calibration curve was linear from 0.5-50 μg/mL with a limit of detection limit of 0.2 μg/mL. Intra-day and inter-day accuracy and precision were within the acceptable limits of ±15% at all concentrations. Moreover, the matrix effects for the determination of caffeine were evaluated. In conclusion, a simple, rapid, and reliable method without complex sample preparation and chromatographic separation was developed and validated for the determination of caffeine in human urine.\n
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\n \n\n \n \n \n \n \n \n Rapid Oxidation of Skin Oil by Ozone.\n \n \n \n \n\n\n \n Zhou, S.; Forbes, M. W.; Katrib, Y.; and Abbatt, J. P. D.\n\n\n \n\n\n\n Environmental Science & Technology Letters, 3(4): 170–174. April 2016.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhou_rapid_2016,\n\ttitle = {Rapid {Oxidation} of {Skin} {Oil} by {Ozone}},\n\tvolume = {3},\n\tissn = {2328-8930, 2328-8930},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.estlett.6b00086},\n\tdoi = {10.1021/acs.estlett.6b00086},\n\tabstract = {The reaction of gas-phase ozone with human skin oil has been studied at room temperature. Skin oil was exposed to ozone at mixing ratios similar to those in the ambient environment and then analyzed for condensed-phase products using direct analysis in real time mass spectrometry (DART-MS). Prior to ozone exposure, skin oil gives rise to prominent mass spectral signals indicative of highly unsaturated alkenes, sterols, triglycerides, long-chain fatty acids, pyroglutamic acid, and probably waxy esters. Upon oxidation with 50 ppb ozone for 90 min, there is a rapid loss of alkene, fatty acid, and triglyceride signals resulting from efficient multiphase ozonolysis. Oxygenated products, including a variety of carboxylic acids, are identified via studies with pure compounds present in skin oil, i.e., squalene, cholesterol, and triolein. The chemistry is rapid, occurring on time scales of tens of minutes, implying that these highly oxygenated reaction products are always present on human skin both indoors and outdoors.},\n\tlanguage = {en},\n\tnumber = {4},\n\turldate = {2016-06-01},\n\tjournal = {Environmental Science \\& Technology Letters},\n\tauthor = {Zhou, Shouming and Forbes, Matthew W. and Katrib, Yasmine and Abbatt, Jonathan P. D.},\n\tmonth = apr,\n\tyear = {2016},\n\tpages = {170--174},\n}\n\n\n\n
\n
\n\n\n
\n The reaction of gas-phase ozone with human skin oil has been studied at room temperature. Skin oil was exposed to ozone at mixing ratios similar to those in the ambient environment and then analyzed for condensed-phase products using direct analysis in real time mass spectrometry (DART-MS). Prior to ozone exposure, skin oil gives rise to prominent mass spectral signals indicative of highly unsaturated alkenes, sterols, triglycerides, long-chain fatty acids, pyroglutamic acid, and probably waxy esters. Upon oxidation with 50 ppb ozone for 90 min, there is a rapid loss of alkene, fatty acid, and triglyceride signals resulting from efficient multiphase ozonolysis. Oxygenated products, including a variety of carboxylic acids, are identified via studies with pure compounds present in skin oil, i.e., squalene, cholesterol, and triolein. The chemistry is rapid, occurring on time scales of tens of minutes, implying that these highly oxygenated reaction products are always present on human skin both indoors and outdoors.\n
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\n \n\n \n \n \n \n \n \n Analytical Strategies for Doping Control Purposes: Needs, Challenges, and Perspectives.\n \n \n \n \n\n\n \n Nicoli, R.; Guillarme, D.; Leuenberger, N.; Baume, N.; Robinson, N.; Saugy, M.; and Veuthey, J.\n\n\n \n\n\n\n Analytical Chemistry, 88(1): 508–523. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"AnalyticalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{nicoli_analytical_2016,\n\ttitle = {Analytical {Strategies} for {Doping} {Control} {Purposes}: {Needs}, {Challenges}, and {Perspectives}},\n\tvolume = {88},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Analytical {Strategies} for {Doping} {Control} {Purposes}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.analchem.5b03994},\n\tdoi = {10.1021/acs.analchem.5b03994},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nicoli, Raul and Guillarme, Davy and Leuenberger, Nicolas and Baume, Norbert and Robinson, Neil and Saugy, Martial and Veuthey, Jean-Luc},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {508--523},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Enhancing phytochemical levels, enzymatic and antioxidant activity of spinach leaves by chitosan treatment and an insight into the metabolic pathway using DART-MS technique.\n \n \n \n \n\n\n \n Singh, S.\n\n\n \n\n\n\n Food Chemistry, 199: 176–184. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"EnhancingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{singh_enhancing_2016,\n\ttitle = {Enhancing phytochemical levels, enzymatic and antioxidant activity of spinach leaves by chitosan treatment and an insight into the metabolic pathway using {DART}-{MS} technique},\n\tvolume = {199},\n\tissn = {03088146},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0308814615302673},\n\tdoi = {10.1016/j.foodchem.2015.11.127},\n\tabstract = {Phytochemicals are health promoting compounds, synthesized by the plants to protect them against biotic or abiotic stress. The metabolic pathways leading to the synthesis of these phytochemicals are highly inducible; therefore methods could be developed to enhance their production by the exogenous application of chemical inducers/elicitors. In the present experiment, chitosan was used as an elicitor molecule to improve the phytochemical content of spinach plant. When applied at a concentration of 0.01 mg/ml as a foliar spray, chitosan was able to cause an increase in the enzymatic (peroxidase, catalase and phenylalanine ammonium lyase (PAL)) and non enzymatic (total phenolics, flavonoids and proteins) defensive metabolites, as well as, in the total antioxidant activity of the spinach leaves. A 1.7-fold increase in the total phenolics, a 2-fold increase in total flavonoid and a 1.6-fold increase in total protein were achieved with the treatment. A higher level of enzymatic activity was observed with a 4-fold increase in peroxidase and approximately 3-fold increases in catalase and phenylalanine ammonium lyase activity. Antioxidant activity showed a positive correlation between phenolic compounds and the enzymatic activity. Direct analysis in real time mass spectrometry (DART-MS) was applied to generate the metabolite profile of control and treated leaves. DART analysis revealed the activation of phenylpropanoid pathway by chitosan molecule, targeting the synthesis of diverse classes of flavonoids and their glycosides. Important metabolites of stress response were also visible in the DART spectra, including proline and free sugars.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Food Chemistry},\n\tauthor = {Singh, Shachi},\n\tmonth = may,\n\tyear = {2016},\n\tpages = {176--184},\n}\n\n\n\n
\n
\n\n\n
\n Phytochemicals are health promoting compounds, synthesized by the plants to protect them against biotic or abiotic stress. The metabolic pathways leading to the synthesis of these phytochemicals are highly inducible; therefore methods could be developed to enhance their production by the exogenous application of chemical inducers/elicitors. In the present experiment, chitosan was used as an elicitor molecule to improve the phytochemical content of spinach plant. When applied at a concentration of 0.01 mg/ml as a foliar spray, chitosan was able to cause an increase in the enzymatic (peroxidase, catalase and phenylalanine ammonium lyase (PAL)) and non enzymatic (total phenolics, flavonoids and proteins) defensive metabolites, as well as, in the total antioxidant activity of the spinach leaves. A 1.7-fold increase in the total phenolics, a 2-fold increase in total flavonoid and a 1.6-fold increase in total protein were achieved with the treatment. A higher level of enzymatic activity was observed with a 4-fold increase in peroxidase and approximately 3-fold increases in catalase and phenylalanine ammonium lyase activity. Antioxidant activity showed a positive correlation between phenolic compounds and the enzymatic activity. Direct analysis in real time mass spectrometry (DART-MS) was applied to generate the metabolite profile of control and treated leaves. DART analysis revealed the activation of phenylpropanoid pathway by chitosan molecule, targeting the synthesis of diverse classes of flavonoids and their glycosides. Important metabolites of stress response were also visible in the DART spectra, including proline and free sugars.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time (DART) of an Organothiophosphate at Ultrahigh Resolution by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry and Tandem Mass Spectrometry.\n \n \n \n \n\n\n \n Prokai, L.; and Stevens, S.\n\n\n \n\n\n\n International Journal of Molecular Sciences, 17(1): 116. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{prokai_direct_2016,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) of an {Organothiophosphate} at {Ultrahigh} {Resolution} by {Fourier} {Transform} {Ion} {Cyclotron} {Resonance} {Mass} {Spectrometry} and {Tandem} {Mass} {Spectrometry}},\n\tvolume = {17},\n\tissn = {1422-0067},\n\turl = {http://www.mdpi.com/1422-0067/17/1/116},\n\tdoi = {10.3390/ijms17010116},\n\tabstract = {Direct analysis in real time (DART) is a recently developed ambient ionization technique for mass spectrometry to enable rapid and sensitive analyses with little or no sample preparation. After swab-based field sampling, the organothiophosphate malathion was analyzed using DART-Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS) and tandem mass spectrometry (MS/MS). Mass resolution was documented to be over 800,000 in full-scan MS mode and over 1,000,000 for an MS/MS product ion produced by collision-induced dissociation of the protonated analyte. Mass measurement accuracy below 1 ppm was obtained for all DART-generated ions that belonged to the test compound in the mass spectra acquired using only external mass calibration. This high mass measurement accuracy, achievable at present only through FTMS, was required for unequivocal identification of the corresponding molecular formulae.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-29},\n\tjournal = {International Journal of Molecular Sciences},\n\tauthor = {Prokai, Laszlo and Stevens, Stanley},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {116},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is a recently developed ambient ionization technique for mass spectrometry to enable rapid and sensitive analyses with little or no sample preparation. After swab-based field sampling, the organothiophosphate malathion was analyzed using DART-Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS) and tandem mass spectrometry (MS/MS). Mass resolution was documented to be over 800,000 in full-scan MS mode and over 1,000,000 for an MS/MS product ion produced by collision-induced dissociation of the protonated analyte. Mass measurement accuracy below 1 ppm was obtained for all DART-generated ions that belonged to the test compound in the mass spectra acquired using only external mass calibration. This high mass measurement accuracy, achievable at present only through FTMS, was required for unequivocal identification of the corresponding molecular formulae.\n
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\n \n\n \n \n \n \n \n \n The qualitative and quantitative analysis of lubricant oil additives by direct analysis in real time-mass spectrometry.\n \n \n \n \n\n\n \n Da Costa, C.; Whitmarsh, S.; Lynch, T.; and Creaser, C. S.\n\n\n \n\n\n\n International Journal of Mass Spectrometry. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{da_costa_qualitative_2016,\n\ttitle = {The qualitative and quantitative analysis of lubricant oil additives by direct analysis in real time-mass spectrometry},\n\tissn = {13873806},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1387380616300525},\n\tdoi = {10.1016/j.ijms.2016.05.011},\n\tabstract = {The application of direct analysis in real time combined with mass spectrometry (DART-MS) to the qualitative analysis of lubricant and oil additives, and the quantitative analysis of a lubricant antioxidant additive is reported. The additives were analysed alone and in the presence of a base oil matrix, from filter paper, glass and steel surfaces, showing the potential of the DART-MS technique for the direct, rapid analysis of lubricant oil additives. The quantitative capabilities of the technique were evaluated for the antioxidant in an oil matrix at concentrations in the range 0.1–8 mg/mL in oil (1–80 μg antioxidant on spot), using a structural analogue of the antioxidant as an internal standard. The linearity (R2 = 0.997), precision (\\% RSD = 2.6\\%) and LOD (0.04 mg/mL in oil) of the method demonstrates that DART-MS is capable of the rapid determination of additives in oil without pre-extraction.},\n\tlanguage = {en},\n\turldate = {2016-05-24},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Da Costa, Caitlyn and Whitmarsh, Samuel and Lynch, Tom and Creaser, Colin S.},\n\tmonth = may,\n\tyear = {2016},\n}\n\n\n\n
\n
\n\n\n
\n The application of direct analysis in real time combined with mass spectrometry (DART-MS) to the qualitative analysis of lubricant and oil additives, and the quantitative analysis of a lubricant antioxidant additive is reported. The additives were analysed alone and in the presence of a base oil matrix, from filter paper, glass and steel surfaces, showing the potential of the DART-MS technique for the direct, rapid analysis of lubricant oil additives. The quantitative capabilities of the technique were evaluated for the antioxidant in an oil matrix at concentrations in the range 0.1–8 mg/mL in oil (1–80 μg antioxidant on spot), using a structural analogue of the antioxidant as an internal standard. The linearity (R2 = 0.997), precision (% RSD = 2.6%) and LOD (0.04 mg/mL in oil) of the method demonstrates that DART-MS is capable of the rapid determination of additives in oil without pre-extraction.\n
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\n \n\n \n \n \n \n \n \n Forensic Chemistry and Ambient Mass Spectrometry: A Perfect Couple Destined for a Happy Marriage?.\n \n \n \n \n\n\n \n Correa, D. N.; Santos, J. M.; Eberlin, L. S.; Eberlin, M. N.; and Teunissen, S. F.\n\n\n \n\n\n\n Analytical Chemistry, 88(5): 2515–2526. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ForensicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{correa_forensic_2016,\n\ttitle = {Forensic {Chemistry} and {Ambient} {Mass} {Spectrometry}: {A} {Perfect} {Couple} {Destined} for a {Happy} {Marriage}?},\n\tvolume = {88},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Forensic {Chemistry} and {Ambient} {Mass} {Spectrometry}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.analchem.5b02397},\n\tdoi = {10.1021/acs.analchem.5b02397},\n\tabstract = {Ambient mass spectrometry has been demonstrated, via various proof-of-concept studies, to o\nff\ner a\npowerful, rather universal, simple, fast, nondestructive, and robust tool in forensic chemistry,\nproducing reliable evidence at the molecular level. Its nearly nondestructive nature also preserves the\nsample for further inquiries. This feature article demonstrates the applicability of ambient mass\nspectrometry in forensic chemistry and explains the challenges that need to be overcome for this\ntechnique to make the ultimate step from the academic world into forensic institutes worldwide. We\nanticipate that the many bene\nfi\ncial and matching\nfi\ngures of merit will bring forensic chemistry and\nambient mass spectrometry to a long-term relationship, which is likely to get strongly consolidated\nover the years.},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-04-26},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Correa, Deleon N. and Santos, Jandyson M. and Eberlin, Livia S. and Eberlin, Marcos N. and Teunissen, Sebastiaan F.},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {2515--2526},\n}\n\n\n\n
\n
\n\n\n
\n Ambient mass spectrometry has been demonstrated, via various proof-of-concept studies, to o ff er a powerful, rather universal, simple, fast, nondestructive, and robust tool in forensic chemistry, producing reliable evidence at the molecular level. Its nearly nondestructive nature also preserves the sample for further inquiries. This feature article demonstrates the applicability of ambient mass spectrometry in forensic chemistry and explains the challenges that need to be overcome for this technique to make the ultimate step from the academic world into forensic institutes worldwide. We anticipate that the many bene fi cial and matching fi gures of merit will bring forensic chemistry and ambient mass spectrometry to a long-term relationship, which is likely to get strongly consolidated over the years.\n
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\n \n\n \n \n \n \n \n \n Tandem DART™ MS Methods for Methadone Analysis in Unprocessed Urine.\n \n \n \n \n\n\n \n Beck, R.; Carter, P.; Shonsey, E.; and Graves, D.\n\n\n \n\n\n\n Journal of Analytical Toxicology, 40(2): 140–147. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"TandemPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{beck_tandem_2016,\n\ttitle = {Tandem {DART}™ {MS} {Methods} for {Methadone} {Analysis} in {Unprocessed} {Urine}},\n\tvolume = {40},\n\tissn = {0146-4760, 1945-2403},\n\turl = {http://jat.oxfordjournals.org/lookup/doi/10.1093/jat/bkv128},\n\tdoi = {10.1093/jat/bkv128},\n\tabstract = {Current methods of methadone analysis in untreated urine are traditionally limited to enzyme immunoassays (EIA) while confirmation techniques require specimen processing (i.e., sample clean-up) before analyzing by gas or liquid chromatography coupled with mass spectrometry (GC-MS or LC-MS-MS). EIA and traditional confirmation techniques can be costly and, at times inefficient. As an alternative approach, we present Direct Analysis in Real Time (DART™) coupled with both time-of-flight and triple quadrupole linear ion trap (Q-TRAP™) mass spectrometers for screening and confirming methadone in untreated urine specimens. These approaches require neither expensive kits nor sample clean-up for analysis. More importantly, the total combined analysis time for both screening and confirmation methods was {\\textless}5 min per sample; in contrast to the 3-5 day process required by traditional EIA, GC-MS and LC-MS-MS techniques. To examine the fundamental protocol and its applicability for routine drug screening, studies were performed that included limits of detection, precision, selectivity and specificity, sample recovery and stability and method robustness. The methods described in this report were determined to be highly specific and selective; allowing for detection of methadone at 250 ng/mL, consistent with cutoffs for current EIA techniques (300 ng/mL). The results reported here demonstrate the DART™ MS platform provides rapid and selective methadone analysis and the potential for providing savings of both time and resources compared with current analysis procedures.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-03-22},\n\tjournal = {Journal of Analytical Toxicology},\n\tauthor = {Beck, Rachel and Carter, Patrick and Shonsey, Erin and Graves, David},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {140--147},\n}\n\n\n\n
\n
\n\n\n
\n Current methods of methadone analysis in untreated urine are traditionally limited to enzyme immunoassays (EIA) while confirmation techniques require specimen processing (i.e., sample clean-up) before analyzing by gas or liquid chromatography coupled with mass spectrometry (GC-MS or LC-MS-MS). EIA and traditional confirmation techniques can be costly and, at times inefficient. As an alternative approach, we present Direct Analysis in Real Time (DART™) coupled with both time-of-flight and triple quadrupole linear ion trap (Q-TRAP™) mass spectrometers for screening and confirming methadone in untreated urine specimens. These approaches require neither expensive kits nor sample clean-up for analysis. More importantly, the total combined analysis time for both screening and confirmation methods was \\textless5 min per sample; in contrast to the 3-5 day process required by traditional EIA, GC-MS and LC-MS-MS techniques. To examine the fundamental protocol and its applicability for routine drug screening, studies were performed that included limits of detection, precision, selectivity and specificity, sample recovery and stability and method robustness. The methods described in this report were determined to be highly specific and selective; allowing for detection of methadone at 250 ng/mL, consistent with cutoffs for current EIA techniques (300 ng/mL). The results reported here demonstrate the DART™ MS platform provides rapid and selective methadone analysis and the potential for providing savings of both time and resources compared with current analysis procedures.\n
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\n \n\n \n \n \n \n \n \n Detection of polydimethylsiloxanes transferred from silicone-coated parchment paper to baked goods using direct analysis in real time mass spectrometry: DART detects silicone on food baked on parchment.\n \n \n \n \n\n\n \n Jakob, A.; Crawford, E. A.; and Gross, J. H.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 51(4): 298–304. April 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jakob_detection_2016,\n\ttitle = {Detection of polydimethylsiloxanes transferred from silicone-coated parchment paper to baked goods using direct analysis in real time mass spectrometry: {DART} detects silicone on food baked on parchment},\n\tvolume = {51},\n\tissn = {10765174},\n\tshorttitle = {Detection of polydimethylsiloxanes transferred from silicone-coated parchment paper to baked goods using direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/jms.3757},\n\tdoi = {10.1002/jms.3757},\n\tlanguage = {en},\n\tnumber = {4},\n\turldate = {2016-05-20},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Jakob, Andreas and Crawford, Elizabeth A. and Gross, Jürgen H.},\n\tmonth = apr,\n\tyear = {2016},\n\tpages = {298--304},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Phase, composition, and growth mechanism for secondary organic aerosol from the ozonolysis of <i>α</i>-cedrene.\n \n \n \n \n\n\n \n Zhao, Y.; Wingen, L. M.; Perraud, V.; and Finlayson-Pitts, B. J.\n\n\n \n\n\n\n Atmospheric Chemistry and Physics, 16(5): 3245–3264. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"Phase,Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhao_phase_2016,\n\ttitle = {Phase, composition, and growth mechanism for secondary organic aerosol from the ozonolysis of \\&lt;i\\&gt;α\\&lt;/i\\&gt;-cedrene},\n\tvolume = {16},\n\tissn = {1680-7324},\n\turl = {http://www.atmos-chem-phys.net/16/3245/2016/},\n\tdoi = {10.5194/acp-16-3245-2016},\n\tabstract = {Sesquiterpenes are an important class of biogenic volatile organic compounds (BVOCs) and have a high secondary organic aerosol (SOA) forming potential. However, SOA formation from sesquiterpene oxidation has received less attention compared to other BVOCs such as monoterpenes, and the underlying mechanisms remain poorly understood. In this work, we present a comprehensive experimental investigation of the ozonolysis of α-cedrene both in a glass flow reactor (27-44 s reaction times) and in static Teflon chambers (30-60 min reaction times). The SOA was collected by impaction or filters, followed by analysis using attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy and electrospray ionization mass spectrometry (ESI-MS), or measured online using direct analysis in real-time mass spectrometry (DART-MS) and aerosol mass spectrometry (AMS). The slow evaporation of 2-ethylhexyl nitrate that was incorporated into the SOA during its formation and growth gives an estimated diffusion coefficient of 3 × 10-15 cm2 s-1 and shows that SOA is a highly viscous semisolid. Possible structures of four newly observed low molecular weight (MW ≤ 300 Da) reaction products with higher oxygen content than those previously reported were identified. High molecular weight (HMW) products formed in the early stages of the oxidation have structures consistent with aldol condensation products, peroxyhemiacetals, and esters. The size-dependent distributions of HMW products in the SOA, as well as the effects of stabilized Criegee intermediate (SCI) scavengers on HMW products and particle formation, confirm that HMW products and reactions of SCI play a crucial role in early stages of particle formation. Our studies provide new insights into mechanisms of SOA formation and growth in α-cedrene ozonolysis and the important role of sesquiterpenes in new particle formation as suggested by field measurements.},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-04-26},\n\tjournal = {Atmospheric Chemistry and Physics},\n\tauthor = {Zhao, Yue and Wingen, Lisa M. and Perraud, Véronique and Finlayson-Pitts, Barbara J.},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {3245--3264},\n}\n\n\n\n
\n
\n\n\n
\n Sesquiterpenes are an important class of biogenic volatile organic compounds (BVOCs) and have a high secondary organic aerosol (SOA) forming potential. However, SOA formation from sesquiterpene oxidation has received less attention compared to other BVOCs such as monoterpenes, and the underlying mechanisms remain poorly understood. In this work, we present a comprehensive experimental investigation of the ozonolysis of α-cedrene both in a glass flow reactor (27-44 s reaction times) and in static Teflon chambers (30-60 min reaction times). The SOA was collected by impaction or filters, followed by analysis using attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopy and electrospray ionization mass spectrometry (ESI-MS), or measured online using direct analysis in real-time mass spectrometry (DART-MS) and aerosol mass spectrometry (AMS). The slow evaporation of 2-ethylhexyl nitrate that was incorporated into the SOA during its formation and growth gives an estimated diffusion coefficient of 3 × 10-15 cm2 s-1 and shows that SOA is a highly viscous semisolid. Possible structures of four newly observed low molecular weight (MW ≤ 300 Da) reaction products with higher oxygen content than those previously reported were identified. High molecular weight (HMW) products formed in the early stages of the oxidation have structures consistent with aldol condensation products, peroxyhemiacetals, and esters. The size-dependent distributions of HMW products in the SOA, as well as the effects of stabilized Criegee intermediate (SCI) scavengers on HMW products and particle formation, confirm that HMW products and reactions of SCI play a crucial role in early stages of particle formation. Our studies provide new insights into mechanisms of SOA formation and growth in α-cedrene ozonolysis and the important role of sesquiterpenes in new particle formation as suggested by field measurements.\n
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\n \n\n \n \n \n \n \n \n Petroleomics by Direct Analysis in Real Time-Mass Spectrometry.\n \n \n \n \n\n\n \n Romão, W.; Tose, L. V.; Vaz, B. G.; Sama, S. G.; Lobinski, R.; Giusti, P.; Carrier, H.; and Bouyssiere, B.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 27(1): 182–185. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"PetroleomicsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{romao_petroleomics_2016,\n\ttitle = {Petroleomics by {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry}},\n\tvolume = {27},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-015-1266-z},\n\tdoi = {10.1007/s13361-015-1266-z},\n\tabstract = {The analysis of crude oil and its fractions by applying ambient ionization techniques remains underexplored in mass spectrometry (MS). Direct analysis in real time (DART) in the positive-ion mode was coupled to a linear quadrupole ion trap Orbitrap mass spectrometer (LTQ Orbitrap) to analyze crude oil, paraffin samples, and porphyrin standard compounds. The ionization parameters of DART-MS were optimized for crude oil analysis. DART-MS rendered the optimum conditions of the operation using paper as the substrate, T = 400°C, helium as the carrier gas, and a sample concentration 6 mg mL-1. In the crude oils analysis, the DART(+)-Orbitrap mass spectra detected the typical N, NO, and O-containing compounds. In the paraffin samples, oxidized hydrocarbon species (Ox classes, where x = 1-4) with double-bond equivalent of 1-4 were detected, and their structures and connectivity were confirmed by collision-induced dissociation (CID) experiments. DART(+)-MS has identified the porphyrin standard compounds as [M + H]+ ions of m/z 615.2502 and 680.1763, where M = C44H30N4 and C44H28N4OV, respectively, based on the formula assignment and by phenyl losses observed on CID experiments.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-29},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Romão, Wanderson and Tose, Lilian V. and Vaz, Boniek G. and Sama, Sara G. and Lobinski, Ryszard and Giusti, Pierre and Carrier, Hervé and Bouyssiere, Brice},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {182--185},\n}\n\n\n\n
\n
\n\n\n
\n The analysis of crude oil and its fractions by applying ambient ionization techniques remains underexplored in mass spectrometry (MS). Direct analysis in real time (DART) in the positive-ion mode was coupled to a linear quadrupole ion trap Orbitrap mass spectrometer (LTQ Orbitrap) to analyze crude oil, paraffin samples, and porphyrin standard compounds. The ionization parameters of DART-MS were optimized for crude oil analysis. DART-MS rendered the optimum conditions of the operation using paper as the substrate, T = 400°C, helium as the carrier gas, and a sample concentration 6 mg mL-1. In the crude oils analysis, the DART(+)-Orbitrap mass spectra detected the typical N, NO, and O-containing compounds. In the paraffin samples, oxidized hydrocarbon species (Ox classes, where x = 1-4) with double-bond equivalent of 1-4 were detected, and their structures and connectivity were confirmed by collision-induced dissociation (CID) experiments. DART(+)-MS has identified the porphyrin standard compounds as [M + H]+ ions of m/z 615.2502 and 680.1763, where M = C44H30N4 and C44H28N4OV, respectively, based on the formula assignment and by phenyl losses observed on CID experiments.\n
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\n \n\n \n \n \n \n \n \n Mechanosensitivity below Ground: Touch-Sensitive Smell-Producing Roots in the Shy Plant Mimosa pudica.\n \n \n \n \n\n\n \n Musah, R. A.; Lesiak, A. D.; Maron, M. J.; Cody, R. B.; Edwards, D.; Fowble, K. L.; Dane, A. J.; and Long, M. C.\n\n\n \n\n\n\n Plant Physiology, 170(2): 1075–1089. February 2016.\n \n\n\n\n
\n\n\n\n \n \n \"MechanosensitivityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{musah_mechanosensitivity_2016,\n\ttitle = {Mechanosensitivity below {Ground}: {Touch}-{Sensitive} {Smell}-{Producing} {Roots} in the {Shy} {Plant} {Mimosa} pudica},\n\tvolume = {170},\n\tissn = {0032-0889, 1532-2548},\n\tshorttitle = {Mechanosensitivity below {Ground}},\n\turl = {http://www.plantphysiol.org/lookup/doi/10.1104/pp.15.01705},\n\tdoi = {10.1104/pp.15.01705},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-03-22},\n\tjournal = {Plant Physiology},\n\tauthor = {Musah, Rabi A. and Lesiak, Ashton D. and Maron, Max J. and Cody, Robert B. and Edwards, David and Fowble, Kristen L. and Dane, A. John and Long, Michael C.},\n\tmonth = feb,\n\tyear = {2016},\n\tpages = {1075--1089},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Identification of print-related contaminants in food packaging.\n \n \n \n \n\n\n \n Lago, M. A.; and Ackerman, L. K.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 33(3): 518–529. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lago_identification_2016,\n\ttitle = {Identification of print-related contaminants in food packaging},\n\tvolume = {33},\n\tissn = {1944-0049, 1944-0057},\n\turl = {http://www.tandfonline.com/doi/full/10.1080/19440049.2015.1136435},\n\tdoi = {10.1080/19440049.2015.1136435},\n\tabstract = {Since the UV ink photoinitiator (PI) isopropylthioxanthone (ITX) was discovered in packaged milk, studies of print contamination have focused primarily on PIs but have also included amine synergists. Many other substances are used or formed during the print process, yet their identity and set-off properties have yet to be catalogued in food packaging. Three different techniques: direct analysis in real-time high-resolution mass spectrometry (DART-HRMS), gas chromatography-mass spectrometry (GC-MS) and ultra-high-pressure liquid chromatography electrospray ionisation/HRMS (UHPLC/ESI-HRMS) were used to detect and identify print-related molecules from the food-contact and print surfaces of three different packages with under-cured prints. This approach tentatively identified or confirmed 110 compounds, including 35 print-related molecules. The majority of compounds identified on food-contact surfaces were packaging monomers/byproducts, solvents/plasticisers, antioxidants/degradants or slip agents/lubricants. Of these, 28 showed evidence of set-off. The identities of 16 PIs, seven known scission products and five probable PI degradants were confirmed, most showing signs of set-off. Of the print-related molecules, at least five are novel print contaminants such as 4-morpholin-4-yl-benzaldehyde or 3-phenyl-2-benzofuran-1(3H)-one.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-03-22},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Lago, Miguel A. and Ackerman, Luke K.},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {518--529},\n}\n\n\n\n
\n
\n\n\n
\n Since the UV ink photoinitiator (PI) isopropylthioxanthone (ITX) was discovered in packaged milk, studies of print contamination have focused primarily on PIs but have also included amine synergists. Many other substances are used or formed during the print process, yet their identity and set-off properties have yet to be catalogued in food packaging. Three different techniques: direct analysis in real-time high-resolution mass spectrometry (DART-HRMS), gas chromatography-mass spectrometry (GC-MS) and ultra-high-pressure liquid chromatography electrospray ionisation/HRMS (UHPLC/ESI-HRMS) were used to detect and identify print-related molecules from the food-contact and print surfaces of three different packages with under-cured prints. This approach tentatively identified or confirmed 110 compounds, including 35 print-related molecules. The majority of compounds identified on food-contact surfaces were packaging monomers/byproducts, solvents/plasticisers, antioxidants/degradants or slip agents/lubricants. Of these, 28 showed evidence of set-off. The identities of 16 PIs, seven known scission products and five probable PI degradants were confirmed, most showing signs of set-off. Of the print-related molecules, at least five are novel print contaminants such as 4-morpholin-4-yl-benzaldehyde or 3-phenyl-2-benzofuran-1(3H)-one.\n
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\n \n\n \n \n \n \n \n \n (Un)targeted Scanning of Locks of Hair for Drugs of Abuse by Direct Analysis in Real Time–High-Resolution Mass Spectrometry.\n \n \n \n \n\n\n \n Duvivier, W. F.; van Putten, M. R.; van Beek, T. A.; and Nielen, M. W. F.\n\n\n \n\n\n\n Analytical Chemistry, 88(4): 2489–2496. February 2016.\n \n\n\n\n
\n\n\n\n \n \n \"(Un)targetedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{duvivier_targeted_2016,\n\ttitle = {({Un})targeted {Scanning} of {Locks} of {Hair} for {Drugs} of {Abuse} by {Direct} {Analysis} in {Real} {Time}–{High}-{Resolution} {Mass} {Spectrometry}},\n\tvolume = {88},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.analchem.5b04759},\n\tdoi = {10.1021/acs.analchem.5b04759},\n\tabstract = {Forensic hair evidence can be used to obtain retrospective timelines of drug use by analysis of hair segments. However, this is a laborious and time-consuming process, and mass spectrometric (MS) imaging techniques, which show great potential for single-hair targeted analysis, are less useful due to differences in hair growth rate between individual hairs. As an alternative, a fast untargeted analysis method was developed that uses direct analysis in real time-high-resolution mass spectrometry (DART-HRMS) to longitudinally scan intact locks of hair without extensive sample preparation or segmentation. The hair scan method was validated for cocaine against an accredited liquid chromatography/tandem mass spectrometry (LC/MS/MS) method. The detection limit for cocaine in hair was found to comply with the cutoff value of 0.5 ng/mg recommended by the Society of Hair Testing; that is, the DART hair scan method is amenable to forensic cases. Under DART conditions, no significant thermal degradation of cocaine occurred. The standard DART spot size of 5.1 ± 1.1 mm could be improved to 3.3 ± 1.0 mm, corresponding to approximately 10 days of hair growth, by using a high spatial resolution exit cone. By use of data-dependent product ion scans, multiple drugs of abuse could be detected in a single drug user hair scan with confirmation of identity by both exact mass and MS/HRMS fragmentation patterns. Furthermore, full-scan high-resolution data were retrospectively interrogated versus a list of more than 100 compounds and revealed additional hits and temporal profiles in good correlation with reported drug use.},\n\tlanguage = {en},\n\tnumber = {4},\n\turldate = {2016-03-22},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Duvivier, Wilco F. and van Putten, Marc R. and van Beek, Teris A. and Nielen, Michel W. F.},\n\tmonth = feb,\n\tyear = {2016},\n\tpages = {2489--2496},\n}\n\n\n\n
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\n Forensic hair evidence can be used to obtain retrospective timelines of drug use by analysis of hair segments. However, this is a laborious and time-consuming process, and mass spectrometric (MS) imaging techniques, which show great potential for single-hair targeted analysis, are less useful due to differences in hair growth rate between individual hairs. As an alternative, a fast untargeted analysis method was developed that uses direct analysis in real time-high-resolution mass spectrometry (DART-HRMS) to longitudinally scan intact locks of hair without extensive sample preparation or segmentation. The hair scan method was validated for cocaine against an accredited liquid chromatography/tandem mass spectrometry (LC/MS/MS) method. The detection limit for cocaine in hair was found to comply with the cutoff value of 0.5 ng/mg recommended by the Society of Hair Testing; that is, the DART hair scan method is amenable to forensic cases. Under DART conditions, no significant thermal degradation of cocaine occurred. The standard DART spot size of 5.1 ± 1.1 mm could be improved to 3.3 ± 1.0 mm, corresponding to approximately 10 days of hair growth, by using a high spatial resolution exit cone. By use of data-dependent product ion scans, multiple drugs of abuse could be detected in a single drug user hair scan with confirmation of identity by both exact mass and MS/HRMS fragmentation patterns. Furthermore, full-scan high-resolution data were retrospectively interrogated versus a list of more than 100 compounds and revealed additional hits and temporal profiles in good correlation with reported drug use.\n
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\n \n\n \n \n \n \n \n \n Improved desorption/ionization and ion transmission in surface scanning by direct analysis in real time mass spectrometry: Improved HPTLC/DART-MS surface analysis.\n \n \n \n \n\n\n \n Häbe, T. T.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 30(2): 321–332. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ImprovedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{habe_improved_2016,\n\ttitle = {Improved desorption/ionization and ion transmission in surface scanning by direct analysis in real time mass spectrometry: {Improved} {HPTLC}/{DART}-{MS} surface analysis},\n\tvolume = {30},\n\tissn = {09514198},\n\tshorttitle = {Improved desorption/ionization and ion transmission in surface scanning by direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7434},\n\tdoi = {10.1002/rcm.7434},\n\tabstract = {Rationale Modifications to the Direct Analysis in Real Time mass spectrometry (DART-MS) interface, its source cap and transfer tube were necessary to obtain highest efficiency in desorption and ionization from the sampling surface and in ion transmission into the MS system. These issues are crucial for the trace analysis of any surface and the hyphenation of high-performance thin-layer chromatography (HPTLC) with DART-MS. Methods The ion source mounting was modified to enable short source caps to be utilized in combination with a short transfer tube. The grid voltage contact section was readjusted to increase the intensity of the metastable gas stream towards the substrate. Eighteen different cap and two transfer tube geometries (including gas-stream focusing), along with the influence of their distance from the mass spectrometer glass capillary, were investigated for best signal intensity. Results Using shortened source caps with staged inner bore, a transfer tube with gas-stream focusing and an optimized mounting geometry for DART-MS scanning along five identical deposited bands (600 ng each) of butyl 4-hydroxybenzoate, an average signal precision of 3.6\\% was obtained and the signal intensity was increased by a factor of 34. The width of the gas impact area did not exceed 1.5 mm and the smallest FWHM was determined to be 0.9 mm. Conclusions The desorption strength, ionization efficacy and ion transmission were improved significantly giving increased detectability using this further modified DART-MS interface with reduced cap length and optimum transfer tube geometry. The resolution was comparable with state-of-the-art densitometry. With this setup, reliable HPTLC surface scanning is possible, even for substance amounts in the low-nanogram range.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-01-29},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Häbe, Tim T. and Morlock, Gertrud E.},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {321--332},\n}\n\n\n\n
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\n\n\n
\n Rationale Modifications to the Direct Analysis in Real Time mass spectrometry (DART-MS) interface, its source cap and transfer tube were necessary to obtain highest efficiency in desorption and ionization from the sampling surface and in ion transmission into the MS system. These issues are crucial for the trace analysis of any surface and the hyphenation of high-performance thin-layer chromatography (HPTLC) with DART-MS. Methods The ion source mounting was modified to enable short source caps to be utilized in combination with a short transfer tube. The grid voltage contact section was readjusted to increase the intensity of the metastable gas stream towards the substrate. Eighteen different cap and two transfer tube geometries (including gas-stream focusing), along with the influence of their distance from the mass spectrometer glass capillary, were investigated for best signal intensity. Results Using shortened source caps with staged inner bore, a transfer tube with gas-stream focusing and an optimized mounting geometry for DART-MS scanning along five identical deposited bands (600 ng each) of butyl 4-hydroxybenzoate, an average signal precision of 3.6% was obtained and the signal intensity was increased by a factor of 34. The width of the gas impact area did not exceed 1.5 mm and the smallest FWHM was determined to be 0.9 mm. Conclusions The desorption strength, ionization efficacy and ion transmission were improved significantly giving increased detectability using this further modified DART-MS interface with reduced cap length and optimum transfer tube geometry. The resolution was comparable with state-of-the-art densitometry. With this setup, reliable HPTLC surface scanning is possible, even for substance amounts in the low-nanogram range.\n
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\n \n\n \n \n \n \n \n \n Characterization of Printing Inks Using DART-Q-TOF-MS and Attenuated Total Reflectance (ATR) FTIR.\n \n \n \n \n\n\n \n Williamson, R.; Raeva, A.; and Almirall, J. R.\n\n\n \n\n\n\n Journal of Forensic Sciences, 61(3): 706–714. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{williamson_characterization_2016,\n\ttitle = {Characterization of {Printing} {Inks} {Using} {DART}-{Q}-{TOF}-{MS} and {Attenuated} {Total} {Reflectance} ({ATR}) {FTIR}},\n\tvolume = {61},\n\tissn = {00221198},\n\turl = {http://doi.wiley.com/10.1111/1556-4029.13107},\n\tdoi = {10.1111/1556-4029.13107},\n\tabstract = {The rise in improved and widely accessible printing technology has resulted in an interest to develop rapid and minimally destructive chemical analytical techniques that can characterize printing inks for forensic document analysis. Chemical characterization of printing inks allows for both discrimination of inks originating from different sources and the association of inks originating from the same source. Direct analysis in real-time mass spectrometry (DART-MS) and attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) were used in tandem to analyze four different classes of printing inks: inkjets, toners, offset, and intaglio. A total of 319 samples or {\\textasciitilde} 80 samples from each class were analyzed directly on a paper substrate using the two methods. DART-MS was found to characterize the semi-volatile polymeric vehicle components, while ATR-FTIR provided chemical information associated with the bulk components of these inks. Complimentary data results in improved discrimination when both techniques are used in succession resulting in {\\textgreater}96\\% discrimination for all toners, 95\\% for all inkjets, {\\textgreater}92\\% for all offset, and {\\textgreater}54\\% for all intaglio inks.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-06-01},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Williamson, Rhett and Raeva, Anna and Almirall, Jose R.},\n\tmonth = may,\n\tyear = {2016},\n\tpages = {706--714},\n}\n\n\n\n
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\n The rise in improved and widely accessible printing technology has resulted in an interest to develop rapid and minimally destructive chemical analytical techniques that can characterize printing inks for forensic document analysis. Chemical characterization of printing inks allows for both discrimination of inks originating from different sources and the association of inks originating from the same source. Direct analysis in real-time mass spectrometry (DART-MS) and attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) were used in tandem to analyze four different classes of printing inks: inkjets, toners, offset, and intaglio. A total of 319 samples or ~ 80 samples from each class were analyzed directly on a paper substrate using the two methods. DART-MS was found to characterize the semi-volatile polymeric vehicle components, while ATR-FTIR provided chemical information associated with the bulk components of these inks. Complimentary data results in improved discrimination when both techniques are used in succession resulting in \\textgreater96% discrimination for all toners, 95% for all inkjets, \\textgreater92% for all offset, and \\textgreater54% for all intaglio inks.\n
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\n \n\n \n \n \n \n \n \n Humidity Effects on Fragmentation in Plasma-Based Ambient Ionization Sources.\n \n \n \n \n\n\n \n Newsome, G. A.; Ackerman, L. K.; and Johnson, K. J.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 27(1): 135–143. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"HumidityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{newsome_humidity_2016,\n\ttitle = {Humidity {Effects} on {Fragmentation} in {Plasma}-{Based} {Ambient} {Ionization} {Sources}},\n\tvolume = {27},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-015-1259-y},\n\tdoi = {10.1007/s13361-015-1259-y},\n\tabstract = {Post-plasma ambient desorption/ionization (ADI) sources are fundamentally dependent on surrounding water vapor to produce protonated analyte ions. There are two reports of humidity effects on ADI spectra. However, it is unclear whether humidity will affect all ADI sources and analytes, and by what mechanism humidity affects spectra. Flowing atmospheric pressure afterglow (FAPA) ionization and direct analysis in real time (DART) mass spectra of various surface-deposited and gas-phase analytes were acquired at ambient temperature and pressure across a range of observed humidity values. A controlled humidity enclosure around the ion source and mass spectrometer inlet was used to create programmed humidity and temperatures. The relative abundance and fragmentation of molecular adduct ions for several compounds consistently varied with changing ambient humidity and also were controlled with the humidity enclosure. For several compounds, increasing humidity decreased protonated molecule and other molecular adduct ion fragmentation in both FAPA and DART spectra. For others, humidity increased fragment ion ratios. The effects of humidity on molecular adduct ion fragmentation were caused by changes in the relative abundances of different reagent protonated water clusters and, thus, a change in the average difference in proton affinity between an analyte and the population of water clusters. Control of humidity in ambient post-plasma ion sources is needed to create spectral stability and reproducibility.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-29},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Newsome, G. Asher and Ackerman, Luke K. and Johnson, Kevin J.},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {135--143},\n}\n\n\n\n
\n
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\n Post-plasma ambient desorption/ionization (ADI) sources are fundamentally dependent on surrounding water vapor to produce protonated analyte ions. There are two reports of humidity effects on ADI spectra. However, it is unclear whether humidity will affect all ADI sources and analytes, and by what mechanism humidity affects spectra. Flowing atmospheric pressure afterglow (FAPA) ionization and direct analysis in real time (DART) mass spectra of various surface-deposited and gas-phase analytes were acquired at ambient temperature and pressure across a range of observed humidity values. A controlled humidity enclosure around the ion source and mass spectrometer inlet was used to create programmed humidity and temperatures. The relative abundance and fragmentation of molecular adduct ions for several compounds consistently varied with changing ambient humidity and also were controlled with the humidity enclosure. For several compounds, increasing humidity decreased protonated molecule and other molecular adduct ion fragmentation in both FAPA and DART spectra. For others, humidity increased fragment ion ratios. The effects of humidity on molecular adduct ion fragmentation were caused by changes in the relative abundances of different reagent protonated water clusters and, thus, a change in the average difference in proton affinity between an analyte and the population of water clusters. Control of humidity in ambient post-plasma ion sources is needed to create spectral stability and reproducibility.\n
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\n \n\n \n \n \n \n \n \n Detection of Low Molecular Weight Adulterants in Beverages by Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Sisco, E.; and Dake, J. H\n\n\n \n\n\n\n Anal. Methods. 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sisco_detection_2016,\n\ttitle = {Detection of {Low} {Molecular} {Weight} {Adulterants} in {Beverages} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://pubs.rsc.org/en/Content/ArticleLanding/2016/AY/C6AY00292G},\n\tdoi = {10.1039/C6AY00292G},\n\tabstract = {Direct Analysis in Real Time Mass Spectrometry (DART-MS) has been used to detect the presence of non-narcotic adulterants in beverages. The non-narcotic adulterants that were examined in this work incorporated a number low molecular weight alcohols, acetone, ammonium hydroxide, and sodium hypochlorite. Analysis of the adulterants was completed by pipetting 1 µL deposits onto glass microcapillaries along with an appropriate dopant species followed by introduction into the DART gas stream. It was found that detection of these compounds in the complex matrices of common beverages (soda, energy drinks, etc.) was simplified through the use of a dopant species to allow for adduct formation with the desired compound(s) of interest. Other parameters that were investigated included DART gas stream temperature, in source collision induced dissociation, ion polarity, and DART needle voltage. Sensitivities of the technique were found to range from 0.001 \\% volume fraction to 0.1 \\% volume fraction, comparable to traditional analyses completed using headspace gas chromatography mass spectrometry (HS-GC/MS). Once a method was established using aqueous solutions, , fifteen beverages were spiked with each of the nine adulterants, to simulate real world detection, and in nearly all cases the adulterant could be detected either in pure form, or complexed with the added dopant species. This technique provides a rapid way to directly analyze beverages believed to be contaminated with non-narcotic adulterants at sensitivities similar to or exceeding those of traditional confirmatory analyses.},\n\tlanguage = {en},\n\turldate = {2016-03-22},\n\tjournal = {Anal. Methods},\n\tauthor = {Sisco, Edward and Dake, Jeffrey H},\n\tyear = {2016},\n}\n\n\n\n
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\n Direct Analysis in Real Time Mass Spectrometry (DART-MS) has been used to detect the presence of non-narcotic adulterants in beverages. The non-narcotic adulterants that were examined in this work incorporated a number low molecular weight alcohols, acetone, ammonium hydroxide, and sodium hypochlorite. Analysis of the adulterants was completed by pipetting 1 µL deposits onto glass microcapillaries along with an appropriate dopant species followed by introduction into the DART gas stream. It was found that detection of these compounds in the complex matrices of common beverages (soda, energy drinks, etc.) was simplified through the use of a dopant species to allow for adduct formation with the desired compound(s) of interest. Other parameters that were investigated included DART gas stream temperature, in source collision induced dissociation, ion polarity, and DART needle voltage. Sensitivities of the technique were found to range from 0.001 % volume fraction to 0.1 % volume fraction, comparable to traditional analyses completed using headspace gas chromatography mass spectrometry (HS-GC/MS). Once a method was established using aqueous solutions, , fifteen beverages were spiked with each of the nine adulterants, to simulate real world detection, and in nearly all cases the adulterant could be detected either in pure form, or complexed with the added dopant species. This technique provides a rapid way to directly analyze beverages believed to be contaminated with non-narcotic adulterants at sensitivities similar to or exceeding those of traditional confirmatory analyses.\n
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\n \n\n \n \n \n \n \n \n Detection of polydimethylsiloxanes transferred from silicone-coated parchment paper to baked goods using direct analysis in real time mass spectrometry: DART detects silicone on food baked on parchment.\n \n \n \n \n\n\n \n Jakob, A.; Crawford, E. A.; and Gross, J. H.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 51(4): 298–304. April 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jakob_detection_2016,\n\ttitle = {Detection of polydimethylsiloxanes transferred from silicone-coated parchment paper to baked goods using direct analysis in real time mass spectrometry: {DART} detects silicone on food baked on parchment},\n\tvolume = {51},\n\tissn = {10765174},\n\tshorttitle = {Detection of polydimethylsiloxanes transferred from silicone-coated parchment paper to baked goods using direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/jms.3757},\n\tdoi = {10.1002/jms.3757},\n\tabstract = {The non-stick properties of parchment papers are achieved by polydimethylsiloxane (PDMS) coatings. During baking, PDMS can\nthus be extracted from the silicone-coated parchment into the baked goods. Positive-ion direct analysis in real time (DART) mass\nspectrometry (MS) is highly efficient for the analysis of PDMS. A DART-SVP sourcewas coupled to a quadrupole-time-of-flightmass\nspectrometer to detect PDMS on the contact surface of baked goods after use of silicone-coated parchment papers. DART spectra\nfrom the bottom surface of baked cookies and pizzas exhibited signals because of PDMS ions of the general formula\n[(C2H6SiO)n+NH4]+ in the m/z 800–1900 range.},\n\tlanguage = {en},\n\tnumber = {4},\n\turldate = {2016-04-26},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Jakob, Andreas and Crawford, Elizabeth A. and Gross, Jürgen H.},\n\tmonth = apr,\n\tyear = {2016},\n\tpages = {298--304},\n}\n\n\n\n
\n
\n\n\n
\n The non-stick properties of parchment papers are achieved by polydimethylsiloxane (PDMS) coatings. During baking, PDMS can thus be extracted from the silicone-coated parchment into the baked goods. Positive-ion direct analysis in real time (DART) mass spectrometry (MS) is highly efficient for the analysis of PDMS. A DART-SVP sourcewas coupled to a quadrupole-time-of-flightmass spectrometer to detect PDMS on the contact surface of baked goods after use of silicone-coated parchment papers. DART spectra from the bottom surface of baked cookies and pizzas exhibited signals because of PDMS ions of the general formula [(C2H6SiO)n+NH4]+ in the m/z 800–1900 range.\n
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\n \n\n \n \n \n \n \n \n Use of Ambient Ionization High-Resolution Mass Spectrometry for the Kinetic Analysis of Organic Surface Reactions.\n \n \n \n \n\n\n \n Sen, R.; Escorihuela, J.; Smulders, M. M. J.; and Zuilhof, H.\n\n\n \n\n\n\n Langmuir, 32(14): 3412–3419. April 2016.\n \n\n\n\n
\n\n\n\n \n \n \"UsePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sen_use_2016,\n\ttitle = {Use of {Ambient} {Ionization} {High}-{Resolution} {Mass} {Spectrometry} for the {Kinetic} {Analysis} of {Organic} {Surface} {Reactions}},\n\tvolume = {32},\n\tissn = {0743-7463, 1520-5827},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.langmuir.6b00427},\n\tdoi = {10.1021/acs.langmuir.6b00427},\n\tabstract = {In contrast to homogeneous systems, studying the kinetics of organic reactions on solid surfaces remains a difficult task due to the limited availability of appropriate analysis techniques that are general, high-throughput, and capable of offering quantitative, structural surface information. Here, we demonstrate how direct analysis in real time mass spectrometry (DART-MS) complies with above considerations and can be used for determining interfacial kinetic parameters. The presented approach is based on the use of a MS tag that - in principle - allows application to other reactions. To show the potential of DART-MS, we selected the widely applied strain-promoted alkyne-azide cycloaddition (SPAAC) as a model reaction to elucidate the effects of the nanoenvironment on the interfacial reaction rate.},\n\tlanguage = {en},\n\tnumber = {14},\n\turldate = {2016-06-01},\n\tjournal = {Langmuir},\n\tauthor = {Sen, Rickdeb and Escorihuela, Jorge and Smulders, Maarten M. J. and Zuilhof, Han},\n\tmonth = apr,\n\tyear = {2016},\n\tpages = {3412--3419},\n}\n\n\n\n
\n
\n\n\n
\n In contrast to homogeneous systems, studying the kinetics of organic reactions on solid surfaces remains a difficult task due to the limited availability of appropriate analysis techniques that are general, high-throughput, and capable of offering quantitative, structural surface information. Here, we demonstrate how direct analysis in real time mass spectrometry (DART-MS) complies with above considerations and can be used for determining interfacial kinetic parameters. The presented approach is based on the use of a MS tag that - in principle - allows application to other reactions. To show the potential of DART-MS, we selected the widely applied strain-promoted alkyne-azide cycloaddition (SPAAC) as a model reaction to elucidate the effects of the nanoenvironment on the interfacial reaction rate.\n
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\n \n\n \n \n \n \n \n \n Chemometric brand differentiation of commercial spices using direct analysis in real time mass spectrometry: Chemometric differentiation of commercial spices using DART-MS.\n \n \n \n \n\n\n \n Pavlovich, M. J.; Dunn, E. E.; and Hall, A. B.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 30(9): 1123–1130. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ChemometricPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{pavlovich_chemometric_2016,\n\ttitle = {Chemometric brand differentiation of commercial spices using direct analysis in real time mass spectrometry: {Chemometric} differentiation of commercial spices using {DART}-{MS}},\n\tvolume = {30},\n\tissn = {09514198},\n\tshorttitle = {Chemometric brand differentiation of commercial spices using direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7536},\n\tdoi = {10.1002/rcm.7536},\n\tabstract = {Rationale Commercial spices represent an emerging class of fuels for improvised explosives. Being able to classify such spices not only by type but also by brand would represent an important step in developing methods to analytically investigate these explosive compositions. Therefore, a combined ambient mass spectrometric/chemometric approach was developed to quickly and accurately classify commercial spices by brand. Methods Direct analysis in real time mass spectrometry (DART-MS) was used to generate mass spectra for samples of black pepper, cayenne pepper, and turmeric, along with four different brands of cinnamon, all dissolved in methanol. Unsupervised learning techniques showed that the cinnamon samples clustered according to brand. Then, we used supervised machine learning algorithms to build chemometric models with a known training set and classified the brands of an unknown testing set of cinnamon samples. Results Ten independent runs of five-fold cross-validation showed that the training set error for the best-performing models (i.e., the linear discriminant and neural network models) was lower than 2\\%. The false-positive percentages for these models were 3\\% or lower, and the false-negative percentages were lower than 10\\%. In particular, the linear discriminant model perfectly classified the testing set with 0\\% error. Repeated iterations of training and testing gave similar results, demonstrating the reproducibility of these models. Conclusions Chemometric models were able to classify the DART mass spectra of commercial cinnamon samples according to brand, with high specificity and low classification error. This method could easily be generalized to other classes of spices, and it could be applied to authenticating questioned commercial samples of spices or to examining evidence from improvised explosives.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-05-24},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Pavlovich, Matthew J. and Dunn, Emily E. and Hall, Adam B.},\n\tmonth = may,\n\tyear = {2016},\n\tpages = {1123--1130},\n}\n\n\n\n
\n
\n\n\n
\n Rationale Commercial spices represent an emerging class of fuels for improvised explosives. Being able to classify such spices not only by type but also by brand would represent an important step in developing methods to analytically investigate these explosive compositions. Therefore, a combined ambient mass spectrometric/chemometric approach was developed to quickly and accurately classify commercial spices by brand. Methods Direct analysis in real time mass spectrometry (DART-MS) was used to generate mass spectra for samples of black pepper, cayenne pepper, and turmeric, along with four different brands of cinnamon, all dissolved in methanol. Unsupervised learning techniques showed that the cinnamon samples clustered according to brand. Then, we used supervised machine learning algorithms to build chemometric models with a known training set and classified the brands of an unknown testing set of cinnamon samples. Results Ten independent runs of five-fold cross-validation showed that the training set error for the best-performing models (i.e., the linear discriminant and neural network models) was lower than 2%. The false-positive percentages for these models were 3% or lower, and the false-negative percentages were lower than 10%. In particular, the linear discriminant model perfectly classified the testing set with 0% error. Repeated iterations of training and testing gave similar results, demonstrating the reproducibility of these models. Conclusions Chemometric models were able to classify the DART mass spectra of commercial cinnamon samples according to brand, with high specificity and low classification error. This method could easily be generalized to other classes of spices, and it could be applied to authenticating questioned commercial samples of spices or to examining evidence from improvised explosives.\n
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\n \n\n \n \n \n \n \n \n DART – LTQ ORBITRAP as an expedient tool for the identification of synthetic cannabinoids.\n \n \n \n \n\n\n \n Habala, L.; Valentová, J.; Pechová, I.; Fuknová, M.; and Devínsky, F.\n\n\n \n\n\n\n Legal Medicine, 20: 27–31. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{habala_dart_2016,\n\ttitle = {{DART} – {LTQ} {ORBITRAP} as an expedient tool for the identification of synthetic cannabinoids},\n\tvolume = {20},\n\tissn = {13446223},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1344622316300219},\n\tdoi = {10.1016/j.legalmed.2016.03.006},\n\tabstract = {Synthetic cannabinoids as designer drugs constitute a major problem due to their rapid increase in number and the difficulties connected with their identification in complex mixtures. DART (Direct Analysis in Real Time) has emerged as an advantageous tool for the direct and rapid analysis of complex samples by mass spectrometry. Here we report on the identification of six synthetic cannabinoids originating from seized material in various matrices, employing the combination of ambient pressure ion source DART and hybrid ion trap - LTQ ORBITRAP mass spectrometer. This report also describes the sampling techniques for the provided herbal material containing the cannabinoids, either directly as plant parts or as an extract in methanol and their influence on the outcome of the analysis. The high resolution mass spectra supplied by the LTQ ORBITRAP instrument allowed for an unambiguous assignment of target compounds. The utilized instrumental coupling proved to be a convenient way for the identification of synthetic cannabinoids in real-world samples.},\n\tlanguage = {en},\n\turldate = {2016-04-26},\n\tjournal = {Legal Medicine},\n\tauthor = {Habala, Ladislav and Valentová, Jindra and Pechová, Iveta and Fuknová, Mária and Devínsky, Ferdinand},\n\tmonth = may,\n\tyear = {2016},\n\tpages = {27--31},\n}\n\n\n\n
\n
\n\n\n
\n Synthetic cannabinoids as designer drugs constitute a major problem due to their rapid increase in number and the difficulties connected with their identification in complex mixtures. DART (Direct Analysis in Real Time) has emerged as an advantageous tool for the direct and rapid analysis of complex samples by mass spectrometry. Here we report on the identification of six synthetic cannabinoids originating from seized material in various matrices, employing the combination of ambient pressure ion source DART and hybrid ion trap - LTQ ORBITRAP mass spectrometer. This report also describes the sampling techniques for the provided herbal material containing the cannabinoids, either directly as plant parts or as an extract in methanol and their influence on the outcome of the analysis. The high resolution mass spectra supplied by the LTQ ORBITRAP instrument allowed for an unambiguous assignment of target compounds. The utilized instrumental coupling proved to be a convenient way for the identification of synthetic cannabinoids in real-world samples.\n
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\n \n\n \n \n \n \n \n \n Analysis of carbohydrates in Fusarium verticillioides using size-exclusion HPLC – DRI and direct analysis in real time ionization – time-of-flight – mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Roberts, E. S.; Boudreau, B. A.; Brown, D. W.; McQuade, K. L.; and Remsen, E. E.\n\n\n \n\n\n\n Anal. Methods, 8(3): 673–681. 2016.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{roberts_analysis_2016,\n\ttitle = {Analysis of carbohydrates in {Fusarium} verticillioides using size-exclusion {HPLC} – {DRI} and direct analysis in real time ionization – time-of-flight – mass spectrometry ({DART}-{MS})},\n\tvolume = {8},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C5AY01666E},\n\tdoi = {10.1039/C5AY01666E},\n\tabstract = {Direct analysis in real time ionization-time-of-flight-mass spectrometry (DART-MS) and size-exclusion HPLC-DRI are used, respectively, to qualitatively and quantitatively determine the carbohydrates extracted from the corn rot fungus Fusarium verticillioides. In situ permethylation in the DART beam forms tri-methylammonium adducts of the carbohydrates, which enables positive ion MS detection and analysis of these compounds in either whole fungal extracts or size-exclusion separated HPLC fractions of the extracts. This method detects the disaccharide trehalose at concentrations greater than 3.0 ppm. Additionally, this procedure allows for analysis of glucose as well as the sugar alcohols mannitol, arabitol, and glycerol. The reliability of the DART-MS method is confirmed by the absence of trehalose in a mutant strain of F. verticillioides lacking the gene for trehalose-6-phosphate synthase. The capabilities demonstrated here suggest that the DART-MS method, in conjunction with size-exclusion HPLC, is an effective approach for the analysis of saccharide biomarkers in fungi.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-29},\n\tjournal = {Anal. Methods},\n\tauthor = {Roberts, Ethan S. and Boudreau, Beth A. and Brown, Daren W. and McQuade, Kristi L. and Remsen, Edward E.},\n\tyear = {2016},\n\tpages = {673--681},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time ionization-time-of-flight-mass spectrometry (DART-MS) and size-exclusion HPLC-DRI are used, respectively, to qualitatively and quantitatively determine the carbohydrates extracted from the corn rot fungus Fusarium verticillioides. In situ permethylation in the DART beam forms tri-methylammonium adducts of the carbohydrates, which enables positive ion MS detection and analysis of these compounds in either whole fungal extracts or size-exclusion separated HPLC fractions of the extracts. This method detects the disaccharide trehalose at concentrations greater than 3.0 ppm. Additionally, this procedure allows for analysis of glucose as well as the sugar alcohols mannitol, arabitol, and glycerol. The reliability of the DART-MS method is confirmed by the absence of trehalose in a mutant strain of F. verticillioides lacking the gene for trehalose-6-phosphate synthase. The capabilities demonstrated here suggest that the DART-MS method, in conjunction with size-exclusion HPLC, is an effective approach for the analysis of saccharide biomarkers in fungi.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry of potential by-products from homemade nitrate ester explosive synthesis.\n \n \n \n \n\n\n \n Sisco, E.; and Forbes, T. P.\n\n\n \n\n\n\n Talanta, 150: 177–183. April 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sisco_direct_2016,\n\ttitle = {Direct analysis in real time mass spectrometry of potential by-products from homemade nitrate ester explosive synthesis},\n\tvolume = {150},\n\tissn = {00399140},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0039914015305385},\n\tdoi = {10.1016/j.talanta.2015.12.013},\n\tabstract = {This work demonstrates the coupling of direct analysis in real time (DART) ionization with time-of-flight mass spectrometry (MS) in an off-axis configuration for the trace detection and analysis of potential partially nitrated and dimerized by-products of homemade nitrate ester explosive synthesis. Five compounds relating to the synthesis of nitroglycerin (NG) and pentaerythritol tetranitrate (PETN) were examined. Deprotonated ions and adducts with molecular oxygen, nitrite, and nitrate were observed in the mass spectral responses of these compounds. A global optimum temperature of 350 °C for the by-products investigated here enabled single nanogram to sub nanogram trace detection. Matrix effects were examined through a series of mixtures containing one or more compounds (sugar alcohol precursors, by-products, and/or explosives) across a range of mass loadings. The explosives MS responses experienced competitive ionization in the presence of all by-products. The magnitude of this influence corresponded to both the degree of by-product nitration and the relative mass loading of the by-product to the explosive. This work provides a characterization of potential by-products from homemade nitrate ester synthesis, including matrix effects and potential challenges that might arise from the trace detection of homemade explosives (HMEs) containing impurities. Detection and understanding of HME impurities and complex mixtures may provide valuable information for the screening and sourcing of homemade nitrate ester explosives.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Talanta},\n\tauthor = {Sisco, Edward and Forbes, Thomas P.},\n\tmonth = apr,\n\tyear = {2016},\n\tpages = {177--183},\n}\n\n\n\n
\n
\n\n\n
\n This work demonstrates the coupling of direct analysis in real time (DART) ionization with time-of-flight mass spectrometry (MS) in an off-axis configuration for the trace detection and analysis of potential partially nitrated and dimerized by-products of homemade nitrate ester explosive synthesis. Five compounds relating to the synthesis of nitroglycerin (NG) and pentaerythritol tetranitrate (PETN) were examined. Deprotonated ions and adducts with molecular oxygen, nitrite, and nitrate were observed in the mass spectral responses of these compounds. A global optimum temperature of 350 °C for the by-products investigated here enabled single nanogram to sub nanogram trace detection. Matrix effects were examined through a series of mixtures containing one or more compounds (sugar alcohol precursors, by-products, and/or explosives) across a range of mass loadings. The explosives MS responses experienced competitive ionization in the presence of all by-products. The magnitude of this influence corresponded to both the degree of by-product nitration and the relative mass loading of the by-product to the explosive. This work provides a characterization of potential by-products from homemade nitrate ester synthesis, including matrix effects and potential challenges that might arise from the trace detection of homemade explosives (HMEs) containing impurities. Detection and understanding of HME impurities and complex mixtures may provide valuable information for the screening and sourcing of homemade nitrate ester explosives.\n
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\n \n\n \n \n \n \n \n \n Quantitation of Acrylamide in Foods by High-Resolution Mass Spectrometry.\n \n \n \n \n\n\n \n Troise, A. D.; and Fogliano, V.\n\n\n \n\n\n\n In Acrylamide in Food, pages 481–495. Elsevier, 2016.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{troise_quantitation_2016,\n\ttitle = {Quantitation of {Acrylamide} in {Foods} by {High}-{Resolution} {Mass} {Spectrometry}},\n\tisbn = {978-0-12-802832-2},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/B9780128028322000255},\n\tabstract = {The use of liquid chromatography high–resolution mass spectrometry (LC–HRMS) and direct analysis real-time high-resolution mass spectrometry (DART–HRMS) defines a new scenario in the analysis of thermal-induced toxicants, such as acrylamide. Several factors contribute to the definition of the complex network related to the acrylamide detection—high polarity, low molecular weight, and matrix effects. In this respect, LC–HRMS offers some advantages such as high reproducibility, low relative standard deviation, and high mass accuracy. In addition, DART approach is able to combine chemometric tools and analytical chemistry. A general overview on the pros and cons related to acrylamide detection by HRMS is provided focusing on the relationship between predictive, indirect, and targeted analysis. Both techniques are compared with the golden standards for acrylamide detection to get more insights into the proper analytical strategy for its quantification.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tbooktitle = {Acrylamide in {Food}},\n\tpublisher = {Elsevier},\n\tauthor = {Troise, Antonio D. and Fogliano, Vincenzo},\n\tyear = {2016},\n\tpages = {481--495},\n}\n\n\n\n
\n
\n\n\n
\n The use of liquid chromatography high–resolution mass spectrometry (LC–HRMS) and direct analysis real-time high-resolution mass spectrometry (DART–HRMS) defines a new scenario in the analysis of thermal-induced toxicants, such as acrylamide. Several factors contribute to the definition of the complex network related to the acrylamide detection—high polarity, low molecular weight, and matrix effects. In this respect, LC–HRMS offers some advantages such as high reproducibility, low relative standard deviation, and high mass accuracy. In addition, DART approach is able to combine chemometric tools and analytical chemistry. A general overview on the pros and cons related to acrylamide detection by HRMS is provided focusing on the relationship between predictive, indirect, and targeted analysis. Both techniques are compared with the golden standards for acrylamide detection to get more insights into the proper analytical strategy for its quantification.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time high resolution mass spectrometry as a tool for rapid characterization of mind-altering plant materials and revelation of supplement adulteration – The case of Kanna.\n \n \n \n \n\n\n \n Lesiak, A. D.; Cody, R. B.; Ubukata, M.; and Musah, R. A.\n\n\n \n\n\n\n Forensic Science International, 260: 66–73. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_direct_2016,\n\ttitle = {Direct analysis in real time high resolution mass spectrometry as a tool for rapid characterization of mind-altering plant materials and revelation of supplement adulteration – {The} case of {Kanna}},\n\tvolume = {260},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073815005381},\n\tdoi = {10.1016/j.forsciint.2015.12.037},\n\tlanguage = {en},\n\turldate = {2016-03-22},\n\tjournal = {Forensic Science International},\n\tauthor = {Lesiak, Ashton D. and Cody, Robert B. and Ubukata, Masaaki and Musah, Rabi A.},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {66--73},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n More than just heat: ambient ionization mass spectrometry for determination of the species of origin of processed commercial products—application to psychoactive pepper supplements.\n \n \n \n \n\n\n \n Lesiak, A. D.; and Musah, R. A.\n\n\n \n\n\n\n Anal. Methods, 8(7): 1646–1658. 2016.\n \n\n\n\n
\n\n\n\n \n \n \"MorePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_more_2016,\n\ttitle = {More than just heat: ambient ionization mass spectrometry for determination of the species of origin of processed commercial products—application to psychoactive pepper supplements},\n\tvolume = {8},\n\tissn = {1759-9660, 1759-9679},\n\tshorttitle = {More than just heat},\n\turl = {http://xlink.rsc.org/?DOI=C5AY02570B},\n\tdoi = {10.1039/C5AY02570B},\n\tlanguage = {en},\n\tnumber = {7},\n\turldate = {2016-03-22},\n\tjournal = {Anal. Methods},\n\tauthor = {Lesiak, Ashton D. and Musah, Rabi A.},\n\tyear = {2016},\n\tpages = {1646--1658},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid Identification of Synthetic Cannabinoids in Herbal Incenses with DART-MS and NMR.\n \n \n \n \n\n\n \n Marino, M. A.; Voyer, B.; Cody, R. B.; Dane, A. J.; Veltri, M.; and Huang, L.\n\n\n \n\n\n\n Journal of Forensic Sciences, 61: S82–S91. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{marino_rapid_2016,\n\ttitle = {Rapid {Identification} of {Synthetic} {Cannabinoids} in {Herbal} {Incenses} with {DART}-{MS} and {NMR}},\n\tvolume = {61},\n\tissn = {00221198},\n\turl = {http://doi.wiley.com/10.1111/1556-4029.12932},\n\tdoi = {10.1111/1556-4029.12932},\n\tabstract = {The usage of herbal incenses containing synthetic cannabinoids has caused an increase in medical incidents and triggered legislations to ban these products throughout the world. Law enforcement agencies are experiencing sample backlogs due to the variety of the products and the addition of new and still-legal compounds. In our study, proton nuclear magnetic resonance (NMR) spectroscopy was employed to promptly screen the synthetic cannabinoids after their rapid, direct detection on the herbs and in the powders by direct analysis in real time mass spectrometry (DART-MS). A simple sample preparation protocol was employed on 50 mg of herbal sample matrices for quick NMR detection. Ten synthetic cannabinoids were discovered in fifteen herbal incenses. The combined DART-MS and NMR methods can be used to quickly screen synthetic cannabinoids in powder and herbal samples, serving as a complementary approach to conventional GC-MS or LC-MS methods.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Marino, Michael A. and Voyer, Brandy and Cody, Robert B. and Dane, A. John and Veltri, Mercurio and Huang, Ling},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {S82--S91},\n}\n\n\n\n
\n
\n\n\n
\n The usage of herbal incenses containing synthetic cannabinoids has caused an increase in medical incidents and triggered legislations to ban these products throughout the world. Law enforcement agencies are experiencing sample backlogs due to the variety of the products and the addition of new and still-legal compounds. In our study, proton nuclear magnetic resonance (NMR) spectroscopy was employed to promptly screen the synthetic cannabinoids after their rapid, direct detection on the herbs and in the powders by direct analysis in real time mass spectrometry (DART-MS). A simple sample preparation protocol was employed on 50 mg of herbal sample matrices for quick NMR detection. Ten synthetic cannabinoids were discovered in fifteen herbal incenses. The combined DART-MS and NMR methods can be used to quickly screen synthetic cannabinoids in powder and herbal samples, serving as a complementary approach to conventional GC-MS or LC-MS methods.\n
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\n \n\n \n \n \n \n \n \n Novel determination of caffeine in human urine by direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Song, Y.; Chen, L.; Liu, C. C.; Zha, C.; and Wang, B.\n\n\n \n\n\n\n Instrumentation Science & Technology, 44(2): 172–180. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"NovelPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{song_novel_2016,\n\ttitle = {Novel determination of caffeine in human urine by direct analysis in real time mass spectrometry},\n\tvolume = {44},\n\tissn = {1073-9149, 1525-6030},\n\turl = {http://www.tandfonline.com/doi/full/10.1080/10739149.2015.1077340},\n\tdoi = {10.1080/10739149.2015.1077340},\n\tabstract = {Determination of caffeine is necessary for clinical research. A new method for the determination of caffeine in human urine was established by direct analysis in real time mass spectrometry using multiple reaction monitoring. The m/z 195.1 to 138.1 amu transition was employed in positive ionization mode. The preparation and analysis conditions were systemically optimized. The calibration curve was linear from 0.5-50 μg/mL with a limit of detection limit of 0.2 μg/mL. Intra-day and inter-day accuracy and precision were within the acceptable limits of ±15\\% at all concentrations. Moreover, the matrix effects for the determination of caffeine were evaluated. In conclusion, a simple, rapid, and reliable method without complex sample preparation and chromatographic separation was developed and validated for the determination of caffeine in human urine.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-03-22},\n\tjournal = {Instrumentation Science \\& Technology},\n\tauthor = {Song, Yu-qiao and Chen, Li and Liu, Charles C. and Zha, Cheng and Wang, Bin},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {172--180},\n}\n\n\n\n
\n
\n\n\n
\n Determination of caffeine is necessary for clinical research. A new method for the determination of caffeine in human urine was established by direct analysis in real time mass spectrometry using multiple reaction monitoring. The m/z 195.1 to 138.1 amu transition was employed in positive ionization mode. The preparation and analysis conditions were systemically optimized. The calibration curve was linear from 0.5-50 μg/mL with a limit of detection limit of 0.2 μg/mL. Intra-day and inter-day accuracy and precision were within the acceptable limits of ±15% at all concentrations. Moreover, the matrix effects for the determination of caffeine were evaluated. In conclusion, a simple, rapid, and reliable method without complex sample preparation and chromatographic separation was developed and validated for the determination of caffeine in human urine.\n
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\n \n\n \n \n \n \n \n \n Effects of ion source operating parameters on direct analysis in real time of 18 active components from traditional Chinese medicine.\n \n \n \n \n\n\n \n Wang, L.; Zeng, S.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 121: 30–38. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"EffectsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_effects_2016,\n\ttitle = {Effects of ion source operating parameters on direct analysis in real time of 18 active components from traditional {Chinese} medicine},\n\tvolume = {121},\n\tissn = {07317085},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0731708516300012},\n\tdoi = {10.1016/j.jpba.2016.01.001},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) provides a new analytical method for traditional Chinese medicine (TCM). The present study investigated the effects of key ion source operating parameters on DART-MS analysis of various TCM active components. A total of 18 active components, including phenylpropanoids, alkaloids, saponins, flavones, volatile oils, and glycosides, were examined. For each substance, the peak area and signal-to-noise of its characteristic ions under different reagent gases and heater temperatures were compared. Based on the comparison, the relationships among chemical structures, ion source parameters and instrument responses were revealed. Finally, some suggestions about choosing reagent gas and heater temperature were proposed for types of TCM active substance, which offered a reference for the application of DART-MS on TCM analysis.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Wang, Lu and Zeng, Shanshan and Qu, Haibin},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {30--38},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) provides a new analytical method for traditional Chinese medicine (TCM). The present study investigated the effects of key ion source operating parameters on DART-MS analysis of various TCM active components. A total of 18 active components, including phenylpropanoids, alkaloids, saponins, flavones, volatile oils, and glycosides, were examined. For each substance, the peak area and signal-to-noise of its characteristic ions under different reagent gases and heater temperatures were compared. Based on the comparison, the relationships among chemical structures, ion source parameters and instrument responses were revealed. Finally, some suggestions about choosing reagent gas and heater temperature were proposed for types of TCM active substance, which offered a reference for the application of DART-MS on TCM analysis.\n
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\n \n\n \n \n \n \n \n \n Rapid Oxidation of Skin Oil by Ozone.\n \n \n \n \n\n\n \n Zhou, S.; Forbes, M. W.; Katrib, Y.; and Abbatt, J. P. D.\n\n\n \n\n\n\n Environmental Science & Technology Letters, 3(4): 170–174. April 2016.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhou_rapid_2016,\n\ttitle = {Rapid {Oxidation} of {Skin} {Oil} by {Ozone}},\n\tvolume = {3},\n\tissn = {2328-8930, 2328-8930},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.estlett.6b00086},\n\tdoi = {10.1021/acs.estlett.6b00086},\n\tabstract = {The reaction of gas-phase ozone with human skin oil has been studied at room temperature. Skin oil was exposed to ozone at mixing ratios similar to those in the ambient environment and then analyzed for condensed-phase products using direct analysis in real time mass spectrometry (DART-MS). Prior to ozone exposure, skin oil gives rise to prominent mass spectral signals indicative of highly unsaturated alkenes, sterols, triglycerides, long-chain fatty acids, pyroglutamic acid, and probably waxy esters. Upon oxidation with 50 ppb ozone for 90 min, there is a rapid loss of alkene, fatty acid, and triglyceride signals resulting from efficient multiphase ozonolysis. Oxygenated products, including a variety of carboxylic acids, are identified via studies with pure compounds present in skin oil, i.e., squalene, cholesterol, and triolein. The chemistry is rapid, occurring on time scales of tens of minutes, implying that these highly oxygenated reaction products are always present on human skin both indoors and outdoors.},\n\tlanguage = {en},\n\tnumber = {4},\n\turldate = {2016-06-01},\n\tjournal = {Environmental Science \\& Technology Letters},\n\tauthor = {Zhou, Shouming and Forbes, Matthew W. and Katrib, Yasmine and Abbatt, Jonathan P. D.},\n\tmonth = apr,\n\tyear = {2016},\n\tpages = {170--174},\n}\n\n\n\n
\n
\n\n\n
\n The reaction of gas-phase ozone with human skin oil has been studied at room temperature. Skin oil was exposed to ozone at mixing ratios similar to those in the ambient environment and then analyzed for condensed-phase products using direct analysis in real time mass spectrometry (DART-MS). Prior to ozone exposure, skin oil gives rise to prominent mass spectral signals indicative of highly unsaturated alkenes, sterols, triglycerides, long-chain fatty acids, pyroglutamic acid, and probably waxy esters. Upon oxidation with 50 ppb ozone for 90 min, there is a rapid loss of alkene, fatty acid, and triglyceride signals resulting from efficient multiphase ozonolysis. Oxygenated products, including a variety of carboxylic acids, are identified via studies with pure compounds present in skin oil, i.e., squalene, cholesterol, and triolein. The chemistry is rapid, occurring on time scales of tens of minutes, implying that these highly oxygenated reaction products are always present on human skin both indoors and outdoors.\n
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\n \n\n \n \n \n \n \n \n Quantitation of Acrylamide in Foods by High-Resolution Mass Spectrometry.\n \n \n \n \n\n\n \n Troise, A. D.; and Fogliano, V.\n\n\n \n\n\n\n In Acrylamide in Food, pages 481–495. Elsevier, 2016.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{troise_quantitation_2016,\n\ttitle = {Quantitation of {Acrylamide} in {Foods} by {High}-{Resolution} {Mass} {Spectrometry}},\n\tisbn = {978-0-12-802832-2},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/B9780128028322000255},\n\tabstract = {The use of liquid chromatography high–resolution mass spectrometry (LC–HRMS) and direct analysis real-time high-resolution mass spectrometry (DART–HRMS) defines a new scenario in the analysis of thermal-induced toxicants, such as acrylamide. Several factors contribute to the definition of the complex network related to the acrylamide detection—high polarity, low molecular weight, and matrix effects. In this respect, LC–HRMS offers some advantages such as high reproducibility, low relative standard deviation, and high mass accuracy. In addition, DART approach is able to combine chemometric tools and analytical chemistry. A general overview on the pros and cons related to acrylamide detection by HRMS is provided focusing on the relationship between predictive, indirect, and targeted analysis. Both techniques are compared with the golden standards for acrylamide detection to get more insights into the proper analytical strategy for its quantification.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tbooktitle = {Acrylamide in {Food}},\n\tpublisher = {Elsevier},\n\tauthor = {Troise, Antonio D. and Fogliano, Vincenzo},\n\tyear = {2016},\n\tpages = {481--495},\n}\n\n\n\n
\n
\n\n\n
\n The use of liquid chromatography high–resolution mass spectrometry (LC–HRMS) and direct analysis real-time high-resolution mass spectrometry (DART–HRMS) defines a new scenario in the analysis of thermal-induced toxicants, such as acrylamide. Several factors contribute to the definition of the complex network related to the acrylamide detection—high polarity, low molecular weight, and matrix effects. In this respect, LC–HRMS offers some advantages such as high reproducibility, low relative standard deviation, and high mass accuracy. In addition, DART approach is able to combine chemometric tools and analytical chemistry. A general overview on the pros and cons related to acrylamide detection by HRMS is provided focusing on the relationship between predictive, indirect, and targeted analysis. Both techniques are compared with the golden standards for acrylamide detection to get more insights into the proper analytical strategy for its quantification.\n
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\n \n\n \n \n \n \n \n \n Analytical Strategies for Doping Control Purposes: Needs, Challenges, and Perspectives.\n \n \n \n \n\n\n \n Nicoli, R.; Guillarme, D.; Leuenberger, N.; Baume, N.; Robinson, N.; Saugy, M.; and Veuthey, J.\n\n\n \n\n\n\n Analytical Chemistry, 88(1): 508–523. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"AnalyticalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{nicoli_analytical_2016,\n\ttitle = {Analytical {Strategies} for {Doping} {Control} {Purposes}: {Needs}, {Challenges}, and {Perspectives}},\n\tvolume = {88},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Analytical {Strategies} for {Doping} {Control} {Purposes}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.analchem.5b03994},\n\tdoi = {10.1021/acs.analchem.5b03994},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nicoli, Raul and Guillarme, Davy and Leuenberger, Nicolas and Baume, Norbert and Robinson, Neil and Saugy, Martial and Veuthey, Jean-Luc},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {508--523},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid Identification of Synthetic Cannabinoids in Herbal Incenses with DART-MS and NMR.\n \n \n \n \n\n\n \n Marino, M. A.; Voyer, B.; Cody, R. B.; Dane, A. J.; Veltri, M.; and Huang, L.\n\n\n \n\n\n\n Journal of Forensic Sciences, 61: S82–S91. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{marino_rapid_2016,\n\ttitle = {Rapid {Identification} of {Synthetic} {Cannabinoids} in {Herbal} {Incenses} with {DART}-{MS} and {NMR}},\n\tvolume = {61},\n\tissn = {00221198},\n\turl = {http://doi.wiley.com/10.1111/1556-4029.12932},\n\tdoi = {10.1111/1556-4029.12932},\n\tabstract = {The usage of herbal incenses containing synthetic cannabinoids has caused an increase in medical incidents and triggered legislations to ban these products throughout the world. Law enforcement agencies are experiencing sample backlogs due to the variety of the products and the addition of new and still-legal compounds. In our study, proton nuclear magnetic resonance (NMR) spectroscopy was employed to promptly screen the synthetic cannabinoids after their rapid, direct detection on the herbs and in the powders by direct analysis in real time mass spectrometry (DART-MS). A simple sample preparation protocol was employed on 50 mg of herbal sample matrices for quick NMR detection. Ten synthetic cannabinoids were discovered in fifteen herbal incenses. The combined DART-MS and NMR methods can be used to quickly screen synthetic cannabinoids in powder and herbal samples, serving as a complementary approach to conventional GC-MS or LC-MS methods.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Marino, Michael A. and Voyer, Brandy and Cody, Robert B. and Dane, A. John and Veltri, Mercurio and Huang, Ling},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {S82--S91},\n}\n\n\n\n
\n
\n\n\n
\n The usage of herbal incenses containing synthetic cannabinoids has caused an increase in medical incidents and triggered legislations to ban these products throughout the world. Law enforcement agencies are experiencing sample backlogs due to the variety of the products and the addition of new and still-legal compounds. In our study, proton nuclear magnetic resonance (NMR) spectroscopy was employed to promptly screen the synthetic cannabinoids after their rapid, direct detection on the herbs and in the powders by direct analysis in real time mass spectrometry (DART-MS). A simple sample preparation protocol was employed on 50 mg of herbal sample matrices for quick NMR detection. Ten synthetic cannabinoids were discovered in fifteen herbal incenses. The combined DART-MS and NMR methods can be used to quickly screen synthetic cannabinoids in powder and herbal samples, serving as a complementary approach to conventional GC-MS or LC-MS methods.\n
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\n \n\n \n \n \n \n \n \n Enhancing phytochemical levels, enzymatic and antioxidant activity of spinach leaves by chitosan treatment and an insight into the metabolic pathway using DART-MS technique.\n \n \n \n \n\n\n \n Singh, S.\n\n\n \n\n\n\n Food Chemistry, 199: 176–184. May 2016.\n \n\n\n\n
\n\n\n\n \n \n \"EnhancingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{singh_enhancing_2016,\n\ttitle = {Enhancing phytochemical levels, enzymatic and antioxidant activity of spinach leaves by chitosan treatment and an insight into the metabolic pathway using {DART}-{MS} technique},\n\tvolume = {199},\n\tissn = {03088146},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0308814615302673},\n\tdoi = {10.1016/j.foodchem.2015.11.127},\n\tabstract = {Phytochemicals are health promoting compounds, synthesized by the plants to protect them against biotic or abiotic stress. The metabolic pathways leading to the synthesis of these phytochemicals are highly inducible; therefore methods could be developed to enhance their production by the exogenous application of chemical inducers/elicitors. In the present experiment, chitosan was used as an elicitor molecule to improve the phytochemical content of spinach plant. When applied at a concentration of 0.01 mg/ml as a foliar spray, chitosan was able to cause an increase in the enzymatic (peroxidase, catalase and phenylalanine ammonium lyase (PAL)) and non enzymatic (total phenolics, flavonoids and proteins) defensive metabolites, as well as, in the total antioxidant activity of the spinach leaves. A 1.7-fold increase in the total phenolics, a 2-fold increase in total flavonoid and a 1.6-fold increase in total protein were achieved with the treatment. A higher level of enzymatic activity was observed with a 4-fold increase in peroxidase and approximately 3-fold increases in catalase and phenylalanine ammonium lyase activity. Antioxidant activity showed a positive correlation between phenolic compounds and the enzymatic activity. Direct analysis in real time mass spectrometry (DART-MS) was applied to generate the metabolite profile of control and treated leaves. DART analysis revealed the activation of phenylpropanoid pathway by chitosan molecule, targeting the synthesis of diverse classes of flavonoids and their glycosides. Important metabolites of stress response were also visible in the DART spectra, including proline and free sugars.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Food Chemistry},\n\tauthor = {Singh, Shachi},\n\tmonth = may,\n\tyear = {2016},\n\tpages = {176--184},\n}\n\n\n\n
\n
\n\n\n
\n Phytochemicals are health promoting compounds, synthesized by the plants to protect them against biotic or abiotic stress. The metabolic pathways leading to the synthesis of these phytochemicals are highly inducible; therefore methods could be developed to enhance their production by the exogenous application of chemical inducers/elicitors. In the present experiment, chitosan was used as an elicitor molecule to improve the phytochemical content of spinach plant. When applied at a concentration of 0.01 mg/ml as a foliar spray, chitosan was able to cause an increase in the enzymatic (peroxidase, catalase and phenylalanine ammonium lyase (PAL)) and non enzymatic (total phenolics, flavonoids and proteins) defensive metabolites, as well as, in the total antioxidant activity of the spinach leaves. A 1.7-fold increase in the total phenolics, a 2-fold increase in total flavonoid and a 1.6-fold increase in total protein were achieved with the treatment. A higher level of enzymatic activity was observed with a 4-fold increase in peroxidase and approximately 3-fold increases in catalase and phenylalanine ammonium lyase activity. Antioxidant activity showed a positive correlation between phenolic compounds and the enzymatic activity. Direct analysis in real time mass spectrometry (DART-MS) was applied to generate the metabolite profile of control and treated leaves. DART analysis revealed the activation of phenylpropanoid pathway by chitosan molecule, targeting the synthesis of diverse classes of flavonoids and their glycosides. Important metabolites of stress response were also visible in the DART spectra, including proline and free sugars.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Effects of ion source operating parameters on direct analysis in real time of 18 active components from traditional Chinese medicine.\n \n \n \n \n\n\n \n Wang, L.; Zeng, S.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 121: 30–38. March 2016.\n \n\n\n\n
\n\n\n\n \n \n \"EffectsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_effects_2016,\n\ttitle = {Effects of ion source operating parameters on direct analysis in real time of 18 active components from traditional {Chinese} medicine},\n\tvolume = {121},\n\tissn = {07317085},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0731708516300012},\n\tdoi = {10.1016/j.jpba.2016.01.001},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) provides a new analytical method for traditional Chinese medicine (TCM). The present study investigated the effects of key ion source operating parameters on DART-MS analysis of various TCM active components. A total of 18 active components, including phenylpropanoids, alkaloids, saponins, flavones, volatile oils, and glycosides, were examined. For each substance, the peak area and signal-to-noise of its characteristic ions under different reagent gases and heater temperatures were compared. Based on the comparison, the relationships among chemical structures, ion source parameters and instrument responses were revealed. Finally, some suggestions about choosing reagent gas and heater temperature were proposed for types of TCM active substance, which offered a reference for the application of DART-MS on TCM analysis.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Wang, Lu and Zeng, Shanshan and Qu, Haibin},\n\tmonth = mar,\n\tyear = {2016},\n\tpages = {30--38},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) provides a new analytical method for traditional Chinese medicine (TCM). The present study investigated the effects of key ion source operating parameters on DART-MS analysis of various TCM active components. A total of 18 active components, including phenylpropanoids, alkaloids, saponins, flavones, volatile oils, and glycosides, were examined. For each substance, the peak area and signal-to-noise of its characteristic ions under different reagent gases and heater temperatures were compared. Based on the comparison, the relationships among chemical structures, ion source parameters and instrument responses were revealed. Finally, some suggestions about choosing reagent gas and heater temperature were proposed for types of TCM active substance, which offered a reference for the application of DART-MS on TCM analysis.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry of potential by-products from homemade nitrate ester explosive synthesis.\n \n \n \n \n\n\n \n Sisco, E.; and Forbes, T. P.\n\n\n \n\n\n\n Talanta, 150: 177–183. April 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sisco_direct_2016,\n\ttitle = {Direct analysis in real time mass spectrometry of potential by-products from homemade nitrate ester explosive synthesis},\n\tvolume = {150},\n\tissn = {00399140},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0039914015305385},\n\tdoi = {10.1016/j.talanta.2015.12.013},\n\tabstract = {This work demonstrates the coupling of direct analysis in real time (DART) ionization with time-of-flight mass spectrometry (MS) in an off-axis configuration for the trace detection and analysis of potential partially nitrated and dimerized by-products of homemade nitrate ester explosive synthesis. Five compounds relating to the synthesis of nitroglycerin (NG) and pentaerythritol tetranitrate (PETN) were examined. Deprotonated ions and adducts with molecular oxygen, nitrite, and nitrate were observed in the mass spectral responses of these compounds. A global optimum temperature of 350 °C for the by-products investigated here enabled single nanogram to sub nanogram trace detection. Matrix effects were examined through a series of mixtures containing one or more compounds (sugar alcohol precursors, by-products, and/or explosives) across a range of mass loadings. The explosives MS responses experienced competitive ionization in the presence of all by-products. The magnitude of this influence corresponded to both the degree of by-product nitration and the relative mass loading of the by-product to the explosive. This work provides a characterization of potential by-products from homemade nitrate ester synthesis, including matrix effects and potential challenges that might arise from the trace detection of homemade explosives (HMEs) containing impurities. Detection and understanding of HME impurities and complex mixtures may provide valuable information for the screening and sourcing of homemade nitrate ester explosives.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Talanta},\n\tauthor = {Sisco, Edward and Forbes, Thomas P.},\n\tmonth = apr,\n\tyear = {2016},\n\tpages = {177--183},\n}\n\n\n\n
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\n\n\n
\n This work demonstrates the coupling of direct analysis in real time (DART) ionization with time-of-flight mass spectrometry (MS) in an off-axis configuration for the trace detection and analysis of potential partially nitrated and dimerized by-products of homemade nitrate ester explosive synthesis. Five compounds relating to the synthesis of nitroglycerin (NG) and pentaerythritol tetranitrate (PETN) were examined. Deprotonated ions and adducts with molecular oxygen, nitrite, and nitrate were observed in the mass spectral responses of these compounds. A global optimum temperature of 350 °C for the by-products investigated here enabled single nanogram to sub nanogram trace detection. Matrix effects were examined through a series of mixtures containing one or more compounds (sugar alcohol precursors, by-products, and/or explosives) across a range of mass loadings. The explosives MS responses experienced competitive ionization in the presence of all by-products. The magnitude of this influence corresponded to both the degree of by-product nitration and the relative mass loading of the by-product to the explosive. This work provides a characterization of potential by-products from homemade nitrate ester synthesis, including matrix effects and potential challenges that might arise from the trace detection of homemade explosives (HMEs) containing impurities. Detection and understanding of HME impurities and complex mixtures may provide valuable information for the screening and sourcing of homemade nitrate ester explosives.\n
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\n \n\n \n \n \n \n \n \n Improved desorption/ionization and ion transmission in surface scanning by direct analysis in real time mass spectrometry: Improved HPTLC/DART-MS surface analysis.\n \n \n \n \n\n\n \n Häbe, T. T.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 30(2): 321–332. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"ImprovedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{habe_improved_2016,\n\ttitle = {Improved desorption/ionization and ion transmission in surface scanning by direct analysis in real time mass spectrometry: {Improved} {HPTLC}/{DART}-{MS} surface analysis},\n\tvolume = {30},\n\tissn = {09514198},\n\tshorttitle = {Improved desorption/ionization and ion transmission in surface scanning by direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7434},\n\tdoi = {10.1002/rcm.7434},\n\tabstract = {Rationale Modifications to the Direct Analysis in Real Time mass spectrometry (DART-MS) interface, its source cap and transfer tube were necessary to obtain highest efficiency in desorption and ionization from the sampling surface and in ion transmission into the MS system. These issues are crucial for the trace analysis of any surface and the hyphenation of high-performance thin-layer chromatography (HPTLC) with DART-MS. Methods The ion source mounting was modified to enable short source caps to be utilized in combination with a short transfer tube. The grid voltage contact section was readjusted to increase the intensity of the metastable gas stream towards the substrate. Eighteen different cap and two transfer tube geometries (including gas-stream focusing), along with the influence of their distance from the mass spectrometer glass capillary, were investigated for best signal intensity. Results Using shortened source caps with staged inner bore, a transfer tube with gas-stream focusing and an optimized mounting geometry for DART-MS scanning along five identical deposited bands (600 ng each) of butyl 4-hydroxybenzoate, an average signal precision of 3.6\\% was obtained and the signal intensity was increased by a factor of 34. The width of the gas impact area did not exceed 1.5 mm and the smallest FWHM was determined to be 0.9 mm. Conclusions The desorption strength, ionization efficacy and ion transmission were improved significantly giving increased detectability using this further modified DART-MS interface with reduced cap length and optimum transfer tube geometry. The resolution was comparable with state-of-the-art densitometry. With this setup, reliable HPTLC surface scanning is possible, even for substance amounts in the low-nanogram range.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-01-29},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Häbe, Tim T. and Morlock, Gertrud E.},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {321--332},\n}\n\n\n\n
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\n Rationale Modifications to the Direct Analysis in Real Time mass spectrometry (DART-MS) interface, its source cap and transfer tube were necessary to obtain highest efficiency in desorption and ionization from the sampling surface and in ion transmission into the MS system. These issues are crucial for the trace analysis of any surface and the hyphenation of high-performance thin-layer chromatography (HPTLC) with DART-MS. Methods The ion source mounting was modified to enable short source caps to be utilized in combination with a short transfer tube. The grid voltage contact section was readjusted to increase the intensity of the metastable gas stream towards the substrate. Eighteen different cap and two transfer tube geometries (including gas-stream focusing), along with the influence of their distance from the mass spectrometer glass capillary, were investigated for best signal intensity. Results Using shortened source caps with staged inner bore, a transfer tube with gas-stream focusing and an optimized mounting geometry for DART-MS scanning along five identical deposited bands (600 ng each) of butyl 4-hydroxybenzoate, an average signal precision of 3.6% was obtained and the signal intensity was increased by a factor of 34. The width of the gas impact area did not exceed 1.5 mm and the smallest FWHM was determined to be 0.9 mm. Conclusions The desorption strength, ionization efficacy and ion transmission were improved significantly giving increased detectability using this further modified DART-MS interface with reduced cap length and optimum transfer tube geometry. The resolution was comparable with state-of-the-art densitometry. With this setup, reliable HPTLC surface scanning is possible, even for substance amounts in the low-nanogram range.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time (DART) of an Organothiophosphate at Ultrahigh Resolution by Fourier Transform Ion Cyclotron Resonance Mass Spectrometry and Tandem Mass Spectrometry.\n \n \n \n \n\n\n \n Prokai, L.; and Stevens, S.\n\n\n \n\n\n\n International Journal of Molecular Sciences, 17(1): 116. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{prokai_direct_2016,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) of an {Organothiophosphate} at {Ultrahigh} {Resolution} by {Fourier} {Transform} {Ion} {Cyclotron} {Resonance} {Mass} {Spectrometry} and {Tandem} {Mass} {Spectrometry}},\n\tvolume = {17},\n\tissn = {1422-0067},\n\turl = {http://www.mdpi.com/1422-0067/17/1/116},\n\tdoi = {10.3390/ijms17010116},\n\tabstract = {Direct analysis in real time (DART) is a recently developed ambient ionization technique for mass spectrometry to enable rapid and sensitive analyses with little or no sample preparation. After swab-based field sampling, the organothiophosphate malathion was analyzed using DART-Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS) and tandem mass spectrometry (MS/MS). Mass resolution was documented to be over 800,000 in full-scan MS mode and over 1,000,000 for an MS/MS product ion produced by collision-induced dissociation of the protonated analyte. Mass measurement accuracy below 1 ppm was obtained for all DART-generated ions that belonged to the test compound in the mass spectra acquired using only external mass calibration. This high mass measurement accuracy, achievable at present only through FTMS, was required for unequivocal identification of the corresponding molecular formulae.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-29},\n\tjournal = {International Journal of Molecular Sciences},\n\tauthor = {Prokai, Laszlo and Stevens, Stanley},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {116},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is a recently developed ambient ionization technique for mass spectrometry to enable rapid and sensitive analyses with little or no sample preparation. After swab-based field sampling, the organothiophosphate malathion was analyzed using DART-Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS) and tandem mass spectrometry (MS/MS). Mass resolution was documented to be over 800,000 in full-scan MS mode and over 1,000,000 for an MS/MS product ion produced by collision-induced dissociation of the protonated analyte. Mass measurement accuracy below 1 ppm was obtained for all DART-generated ions that belonged to the test compound in the mass spectra acquired using only external mass calibration. This high mass measurement accuracy, achievable at present only through FTMS, was required for unequivocal identification of the corresponding molecular formulae.\n
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\n \n\n \n \n \n \n \n \n Analysis of carbohydrates in Fusarium verticillioides using size-exclusion HPLC – DRI and direct analysis in real time ionization – time-of-flight – mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Roberts, E. S.; Boudreau, B. A.; Brown, D. W.; McQuade, K. L.; and Remsen, E. E.\n\n\n \n\n\n\n Anal. Methods, 8(3): 673–681. 2016.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{roberts_analysis_2016,\n\ttitle = {Analysis of carbohydrates in {Fusarium} verticillioides using size-exclusion {HPLC} – {DRI} and direct analysis in real time ionization – time-of-flight – mass spectrometry ({DART}-{MS})},\n\tvolume = {8},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C5AY01666E},\n\tdoi = {10.1039/C5AY01666E},\n\tabstract = {Direct analysis in real time ionization-time-of-flight-mass spectrometry (DART-MS) and size-exclusion HPLC-DRI are used, respectively, to qualitatively and quantitatively determine the carbohydrates extracted from the corn rot fungus Fusarium verticillioides. In situ permethylation in the DART beam forms tri-methylammonium adducts of the carbohydrates, which enables positive ion MS detection and analysis of these compounds in either whole fungal extracts or size-exclusion separated HPLC fractions of the extracts. This method detects the disaccharide trehalose at concentrations greater than 3.0 ppm. Additionally, this procedure allows for analysis of glucose as well as the sugar alcohols mannitol, arabitol, and glycerol. The reliability of the DART-MS method is confirmed by the absence of trehalose in a mutant strain of F. verticillioides lacking the gene for trehalose-6-phosphate synthase. The capabilities demonstrated here suggest that the DART-MS method, in conjunction with size-exclusion HPLC, is an effective approach for the analysis of saccharide biomarkers in fungi.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-29},\n\tjournal = {Anal. Methods},\n\tauthor = {Roberts, Ethan S. and Boudreau, Beth A. and Brown, Daren W. and McQuade, Kristi L. and Remsen, Edward E.},\n\tyear = {2016},\n\tpages = {673--681},\n}\n\n\n\n
\n
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\n Direct analysis in real time ionization-time-of-flight-mass spectrometry (DART-MS) and size-exclusion HPLC-DRI are used, respectively, to qualitatively and quantitatively determine the carbohydrates extracted from the corn rot fungus Fusarium verticillioides. In situ permethylation in the DART beam forms tri-methylammonium adducts of the carbohydrates, which enables positive ion MS detection and analysis of these compounds in either whole fungal extracts or size-exclusion separated HPLC fractions of the extracts. This method detects the disaccharide trehalose at concentrations greater than 3.0 ppm. Additionally, this procedure allows for analysis of glucose as well as the sugar alcohols mannitol, arabitol, and glycerol. The reliability of the DART-MS method is confirmed by the absence of trehalose in a mutant strain of F. verticillioides lacking the gene for trehalose-6-phosphate synthase. The capabilities demonstrated here suggest that the DART-MS method, in conjunction with size-exclusion HPLC, is an effective approach for the analysis of saccharide biomarkers in fungi.\n
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\n \n\n \n \n \n \n \n \n Petroleomics by Direct Analysis in Real Time-Mass Spectrometry.\n \n \n \n \n\n\n \n Romão, W.; Tose, L. V.; Vaz, B. G.; Sama, S. G.; Lobinski, R.; Giusti, P.; Carrier, H.; and Bouyssiere, B.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 27(1): 182–185. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"PetroleomicsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{romao_petroleomics_2016,\n\ttitle = {Petroleomics by {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry}},\n\tvolume = {27},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-015-1266-z},\n\tdoi = {10.1007/s13361-015-1266-z},\n\tabstract = {The analysis of crude oil and its fractions by applying ambient ionization techniques remains underexplored in mass spectrometry (MS). Direct analysis in real time (DART) in the positive-ion mode was coupled to a linear quadrupole ion trap Orbitrap mass spectrometer (LTQ Orbitrap) to analyze crude oil, paraffin samples, and porphyrin standard compounds. The ionization parameters of DART-MS were optimized for crude oil analysis. DART-MS rendered the optimum conditions of the operation using paper as the substrate, T = 400°C, helium as the carrier gas, and a sample concentration 6 mg mL-1. In the crude oils analysis, the DART(+)-Orbitrap mass spectra detected the typical N, NO, and O-containing compounds. In the paraffin samples, oxidized hydrocarbon species (Ox classes, where x = 1-4) with double-bond equivalent of 1-4 were detected, and their structures and connectivity were confirmed by collision-induced dissociation (CID) experiments. DART(+)-MS has identified the porphyrin standard compounds as [M + H]+ ions of m/z 615.2502 and 680.1763, where M = C44H30N4 and C44H28N4OV, respectively, based on the formula assignment and by phenyl losses observed on CID experiments.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-29},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Romão, Wanderson and Tose, Lilian V. and Vaz, Boniek G. and Sama, Sara G. and Lobinski, Ryszard and Giusti, Pierre and Carrier, Hervé and Bouyssiere, Brice},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {182--185},\n}\n\n\n\n
\n
\n\n\n
\n The analysis of crude oil and its fractions by applying ambient ionization techniques remains underexplored in mass spectrometry (MS). Direct analysis in real time (DART) in the positive-ion mode was coupled to a linear quadrupole ion trap Orbitrap mass spectrometer (LTQ Orbitrap) to analyze crude oil, paraffin samples, and porphyrin standard compounds. The ionization parameters of DART-MS were optimized for crude oil analysis. DART-MS rendered the optimum conditions of the operation using paper as the substrate, T = 400°C, helium as the carrier gas, and a sample concentration 6 mg mL-1. In the crude oils analysis, the DART(+)-Orbitrap mass spectra detected the typical N, NO, and O-containing compounds. In the paraffin samples, oxidized hydrocarbon species (Ox classes, where x = 1-4) with double-bond equivalent of 1-4 were detected, and their structures and connectivity were confirmed by collision-induced dissociation (CID) experiments. DART(+)-MS has identified the porphyrin standard compounds as [M + H]+ ions of m/z 615.2502 and 680.1763, where M = C44H30N4 and C44H28N4OV, respectively, based on the formula assignment and by phenyl losses observed on CID experiments.\n
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\n \n\n \n \n \n \n \n \n Humidity Effects on Fragmentation in Plasma-Based Ambient Ionization Sources.\n \n \n \n \n\n\n \n Newsome, G. A.; Ackerman, L. K.; and Johnson, K. J.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 27(1): 135–143. January 2016.\n \n\n\n\n
\n\n\n\n \n \n \"HumidityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{newsome_humidity_2016,\n\ttitle = {Humidity {Effects} on {Fragmentation} in {Plasma}-{Based} {Ambient} {Ionization} {Sources}},\n\tvolume = {27},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-015-1259-y},\n\tdoi = {10.1007/s13361-015-1259-y},\n\tabstract = {Post-plasma ambient desorption/ionization (ADI) sources are fundamentally dependent on surrounding water vapor to produce protonated analyte ions. There are two reports of humidity effects on ADI spectra. However, it is unclear whether humidity will affect all ADI sources and analytes, and by what mechanism humidity affects spectra. Flowing atmospheric pressure afterglow (FAPA) ionization and direct analysis in real time (DART) mass spectra of various surface-deposited and gas-phase analytes were acquired at ambient temperature and pressure across a range of observed humidity values. A controlled humidity enclosure around the ion source and mass spectrometer inlet was used to create programmed humidity and temperatures. The relative abundance and fragmentation of molecular adduct ions for several compounds consistently varied with changing ambient humidity and also were controlled with the humidity enclosure. For several compounds, increasing humidity decreased protonated molecule and other molecular adduct ion fragmentation in both FAPA and DART spectra. For others, humidity increased fragment ion ratios. The effects of humidity on molecular adduct ion fragmentation were caused by changes in the relative abundances of different reagent protonated water clusters and, thus, a change in the average difference in proton affinity between an analyte and the population of water clusters. Control of humidity in ambient post-plasma ion sources is needed to create spectral stability and reproducibility.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-29},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Newsome, G. Asher and Ackerman, Luke K. and Johnson, Kevin J.},\n\tmonth = jan,\n\tyear = {2016},\n\tpages = {135--143},\n}\n\n\n\n
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\n Post-plasma ambient desorption/ionization (ADI) sources are fundamentally dependent on surrounding water vapor to produce protonated analyte ions. There are two reports of humidity effects on ADI spectra. However, it is unclear whether humidity will affect all ADI sources and analytes, and by what mechanism humidity affects spectra. Flowing atmospheric pressure afterglow (FAPA) ionization and direct analysis in real time (DART) mass spectra of various surface-deposited and gas-phase analytes were acquired at ambient temperature and pressure across a range of observed humidity values. A controlled humidity enclosure around the ion source and mass spectrometer inlet was used to create programmed humidity and temperatures. The relative abundance and fragmentation of molecular adduct ions for several compounds consistently varied with changing ambient humidity and also were controlled with the humidity enclosure. For several compounds, increasing humidity decreased protonated molecule and other molecular adduct ion fragmentation in both FAPA and DART spectra. For others, humidity increased fragment ion ratios. The effects of humidity on molecular adduct ion fragmentation were caused by changes in the relative abundances of different reagent protonated water clusters and, thus, a change in the average difference in proton affinity between an analyte and the population of water clusters. Control of humidity in ambient post-plasma ion sources is needed to create spectral stability and reproducibility.\n
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\n  \n 2015\n \n \n (242)\n \n \n
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\n \n\n \n \n \n \n \n \n Rapid fingerprinting of Rauwolfia species using direct analysis in real time mass spectrometry combined with principal component analysis for their discrimination.\n \n \n \n \n\n\n \n Kumar, S.; Bajpai, V.; Singh, A.; Bindu, S.; Srivastava, M.; Rameshkumar, K. B.; and Kumar, B.\n\n\n \n\n\n\n Anal. Methods, 7(14): 6021–6026. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{kumar_rapid_2015,\n\ttitle = {Rapid fingerprinting of {Rauwolfia} species using direct analysis in real time mass spectrometry combined with principal component analysis for their discrimination},\n\tvolume = {7},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C5AY01249J},\n\tdoi = {10.1039/C5AY01249J},\n\tabstract = {Medicinal plants of the genus Rauwolfia (Apocynaceae) are extensively used as folk medicines worldwide. Its antihypertensive activity is well known due to the presence of monoterpene indole alkaloids (MIAs). The therapeutic potential of the herbal medicines are affected due to variation of bioactive phytoconstituents. Therefore, a rapid and validated method was developed for fingerprinting of roots and leaves of six Rauwolfia species by direct analysis in real time mass spectrometry (DART-MS). Seventeen bioactive MIAs were tentatively identified on the basis of their exact mass measurement from the intact plant parts. Furthermore, principal component analysis (PCA) was used to analyze the DART-MS data of six Rauwolfia species to identify the chemical markers. Thirteen and twenty-three chemical markers were identified from the roots and leaves which were able to discriminate among six Rauwolfia species. This method was also cross-validated for the rapid identification, authentication and quality control of Rauwolfia species.},\n\tlanguage = {en},\n\tnumber = {14},\n\turldate = {2016-01-28},\n\tjournal = {Anal. Methods},\n\tauthor = {Kumar, Sunil and Bajpai, Vikas and Singh, Awantika and Bindu, S. and Srivastava, Mukesh and Rameshkumar, K. B. and Kumar, Brijesh},\n\tyear = {2015},\n\tpages = {6021--6026},\n}\n\n\n\n
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\n Medicinal plants of the genus Rauwolfia (Apocynaceae) are extensively used as folk medicines worldwide. Its antihypertensive activity is well known due to the presence of monoterpene indole alkaloids (MIAs). The therapeutic potential of the herbal medicines are affected due to variation of bioactive phytoconstituents. Therefore, a rapid and validated method was developed for fingerprinting of roots and leaves of six Rauwolfia species by direct analysis in real time mass spectrometry (DART-MS). Seventeen bioactive MIAs were tentatively identified on the basis of their exact mass measurement from the intact plant parts. Furthermore, principal component analysis (PCA) was used to analyze the DART-MS data of six Rauwolfia species to identify the chemical markers. Thirteen and twenty-three chemical markers were identified from the roots and leaves which were able to discriminate among six Rauwolfia species. This method was also cross-validated for the rapid identification, authentication and quality control of Rauwolfia species.\n
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\n \n\n \n \n \n \n \n \n Determination of T-2 and HT-2 toxins from maize by direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Busman, M.; and Maragos, C.\n\n\n \n\n\n\n World Mycotoxin Journal, 8(4): 489–497. August 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{busman_determination_2015,\n\ttitle = {Determination of {T}-2 and {HT}-2 toxins from maize by direct analysis in real time mass spectrometry},\n\tvolume = {8},\n\tissn = {1875-0710, 1875-0796},\n\turl = {http://www.wageningenacademic.com/doi/10.3920/WMJ2014.1854},\n\tdoi = {10.3920/WMJ2014.1854},\n\tabstract = {Direct analysis in real time (DART) ionisation coupled to mass spectrometry (MS) was used for the rapid quantitative analysis of T-2 toxin (T-2) and the related HT-2 toxin (HT-2), extracted from maize. Sample preparation procedures and instrument parameters were optimised to obtain sensitive and accurate determination of the toxins. The lowest calibration levels were 50 μg/kg for T-2 and 300 μg/kg for HT-2. Quantitative analysis was performed with the use of matrix-matched standards employing the 13C-labelled internal standard for T-2. DART-MS of maize extracts spiked with T-2 gave a linear response over the range of 50-1000 μg/kg. With the isotope dilution technique, good recoveries (99-110\\%) and repeatabilities (relative standard deviaiton 7.4-11.6\\%) were obtained at T-2 spiking levels of 100 and 1000 μg/kg. Adaptability of the developed method was demonstrated by analysis of T-2 and HT-2 from an oat flour quality control material. The results here further indicate the potential for application of ambient ionisation mass spectrometry to provide accurate, convenient quantitation of mycotoxins from grains.},\n\tlanguage = {en},\n\tnumber = {4},\n\turldate = {2016-01-28},\n\tjournal = {World Mycotoxin Journal},\n\tauthor = {Busman, M. and Maragos, C.M.},\n\tmonth = aug,\n\tyear = {2015},\n\tpages = {489--497},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Direct analysis in real time (DART) ionisation coupled to mass spectrometry (MS) was used for the rapid quantitative analysis of T-2 toxin (T-2) and the related HT-2 toxin (HT-2), extracted from maize. Sample preparation procedures and instrument parameters were optimised to obtain sensitive and accurate determination of the toxins. The lowest calibration levels were 50 μg/kg for T-2 and 300 μg/kg for HT-2. Quantitative analysis was performed with the use of matrix-matched standards employing the 13C-labelled internal standard for T-2. DART-MS of maize extracts spiked with T-2 gave a linear response over the range of 50-1000 μg/kg. With the isotope dilution technique, good recoveries (99-110%) and repeatabilities (relative standard deviaiton 7.4-11.6%) were obtained at T-2 spiking levels of 100 and 1000 μg/kg. Adaptability of the developed method was demonstrated by analysis of T-2 and HT-2 from an oat flour quality control material. The results here further indicate the potential for application of ambient ionisation mass spectrometry to provide accurate, convenient quantitation of mycotoxins from grains.\n
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\n \n\n \n \n \n \n \n \n Office Chromatography: Precise printing of sample solutions on miniaturized thin-layer phases and utilization for scanning Direct Analysis in Real Time mass spectrometry.\n \n \n \n \n\n\n \n Häbe, T. T.; and Morlock, G. E.\n\n\n \n\n\n\n Journal of Chromatography A, 1413: 127–134. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"OfficePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{habe_office_2015,\n\ttitle = {Office {Chromatography}: {Precise} printing of sample solutions on miniaturized thin-layer phases and utilization for scanning {Direct} {Analysis} in {Real} {Time} mass spectrometry},\n\tvolume = {1413},\n\tissn = {00219673},\n\tshorttitle = {Office {Chromatography}},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0021967315011309},\n\tdoi = {10.1016/j.chroma.2015.08.003},\n\tabstract = {Office Chromatography combines achievements in office technologies with miniaturized planar chromatography. In the life sciences, printing of materials became an accepted technique, whereas in separation science, the use of printers for chromatography is at its infancy. A bubble-jet printer was modified for exact application on miniaturized plates. Technical modifications included the removal of all unnecessary parts and the improvement of the positioning system, purge unit and sample supply system. Evaluation was performed via a slide scanner and image evaluation software. Printing of a food dye mixture solution (n=5) led to a calculated mean deposition volume of 13±1nL/mm2 per print-cycle. A mean determination coefficient (R2; n=5) of 0.9990 was obtained for application of increasing volumes, executed via increasing band widths of 50-200μm (corresponding to 2-8nL). Using larger band widths and multiple print jobs, deposition volumes of up to the microliter scale represented an alternative to cost-intensive standard equipment. After print, separation, detection and digital evaluation of five food dyes, mean R2 (n=5) were obtained between 0.9977 and 0.9995. The accuracy of printing was proven by mean recovery rates of 101-105\\% with repeatabilities of 3-7\\% (\\%RSD, n=5). The transfer to nanostructured ultrathin-layer plates proved the synergetic potential of these fields of research. First, this modified printer was suited for printing of finely graduated scales of three preservatives for determination of the spatial resolution of scanning Direct Analysis in Real Time mass spectrometry.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Häbe, Tim T. and Morlock, Gertrud E.},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {127--134},\n}\n\n\n\n
\n
\n\n\n
\n Office Chromatography combines achievements in office technologies with miniaturized planar chromatography. In the life sciences, printing of materials became an accepted technique, whereas in separation science, the use of printers for chromatography is at its infancy. A bubble-jet printer was modified for exact application on miniaturized plates. Technical modifications included the removal of all unnecessary parts and the improvement of the positioning system, purge unit and sample supply system. Evaluation was performed via a slide scanner and image evaluation software. Printing of a food dye mixture solution (n=5) led to a calculated mean deposition volume of 13±1nL/mm2 per print-cycle. A mean determination coefficient (R2; n=5) of 0.9990 was obtained for application of increasing volumes, executed via increasing band widths of 50-200μm (corresponding to 2-8nL). Using larger band widths and multiple print jobs, deposition volumes of up to the microliter scale represented an alternative to cost-intensive standard equipment. After print, separation, detection and digital evaluation of five food dyes, mean R2 (n=5) were obtained between 0.9977 and 0.9995. The accuracy of printing was proven by mean recovery rates of 101-105% with repeatabilities of 3-7% (%RSD, n=5). The transfer to nanostructured ultrathin-layer plates proved the synergetic potential of these fields of research. First, this modified printer was suited for printing of finely graduated scales of three preservatives for determination of the spatial resolution of scanning Direct Analysis in Real Time mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Detection of nicotine as an indicator of tobacco smoke by direct analysis in real time (DART) tandem mass spectrometry.\n \n \n \n \n\n\n \n Kuki, Á.; Nagy, L.; Nagy, T.; Zsuga, M.; and Kéki, S.\n\n\n \n\n\n\n Atmospheric Environment, 100: 74–77. January 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{kuki_detection_2015,\n\ttitle = {Detection of nicotine as an indicator of tobacco smoke by direct analysis in real time ({DART}) tandem mass spectrometry},\n\tvolume = {100},\n\tissn = {13522310},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1352231014008437},\n\tdoi = {10.1016/j.atmosenv.2014.10.046},\n\tabstract = {The residual tobacco smoke contamination (thirdhand smoke, THS) on the clothes of a smoker was examined by direct analysis in real time (DART) mass spectrometry. DART-MS enabled sensitive and selective analysis of nicotine as the indicator of tobacco smoke pollution. Tandem mass spectrometric (MS/MS) experiments were also performed to confirm the identification of nicotine. Transferred thirdhand smoke originated from the fingers of a smoker onto other objects was also detected by DART mass spectrometry. DART-MS/MS was utilized for monitoring the secondhand tobacco smoke (SHS) in the air of the laboratory using nicotine as an indicator. To the best of our knowledge, this is the first report on the application of DART-MS and DART-MS/MS to the detection of thirdhand smoke and to the monitoring of secondhand smoke.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Atmospheric Environment},\n\tauthor = {Kuki, Ákos and Nagy, Lajos and Nagy, Tibor and Zsuga, Miklós and Kéki, Sándor},\n\tmonth = jan,\n\tyear = {2015},\n\tpages = {74--77},\n}\n\n\n\n
\n
\n\n\n
\n The residual tobacco smoke contamination (thirdhand smoke, THS) on the clothes of a smoker was examined by direct analysis in real time (DART) mass spectrometry. DART-MS enabled sensitive and selective analysis of nicotine as the indicator of tobacco smoke pollution. Tandem mass spectrometric (MS/MS) experiments were also performed to confirm the identification of nicotine. Transferred thirdhand smoke originated from the fingers of a smoker onto other objects was also detected by DART mass spectrometry. DART-MS/MS was utilized for monitoring the secondhand tobacco smoke (SHS) in the air of the laboratory using nicotine as an indicator. To the best of our knowledge, this is the first report on the application of DART-MS and DART-MS/MS to the detection of thirdhand smoke and to the monitoring of secondhand smoke.\n
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\n \n\n \n \n \n \n \n \n Flexible Device for Direct Analysis in Real Time without Grid Electrode for Mass Spectrometric Analysis.\n \n \n \n \n\n\n \n Han, Y.; Zhang, Y.; Yang, Y.; Huang, Y.; and Xu, X.\n\n\n \n\n\n\n Chinese Journal of Analytical Chemistry, 43(3): 451–456. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"FlexiblePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{han_flexible_2015,\n\ttitle = {Flexible {Device} for {Direct} {Analysis} in {Real} {Time} without {Grid} {Electrode} for {Mass} {Spectrometric} {Analysis}},\n\tvolume = {43},\n\tissn = {18722040},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1872204015608131},\n\tdoi = {10.1016/S1872-2040(15)60813-1},\n\tabstract = {A flexible and simple direct analysis in real-time (DART) device was developed without grid electrode for mass spectrometer injection. It contained inert carrier gas, ionizer, heater and temperature-controller etc. By excluding the grid electrode and then reducing the structure units, the device could be easy to build up in low cost and flexible to connect with a variety of mass spectrometers. Under the optimum experimental conditions including argon carrier gas with a flow rate of 7.5 L min-1, and heat tape temperature of 300°C, the device was used to analyze benzene alcohol, linoleic acid, dichlorvos emulsion, mosquito coils, citrus peel, and sample (propranolol hydrochloride) on thin-layer plate combined with mass spectrometer. The results were accurate and showed the device was stable and reliable. Copyright © 2015, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-28},\n\tjournal = {Chinese Journal of Analytical Chemistry},\n\tauthor = {Han, Yu-Liang and Zhang, Yao-Li and Yang, Yu-Hui and Huang, Yu-Yu and Xu, Xu},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {451--456},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n A flexible and simple direct analysis in real-time (DART) device was developed without grid electrode for mass spectrometer injection. It contained inert carrier gas, ionizer, heater and temperature-controller etc. By excluding the grid electrode and then reducing the structure units, the device could be easy to build up in low cost and flexible to connect with a variety of mass spectrometers. Under the optimum experimental conditions including argon carrier gas with a flow rate of 7.5 L min-1, and heat tape temperature of 300°C, the device was used to analyze benzene alcohol, linoleic acid, dichlorvos emulsion, mosquito coils, citrus peel, and sample (propranolol hydrochloride) on thin-layer plate combined with mass spectrometer. The results were accurate and showed the device was stable and reliable. Copyright © 2015, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences.\n
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\n \n\n \n \n \n \n \n \n Analysis of the cyanolichen Lichina pygmaea metabolites using in situ DART-MS: from detection to thermochemistry of mycosporine serinol: DART-MS of cyanolichen Lichina pygmea metabolites.\n \n \n \n \n\n\n \n Le Pogam, P.; Legouin, B.; Le Lamer, A.; Boustie, J.; and Rondeau, D.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 50(3): 454–462. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{le_pogam_analysis_2015,\n\ttitle = {Analysis of the cyanolichen {Lichina} pygmaea metabolites using in situ {DART}-{MS}: from detection to thermochemistry of mycosporine serinol: {DART}-{MS} of cyanolichen {Lichina} pygmea metabolites},\n\tvolume = {50},\n\tissn = {10765174},\n\tshorttitle = {Analysis of the cyanolichen \\textit{{Lichina} pygmaea} metabolites using \\textit{in situ} {DART}-{MS}},\n\turl = {http://doi.wiley.com/10.1002/jms.3549},\n\tdoi = {10.1002/jms.3549},\n\tabstract = {Direct Analysis in Real Time DART-HRMS is here first applied to the detection of molecules from a lichen, Lichina pygmaea. The aim was to propose an innovative method of in situ detection of lichen secondary metabolites using the possibilities of elemental composition determination available when a DART source is interfaced with a TOF analyzer. Three kinds of samples have been submitted to DART ionization, i.e. an intact thallus, a powder obtained from the crushed lichen and an aqueous extract. In situ analysis of crushed lichen, yields an extensive chemical profile, comparable to what is obtained from the aqueous extract, comprising both major polar metabolites described in literature along with some other signals that could correspond to potentially unknown metabolites. One of the detected secondary metabolites, mycosporine serinol, underwent a dehydration reaction prior to its transfer in the gas-phase by DART ionization. The consideration of the thermal transfers involved in the DART ionization process and the possibility to record time-dependent mass spectra through the use of the TOF analyzer allowed establishing Arrhenius plots of this water molecule loss to obtain associated thermodynamic quantities. The low values of corresponding activation enthalpy (Δr‡Hm of the order of 25kJmol-1) enabled formulating some assumption regarding a possible role of such metabolites in the lichen.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Le Pogam, Pierre and Legouin, Béatrice and Le Lamer, Anne-Cécile and Boustie, Joël and Rondeau, David},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {454--462},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time DART-HRMS is here first applied to the detection of molecules from a lichen, Lichina pygmaea. The aim was to propose an innovative method of in situ detection of lichen secondary metabolites using the possibilities of elemental composition determination available when a DART source is interfaced with a TOF analyzer. Three kinds of samples have been submitted to DART ionization, i.e. an intact thallus, a powder obtained from the crushed lichen and an aqueous extract. In situ analysis of crushed lichen, yields an extensive chemical profile, comparable to what is obtained from the aqueous extract, comprising both major polar metabolites described in literature along with some other signals that could correspond to potentially unknown metabolites. One of the detected secondary metabolites, mycosporine serinol, underwent a dehydration reaction prior to its transfer in the gas-phase by DART ionization. The consideration of the thermal transfers involved in the DART ionization process and the possibility to record time-dependent mass spectra through the use of the TOF analyzer allowed establishing Arrhenius plots of this water molecule loss to obtain associated thermodynamic quantities. The low values of corresponding activation enthalpy (Δr‡Hm of the order of 25kJmol-1) enabled formulating some assumption regarding a possible role of such metabolites in the lichen.\n
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\n \n\n \n \n \n \n \n \n Analysis of Silicones Released from Household Items and Baby Articles by Direct Analysis in Real Time-Mass Spectrometry.\n \n \n \n \n\n\n \n Gross, J. H.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 26(3): 511–521. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{gross_analysis_2015,\n\ttitle = {Analysis of {Silicones} {Released} from {Household} {Items} and {Baby} {Articles} by {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry}},\n\tvolume = {26},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-014-1042-5},\n\tdoi = {10.1007/s13361-014-1042-5},\n\tabstract = {Direct analysis in real time-mass spectrometry (DART-MS) enables screening of articles of daily use made of polydimethylsiloxanes (PDMS), commonly known as silicone rubber, to assess their tendency to release low molecular weight silicone oligomers. DART-MS analyses were performed on a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. Flexible silicone baking molds, a watch band, and a dough scraper, as baby articles different brands of pacifiers, nipples, and a teething ring have been examined. While somewhat arbitrarily chosen, the set can be regarded as representative of household items, baby articles, and other objects made of silicone rubber. For comparison, two brands of silicone septa and as blanks a glass slide and a latex pacifier were included. Differences between the objects were mainly observed in terms of molecular weight distribution and occasional release of other compounds in addition to PDMS. Other than that, all objects made of silicone rubber released significant amounts of PDMS during DART analysis. To provide a coarse quantification, a calibration based on silicone oil was established, which delivered PDMS losses from 20 μg to {\\textgreater}100 μg during the 16-s period per measurement. Also, the extraction of baking molds in rapeseed oil demonstrated a PDMS release at the level of 1 μg mg-1. These findings indicate a potential health hazard from frequent or long-term use of such items. This work does not intend to blame certain brands of such articles. Nonetheless, a higher level of awareness of this source of daily silicone intake is suggested.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-28},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Gross, Jürgen H.},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {511--521},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time-mass spectrometry (DART-MS) enables screening of articles of daily use made of polydimethylsiloxanes (PDMS), commonly known as silicone rubber, to assess their tendency to release low molecular weight silicone oligomers. DART-MS analyses were performed on a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. Flexible silicone baking molds, a watch band, and a dough scraper, as baby articles different brands of pacifiers, nipples, and a teething ring have been examined. While somewhat arbitrarily chosen, the set can be regarded as representative of household items, baby articles, and other objects made of silicone rubber. For comparison, two brands of silicone septa and as blanks a glass slide and a latex pacifier were included. Differences between the objects were mainly observed in terms of molecular weight distribution and occasional release of other compounds in addition to PDMS. Other than that, all objects made of silicone rubber released significant amounts of PDMS during DART analysis. To provide a coarse quantification, a calibration based on silicone oil was established, which delivered PDMS losses from 20 μg to \\textgreater100 μg during the 16-s period per measurement. Also, the extraction of baking molds in rapeseed oil demonstrated a PDMS release at the level of 1 μg mg-1. These findings indicate a potential health hazard from frequent or long-term use of such items. This work does not intend to blame certain brands of such articles. Nonetheless, a higher level of awareness of this source of daily silicone intake is suggested.\n
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\n \n\n \n \n \n \n \n \n Rapid screening of 35 new psychoactive substances by ion mobility spectrometry (IMS) and direct analysis in real time (DART) coupled to quadrupole time-of-flight mass spectrometry (QTOF-MS): Rapid screening of New psychoactive substances by IMS and DART-QTOF-MS.\n \n \n \n \n\n\n \n Gwak, S.; and Almirall, J. R.\n\n\n \n\n\n\n Drug Testing and Analysis, 7(10): 884–893. October 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{gwak_rapid_2015,\n\ttitle = {Rapid screening of 35 new psychoactive substances by ion mobility spectrometry ({IMS}) and direct analysis in real time ({DART}) coupled to quadrupole time-of-flight mass spectrometry ({QTOF}-{MS}): {Rapid} screening of {New} psychoactive substances by {IMS} and {DART}-{QTOF}-{MS}},\n\tvolume = {7},\n\tissn = {19427603},\n\tshorttitle = {Rapid screening of 35 new psychoactive substances by ion mobility spectrometry ({IMS}) and direct analysis in real time ({DART}) coupled to quadrupole time-of-flight mass spectrometry ({QTOF}-{MS})},\n\turl = {http://doi.wiley.com/10.1002/dta.1783},\n\tdoi = {10.1002/dta.1783},\n\tabstract = {The recent propagation of new psychoactive substances (NPS) has led to the development of new techniques for the rapid characterization of controlled substances in this category. A commercial bench-top ion mobility spectrometer (IMS) with a 63Ni ionization source and a direct analysis in real time (DART) coupled to quadrupole time-of-flight (QTOF) were used for the rapid characterization of 35 NPS. The advantages of these techniques are fast response, ease of operation, and minimal sample preparation. The characteristic reduced mobilities of each substance are reported as are the mass spectra of the 35 compounds. The acquired product ion scan mass spectra were also compared to a library database constructed by QTOF with a electrospray ionization (ESI) source and showed a consistent relative abundance for each peak over time. A total of four seized drug samples provided by the local forensic laboratory were analyzed in order to demonstrate the utility of this approach. The results of this study suggest that both IMS and DART-QTOF are promising alternatives for the rapid screening and characterization of these new psychoactive substances.},\n\tlanguage = {en},\n\tnumber = {10},\n\turldate = {2016-01-28},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Gwak, Seongshin and Almirall, Jose R.},\n\tmonth = oct,\n\tyear = {2015},\n\tpages = {884--893},\n}\n\n\n\n
\n
\n\n\n
\n The recent propagation of new psychoactive substances (NPS) has led to the development of new techniques for the rapid characterization of controlled substances in this category. A commercial bench-top ion mobility spectrometer (IMS) with a 63Ni ionization source and a direct analysis in real time (DART) coupled to quadrupole time-of-flight (QTOF) were used for the rapid characterization of 35 NPS. The advantages of these techniques are fast response, ease of operation, and minimal sample preparation. The characteristic reduced mobilities of each substance are reported as are the mass spectra of the 35 compounds. The acquired product ion scan mass spectra were also compared to a library database constructed by QTOF with a electrospray ionization (ESI) source and showed a consistent relative abundance for each peak over time. A total of four seized drug samples provided by the local forensic laboratory were analyzed in order to demonstrate the utility of this approach. The results of this study suggest that both IMS and DART-QTOF are promising alternatives for the rapid screening and characterization of these new psychoactive substances.\n
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\n \n\n \n \n \n \n \n \n Schlieren visualization of fluid dynamics effects in direct analysis in real time mass spectrometry: Schlieren DART-MS.\n \n \n \n \n\n\n \n Curtis, M.; Keelor, J. D.; Jones, C. M.; Pittman, J. J.; Jones, P. R.; Sparkman, O. D.; and Fernández, F. M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(5): 431–439. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"SchlierenPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{curtis_schlieren_2015,\n\ttitle = {Schlieren visualization of fluid dynamics effects in direct analysis in real time mass spectrometry: {Schlieren} {DART}-{MS}},\n\tvolume = {29},\n\tissn = {09514198},\n\tshorttitle = {Schlieren visualization of fluid dynamics effects in direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7119},\n\tdoi = {10.1002/rcm.7119},\n\tabstract = {Rationale The success of ambient analysis using plasma-based ion sources depends heavily on fluid dynamics and mass transport efficiency in the sample region. To help characterize the influence of these determining factors, visualization of the gas flow profile for a Direct Analysis in Real Time (DART) ion source at the mass spectrometer atmospheric pressure (AP) interface was performed using the Schlieren technique. Methods The DART helium flow pattern was imaged in model systems incorporating different interface designs, i.e. skimmer or capillary inlet, and for sampling strategies using several types of traditional DART sample probes including a glass capillary, swab, and drug tablet. Notably, Schlieren experiments were conducted on instruments equipped with the gas-ion separator tube (GIST) adapter and Vapur® pump, and on setups featuring the transmission mode (TM) DART module used in standard practice. Results DART sources were seen to expel a collimated, highly laminar helium stream across interface distances up to {\\textasciitilde}8 cm. The helium stream was robust to the influence of gas temperature (50-500 C) and flow rate (≤3.5 Lmin-1), but considerable DART gas deflection or full disruption was observed in each sampling scenario. The severity of the flow disturbance depended on probe size and placement, the GIST/Vapur® settings, or counter-current gas movements present at the interface. Conclusions The real-time Schlieren visualizations introduced in this work provide new insight on the fluid dynamics within the DART-MS sample gap while also helping to identify those experimental parameters requiring optimization for improved transmission.},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-01-28},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Curtis, Matthew and Keelor, Joel D. and Jones, Christina M. and Pittman, Jennifer J. and Jones, Patrick R. and Sparkman, O. David and Fernández, Facundo M.},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {431--439},\n}\n\n\n\n
\n
\n\n\n
\n Rationale The success of ambient analysis using plasma-based ion sources depends heavily on fluid dynamics and mass transport efficiency in the sample region. To help characterize the influence of these determining factors, visualization of the gas flow profile for a Direct Analysis in Real Time (DART) ion source at the mass spectrometer atmospheric pressure (AP) interface was performed using the Schlieren technique. Methods The DART helium flow pattern was imaged in model systems incorporating different interface designs, i.e. skimmer or capillary inlet, and for sampling strategies using several types of traditional DART sample probes including a glass capillary, swab, and drug tablet. Notably, Schlieren experiments were conducted on instruments equipped with the gas-ion separator tube (GIST) adapter and Vapur® pump, and on setups featuring the transmission mode (TM) DART module used in standard practice. Results DART sources were seen to expel a collimated, highly laminar helium stream across interface distances up to ~8 cm. The helium stream was robust to the influence of gas temperature (50-500 C) and flow rate (≤3.5 Lmin-1), but considerable DART gas deflection or full disruption was observed in each sampling scenario. The severity of the flow disturbance depended on probe size and placement, the GIST/Vapur® settings, or counter-current gas movements present at the interface. Conclusions The real-time Schlieren visualizations introduced in this work provide new insight on the fluid dynamics within the DART-MS sample gap while also helping to identify those experimental parameters requiring optimization for improved transmission.\n
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\n \n\n \n \n \n \n \n \n A High Throughput Ambient Mass Spectrometric Approach to Species Identification and Classification from Chemical Fingerprint Signatures.\n \n \n \n \n\n\n \n Musah, R. A.; Espinoza, E. O.; Cody, R. B.; Lesiak, A. D.; Christensen, E. D.; Moore, H. E.; Maleknia, S.; and Drijfhout, F. P.\n\n\n \n\n\n\n Scientific Reports, 5: 11520. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{musah_high_2015,\n\ttitle = {A {High} {Throughput} {Ambient} {Mass} {Spectrometric} {Approach} to {Species} {Identification} and {Classification} from {Chemical} {Fingerprint} {Signatures}},\n\tvolume = {5},\n\tissn = {2045-2322},\n\turl = {http://www.nature.com/articles/srep11520},\n\tdoi = {10.1038/srep11520},\n\tabstract = {A high throughput method for species identification and classification through chemometric processing of direct analysis in real time (DART) mass spectrometry-derived fingerprint signatures has been developed. The method entails introduction of samples to the open air space between the DART ion source and the mass spectrometer inlet, with the entire observed mass spectral fingerprint subjected to unsupervised hierarchical clustering processing. A range of both polar and non-polar chemotypes are instantaneously detected. The result is identification and species level classification based on the entire DART-MS spectrum. Here, we illustrate how the method can be used to: (1) distinguish between endangered woods regulated by the Convention for the International Trade of Endangered Flora and Fauna (CITES) treaty; (2) assess the origin and by extension the properties of biodiesel feedstocks; (3) determine insect species from analysis of puparial casings; (4) distinguish between psychoactive plants products; and (5) differentiate between Eucalyptus species. An advantage of the hierarchical clustering approach to processing of the DART-MS derived fingerprint is that it shows both similarities and differences between species based on their chemotypes. Furthermore, full knowledge of the identities of the constituents contained within the small molecule profile of analyzed samples is not required.},\n\turldate = {2016-01-28},\n\tjournal = {Scientific Reports},\n\tauthor = {Musah, Rabi A. and Espinoza, Edgard O. and Cody, Robert B. and Lesiak, Ashton D. and Christensen, Earl D. and Moore, Hannah E. and Maleknia, Simin and Drijfhout, Falko P.},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {11520},\n}\n\n\n\n
\n
\n\n\n
\n A high throughput method for species identification and classification through chemometric processing of direct analysis in real time (DART) mass spectrometry-derived fingerprint signatures has been developed. The method entails introduction of samples to the open air space between the DART ion source and the mass spectrometer inlet, with the entire observed mass spectral fingerprint subjected to unsupervised hierarchical clustering processing. A range of both polar and non-polar chemotypes are instantaneously detected. The result is identification and species level classification based on the entire DART-MS spectrum. Here, we illustrate how the method can be used to: (1) distinguish between endangered woods regulated by the Convention for the International Trade of Endangered Flora and Fauna (CITES) treaty; (2) assess the origin and by extension the properties of biodiesel feedstocks; (3) determine insect species from analysis of puparial casings; (4) distinguish between psychoactive plants products; and (5) differentiate between Eucalyptus species. An advantage of the hierarchical clustering approach to processing of the DART-MS derived fingerprint is that it shows both similarities and differences between species based on their chemotypes. Furthermore, full knowledge of the identities of the constituents contained within the small molecule profile of analyzed samples is not required.\n
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\n \n\n \n \n \n \n \n \n Mechanism and application of halogen bond induced fluorescence enhancement and iodine molecule cleavage in solution.\n \n \n \n \n\n\n \n Zou, W.; Lin, S.; Li, J.; Wei, H.; Zhang, X.; Shen, D.; Qiao, J.; Lian, H.; Xie, D.; and Ge, X.\n\n\n \n\n\n\n New J. Chem., 39(1): 262–272. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"MechanismPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zou_mechanism_2015,\n\ttitle = {Mechanism and application of halogen bond induced fluorescence enhancement and iodine molecule cleavage in solution},\n\tvolume = {39},\n\tissn = {1144-0546, 1369-9261},\n\turl = {http://xlink.rsc.org/?DOI=C4NJ01396D},\n\tdoi = {10.1039/C4NJ01396D},\n\tabstract = {In this paper, a strong halogen bond (XB) donor (iodine) and photoinduced electron transfer (PET) molecule (ciprofloxacin, Cip) were selected with the objective to investigate halogen bonding under weakly alkaline conditions. A series of experimental characterization techniques was employed to elucidate the interaction mechanism of the XB, in combination with theoretical calculations. It is found that new UV-Vis absorption peaks and the fluorescence enhancement with the mixing of Cip and iodine are attributed to the disruption of the PET charge separation process through the halogen bonding interaction. The 2:1 stoichiometry of the XB complex (I2:Cip) was attested using a modified Benesi-Hildebrand method. 1H NMR spectra showed that the iodine molecule can interact with three nitrogen atoms of Cip to form three XBs. FT-IR spectra indicated that the nitrogen atom of the imino group is the preferential interaction site of the XB. Notably, direct analysis in real time-mass spectrometry (DART-MS) gave a distinct quasi-molecular ion of the supramolecular complex (Cip + I) in solution. Meanwhile, density functional theory (DFT), taking into account the dispersion energy, revealed that the formation of an I⋯N XB not only disrupts the PET charge separation process of Cip to enhance fluorescence but also induces the cleavage of an iodine molecule (I-I) to produce a triiodine anion (I3 -) XB. This explained why I3 - was observed in UV-Vis and DART-MS as well as in the crystal, and how the fourth iodine atom involved in the self-assembly of the XB existed stably. Moreover, a developed optosensor based on halogen bonding has been successfully used to analyze commercial Cip·HCl capsules, suggesting the potential applicability of halogen bonding in real pharmaceutical analyses.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {New J. Chem.},\n\tauthor = {Zou, Wen-Sheng and Lin, Sen and Li, Jia-Yuan and Wei, Hong-Qing and Zhang, Xiao-Qin and Shen, Dong-Xu and Qiao, Jun-Qin and Lian, Hong-Zhen and Xie, Dai-Qian and Ge, Xin},\n\tyear = {2015},\n\tpages = {262--272},\n}\n\n\n\n
\n
\n\n\n
\n In this paper, a strong halogen bond (XB) donor (iodine) and photoinduced electron transfer (PET) molecule (ciprofloxacin, Cip) were selected with the objective to investigate halogen bonding under weakly alkaline conditions. A series of experimental characterization techniques was employed to elucidate the interaction mechanism of the XB, in combination with theoretical calculations. It is found that new UV-Vis absorption peaks and the fluorescence enhancement with the mixing of Cip and iodine are attributed to the disruption of the PET charge separation process through the halogen bonding interaction. The 2:1 stoichiometry of the XB complex (I2:Cip) was attested using a modified Benesi-Hildebrand method. 1H NMR spectra showed that the iodine molecule can interact with three nitrogen atoms of Cip to form three XBs. FT-IR spectra indicated that the nitrogen atom of the imino group is the preferential interaction site of the XB. Notably, direct analysis in real time-mass spectrometry (DART-MS) gave a distinct quasi-molecular ion of the supramolecular complex (Cip + I) in solution. Meanwhile, density functional theory (DFT), taking into account the dispersion energy, revealed that the formation of an I⋯N XB not only disrupts the PET charge separation process of Cip to enhance fluorescence but also induces the cleavage of an iodine molecule (I-I) to produce a triiodine anion (I3 -) XB. This explained why I3 - was observed in UV-Vis and DART-MS as well as in the crystal, and how the fourth iodine atom involved in the self-assembly of the XB existed stably. Moreover, a developed optosensor based on halogen bonding has been successfully used to analyze commercial Cip·HCl capsules, suggesting the potential applicability of halogen bonding in real pharmaceutical analyses.\n
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\n \n\n \n \n \n \n \n \n Rapid screening and distribution of bioactive compounds in different parts of Berberis petiolaris using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Singh, A.; Bajpai, V.; Srivastava, M.; Arya, K. R.; and Kumar, B.\n\n\n \n\n\n\n Journal of Pharmaceutical Analysis, 5(5): 332–335. October 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{singh_rapid_2015,\n\ttitle = {Rapid screening and distribution of bioactive compounds in different parts of {Berberis} petiolaris using direct analysis in real time mass spectrometry},\n\tvolume = {5},\n\tissn = {20951779},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S2095177915000520},\n\tdoi = {10.1016/j.jpha.2015.05.002},\n\tabstract = {Berberis petiolaris Wall. ex G. Don, an unexplored medicinal plant belonging to the family Berberidaceae, is a large deciduous shrub found in Western Himalaya between 1800–3000 m. Chemical profiling of fruit, leaf, root and stem was done by direct analysis in real time mass spectrometry followed by multivariate analysis for discrimination among the plant parts. The bioactive compounds, including magnoflorine, berberine, jatrorrhizine, thalifendine/berberrubine, demethyleneberberine, reticuline, 8-oxoberberine, N-methyltetrahydroberberine, tetrahydropalmatine, tetrahydroberberine and palmatine, were identified by their exact mass measurement and the corresponding molecular formula of each compound. A comparative study of distribution pattern for all these bioactive alkaloids showed qualitative and quantitative variations in different parts of B. petiolaris. Principal component analysis clearly discriminated each part of B. petiolaris plant.},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Pharmaceutical Analysis},\n\tauthor = {Singh, Awantika and Bajpai, Vikas and Srivastava, Mukesh and Arya, Kamal Ram and Kumar, Brijesh},\n\tmonth = oct,\n\tyear = {2015},\n\tpages = {332--335},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Berberis petiolaris Wall. ex G. Don, an unexplored medicinal plant belonging to the family Berberidaceae, is a large deciduous shrub found in Western Himalaya between 1800–3000 m. Chemical profiling of fruit, leaf, root and stem was done by direct analysis in real time mass spectrometry followed by multivariate analysis for discrimination among the plant parts. The bioactive compounds, including magnoflorine, berberine, jatrorrhizine, thalifendine/berberrubine, demethyleneberberine, reticuline, 8-oxoberberine, N-methyltetrahydroberberine, tetrahydropalmatine, tetrahydroberberine and palmatine, were identified by their exact mass measurement and the corresponding molecular formula of each compound. A comparative study of distribution pattern for all these bioactive alkaloids showed qualitative and quantitative variations in different parts of B. petiolaris. Principal component analysis clearly discriminated each part of B. petiolaris plant.\n
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\n \n\n \n \n \n \n \n \n Differentiation of Disaccharide Isomers by Temperature-Dependent In-Source Decay (TDISD) and DART-Q-TOF MS/MS.\n \n \n \n \n\n\n \n Yang, H.; Shi, L.; Yao, W.; Wang, Y.; Huang, L.; Wan, D.; and Liu, S.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 26(9): 1599–1605. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DifferentiationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{yang_differentiation_2015,\n\ttitle = {Differentiation of {Disaccharide} {Isomers} by {Temperature}-{Dependent} {In}-{Source} {Decay} ({TDISD}) and {DART}-{Q}-{TOF} {MS}/{MS}},\n\tvolume = {26},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-015-1192-0},\n\tdoi = {10.1007/s13361-015-1192-0},\n\tabstract = {Helium direct analysis in real time (He-DART) mass spectrometry (MS) of some compounds, polysaccharides, for example, usually tends to be challenging because of the occurrence of prominent in-source decay (ISD), which was considered as an undesired side reaction, as it complicated the resulting mass spectra. Our approach is to take advantage of an efficient and practical method termed the temperature-dependent ISD (TDISD) technique combined with fragmentation of the dehydrated dimers using DART Q-TOF tandem mass spectrometry for differentiation of disaccharide isomers. In this study, cross-ring cleavages and non-ovalent complexes were detected in the spectra of the saccharides. It was observed that the gas heater temperature had a significant effect on the absence or presence of signal in DART spectra. At high gas temperature, ions in high mass region began to appear. Based on the types of cross-ring cleavages and noncovalent complexes, disaccharide isomers with different linkage positions can be differentiated in both positive and negative ion modes at a lower DART gas temperature. Additionally, anomeric configurations were assigned on the basis of the relative abundance ratio of m/z 198:342 obtained by the comparison of the positive ion mode tandem mass spectrum of an α isomer dimer generated at higher DART gas temperature and that of the corresponding β one. In general, this method is easy, fast, effective, and robust for identifying disaccharide isomers.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-29},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Yang, Hongmei and Shi, Lei and Yao, Wenbin and Wang, Yang and Huang, Liang and Wan, Debin and Liu, Shuying},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {1599--1605},\n}\n\n\n\n
\n
\n\n\n
\n Helium direct analysis in real time (He-DART) mass spectrometry (MS) of some compounds, polysaccharides, for example, usually tends to be challenging because of the occurrence of prominent in-source decay (ISD), which was considered as an undesired side reaction, as it complicated the resulting mass spectra. Our approach is to take advantage of an efficient and practical method termed the temperature-dependent ISD (TDISD) technique combined with fragmentation of the dehydrated dimers using DART Q-TOF tandem mass spectrometry for differentiation of disaccharide isomers. In this study, cross-ring cleavages and non-ovalent complexes were detected in the spectra of the saccharides. It was observed that the gas heater temperature had a significant effect on the absence or presence of signal in DART spectra. At high gas temperature, ions in high mass region began to appear. Based on the types of cross-ring cleavages and noncovalent complexes, disaccharide isomers with different linkage positions can be differentiated in both positive and negative ion modes at a lower DART gas temperature. Additionally, anomeric configurations were assigned on the basis of the relative abundance ratio of m/z 198:342 obtained by the comparison of the positive ion mode tandem mass spectrum of an α isomer dimer generated at higher DART gas temperature and that of the corresponding β one. In general, this method is easy, fast, effective, and robust for identifying disaccharide isomers.\n
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\n \n\n \n \n \n \n \n \n Using non-targeted direct analysis in real time-mass spectrometry (DART-MS) to discriminate seeds based on endogenous or exogenous chemicals.\n \n \n \n \n\n\n \n Subbaraj, A. K.; Barrett, B. A.; Wakelin, S. A.; and Fraser, K.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 407(26): 8047–8058. October 2015.\n \n\n\n\n
\n\n\n\n \n \n \"UsingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{subbaraj_using_2015,\n\ttitle = {Using non-targeted direct analysis in real time-mass spectrometry ({DART}-{MS}) to discriminate seeds based on endogenous or exogenous chemicals},\n\tvolume = {407},\n\tissn = {1618-2642, 1618-2650},\n\turl = {http://link.springer.com/10.1007/s00216-015-8977-7},\n\tdoi = {10.1007/s00216-015-8977-7},\n\tabstract = {Forage seeds are a highly traded agricultural commodity, and therefore, quality control and assurance is high priority. In this study, we have used direct analysis in real time-mass spectrometry (DART-MS) as a tool to discriminate forage seeds based on their non-targeted chemical profiles. In the first experiment, two lots of perennial ryegrass (Lolium perenne L.) seed were discriminated based on exogenous residues of N-(3, 4-dichlorophenyl)-N,N-dimethylurea (DiuronTM), a herbicide. In a separate experiment, washed and unwashed seeds of the forage legumes white clover (Trifolium repens L.) and alfalfa (Medicago sativa L.) were discriminated based on the presence or absence of oxylipins, a class of endogenous antimicrobial compounds. Unwashed seeds confer toxicity towards symbiotic, nitrogen-fixing rhizobia which are routinely coated on legume seeds before planting, resulting in reduced rhizobial count. This is the first report of automatic introduction of intact seeds in the DART ion source and detecting oxylipins using DART-MS. Apart from providing scope to investigate legume-rhizobia symbiosis further in the context of oxylipins, the results presented here will enable future studies aimed at classification of seeds based on chemicals bound to the seed coat, thereby offering an efficient screening device for industry.},\n\tlanguage = {en},\n\tnumber = {26},\n\turldate = {2016-01-29},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Subbaraj, Arvind K. and Barrett, Brent A. and Wakelin, Steve A. and Fraser, Karl},\n\tmonth = oct,\n\tyear = {2015},\n\tpages = {8047--8058},\n}\n\n\n\n
\n
\n\n\n
\n Forage seeds are a highly traded agricultural commodity, and therefore, quality control and assurance is high priority. In this study, we have used direct analysis in real time-mass spectrometry (DART-MS) as a tool to discriminate forage seeds based on their non-targeted chemical profiles. In the first experiment, two lots of perennial ryegrass (Lolium perenne L.) seed were discriminated based on exogenous residues of N-(3, 4-dichlorophenyl)-N,N-dimethylurea (DiuronTM), a herbicide. In a separate experiment, washed and unwashed seeds of the forage legumes white clover (Trifolium repens L.) and alfalfa (Medicago sativa L.) were discriminated based on the presence or absence of oxylipins, a class of endogenous antimicrobial compounds. Unwashed seeds confer toxicity towards symbiotic, nitrogen-fixing rhizobia which are routinely coated on legume seeds before planting, resulting in reduced rhizobial count. This is the first report of automatic introduction of intact seeds in the DART ion source and detecting oxylipins using DART-MS. Apart from providing scope to investigate legume-rhizobia symbiosis further in the context of oxylipins, the results presented here will enable future studies aimed at classification of seeds based on chemicals bound to the seed coat, thereby offering an efficient screening device for industry.\n
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\n \n\n \n \n \n \n \n \n Aerogel dust collection for in situ mass spectrometry analysis.\n \n \n \n \n\n\n \n Jones, S.; Anderson, M.; Davies, A.; Kirby, J.; Burchell, M.; and Cole, M.\n\n\n \n\n\n\n Icarus, 247: 71–76. February 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AerogelPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jones_aerogel_2015,\n\ttitle = {Aerogel dust collection for in situ mass spectrometry analysis},\n\tvolume = {247},\n\tissn = {00191035},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0019103514005223},\n\tdoi = {10.1016/j.icarus.2014.09.047},\n\tabstract = {The current technique for conducting in situ mass spectroscopic analysis of dust around extraterrestrial bodies is to have the dust impact a solid plate and analyze the atoms and molecular fragments resulting from the high speed impact. Due to the fact that the kinetic energy from the impact is converted primarily to thermal energy, much of the organic compounds present in the dust may be significantly altered or destroyed. To avoid this problem, aerogel could be used to capture the dust grains, largely intact, maintaining the integrity of the organic compounds in the interior of the dust grains. To demonstrate that organic molecules, present as minor components of silica particles, would survive hypervelocity capture in aerogel and can then be analyzed with mass spectrometry, several light gas gun impact tests and analyses were conducted. Fine particles containing polycyclic aromatic hydrocarbons (PAHs) were captured in aerogel at 5.5kms-1. The flow of metastable helium from a Direct Analysis Real Time (DART) source was used to desorb and ionize the organics, which were then analyzed with a mass spectrometer. The PAHs were detected and identified by the DART-MS, demonstrating that this method could be used on future flight instruments.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Icarus},\n\tauthor = {Jones, S.M. and Anderson, M.S. and Davies, A.G. and Kirby, J.P. and Burchell, M.J. and Cole, M.J.},\n\tmonth = feb,\n\tyear = {2015},\n\tpages = {71--76},\n}\n\n\n\n
\n
\n\n\n
\n The current technique for conducting in situ mass spectroscopic analysis of dust around extraterrestrial bodies is to have the dust impact a solid plate and analyze the atoms and molecular fragments resulting from the high speed impact. Due to the fact that the kinetic energy from the impact is converted primarily to thermal energy, much of the organic compounds present in the dust may be significantly altered or destroyed. To avoid this problem, aerogel could be used to capture the dust grains, largely intact, maintaining the integrity of the organic compounds in the interior of the dust grains. To demonstrate that organic molecules, present as minor components of silica particles, would survive hypervelocity capture in aerogel and can then be analyzed with mass spectrometry, several light gas gun impact tests and analyses were conducted. Fine particles containing polycyclic aromatic hydrocarbons (PAHs) were captured in aerogel at 5.5kms-1. The flow of metastable helium from a Direct Analysis Real Time (DART) source was used to desorb and ionize the organics, which were then analyzed with a mass spectrometer. The PAHs were detected and identified by the DART-MS, demonstrating that this method could be used on future flight instruments.\n
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\n \n\n \n \n \n \n \n \n Rapid detection of sugar alcohol precursors and corresponding nitrate ester explosives using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Sisco, E.; and Forbes, T. P.\n\n\n \n\n\n\n The Analyst, 140(8): 2785–2796. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sisco_rapid_2015,\n\ttitle = {Rapid detection of sugar alcohol precursors and corresponding nitrate ester explosives using direct analysis in real time mass spectrometry},\n\tvolume = {140},\n\tissn = {0003-2654, 1364-5528},\n\turl = {http://xlink.rsc.org/?DOI=C4AN02347A},\n\tdoi = {10.1039/C4AN02347A},\n\tabstract = {This work highlights the rapid detection of nitrate ester explosives and their sugar alcohol precursors by direct analysis in real time mass spectrometry (DART-MS) using an off-axis geometry. Demonstration of the effect of various parameters, such as ion polarity and in-source collision induced dissociation (CID) on the detection of these compounds is presented. Sensitivity of sugar alcohols and nitrate ester explosives was found to be greatest in negative ion mode with sensitivities ranging from hundreds of picograms to hundreds of nanograms, depending on the characteristics of the particular molecule. Altering the in-source CID potential allowed for acquisition of characteristic molecular ion spectra as well as fragmentation spectra. Additional studies were completed to identify the role of different experimental parameters on the sensitivity for these compounds. Variables that were examined included the DART gas stream temperature, the presence of a related compound (i.e., the effect of a precursor on the detection of a nitrate ester explosive), incorporation of dopant species and the role of the analysis surface. It was determined that each variable affected the response and detection of both sugar alcohols and the corresponding nitrate ester explosives. From this work, a rapid and sensitive method for the detection of individual sugar alcohols and corresponding nitrate ester explosives, or mixtures of the two, has been developed, providing a useful tool in the real-world identification of homemade explosives.},\n\tlanguage = {en},\n\tnumber = {8},\n\turldate = {2016-01-29},\n\tjournal = {The Analyst},\n\tauthor = {Sisco, Edward and Forbes, Thomas P.},\n\tyear = {2015},\n\tpages = {2785--2796},\n}\n\n\n\n
\n
\n\n\n
\n This work highlights the rapid detection of nitrate ester explosives and their sugar alcohol precursors by direct analysis in real time mass spectrometry (DART-MS) using an off-axis geometry. Demonstration of the effect of various parameters, such as ion polarity and in-source collision induced dissociation (CID) on the detection of these compounds is presented. Sensitivity of sugar alcohols and nitrate ester explosives was found to be greatest in negative ion mode with sensitivities ranging from hundreds of picograms to hundreds of nanograms, depending on the characteristics of the particular molecule. Altering the in-source CID potential allowed for acquisition of characteristic molecular ion spectra as well as fragmentation spectra. Additional studies were completed to identify the role of different experimental parameters on the sensitivity for these compounds. Variables that were examined included the DART gas stream temperature, the presence of a related compound (i.e., the effect of a precursor on the detection of a nitrate ester explosive), incorporation of dopant species and the role of the analysis surface. It was determined that each variable affected the response and detection of both sugar alcohols and the corresponding nitrate ester explosives. From this work, a rapid and sensitive method for the detection of individual sugar alcohols and corresponding nitrate ester explosives, or mixtures of the two, has been developed, providing a useful tool in the real-world identification of homemade explosives.\n
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\n \n\n \n \n \n \n \n \n Quantitative surface scanning by Direct Analysis in Real Time mass spectrometry: Quantitative surface scanning by DART-MS.\n \n \n \n \n\n\n \n Häbe, T. T.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(6): 474–484. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{habe_quantitative_2015,\n\ttitle = {Quantitative surface scanning by {Direct} {Analysis} in {Real} {Time} mass spectrometry: {Quantitative} surface scanning by {DART}-{MS}},\n\tvolume = {29},\n\tissn = {09514198},\n\tshorttitle = {Quantitative surface scanning by {Direct} {Analysis} in {Real} {Time} mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7127},\n\tdoi = {10.1002/rcm.7127},\n\tabstract = {RATIONALE Only a few ambient ionization sources have been demonstrated to work quantitatively for surface scanning. A modification of the Direct Analysis in Real Time mass spectrometry (DART-MS) interface is needed to improve the precision during the scanning of a high-performance thin-layer chromatography (HPTLC) plate or any other surface or planar substrate, especially for quantitation without an internal standard correction. METHODS The substrate movement relative to the ion source outlet and the mass spectrometer inlet was optimized to improve the desorption, ionization, and capture of analytes. The substrate carrier was mounted at an angled position, thus reducing collisions between the deflected gas stream and the inner transfer tube wall. A special transfer tube, whose edge was angled towards the substrate and allowed a narrow set-up of the ambient air gap, captured the deflected DART gas stream. RESULTS For the repeated DART-MS scanning along five identical deposited bands of butyl-4-hydroxybenzoate a mean precision of 2.7\\% was obtained. A signal decay of 62\\% was observed after five scans. After HPTLC of methyl-4-hydroxybenzoate and butyl-4-hydroxybenzoate, mean determination coefficients of 0.9937 and 0.9906 were obtained for five calibrations on five plates, respectively. The mean recovery of two control standards was 94\\% with a mean repeatability of 9\\% (\\%RSD, n = 5) obtained on five different plates. CONCLUSIONS The DART SVPA-3DS system remained compact and the access to the substrate was kept wide open despite the optimized scan lane (spatial resolution at full width at half maximum 0.8 mm, height 3 mm). The performance data showed that the quantitative surface scanning was improved as well as the desorption efficacy and detectability using this modified DART-MS interface.},\n\tlanguage = {en},\n\tnumber = {6},\n\turldate = {2016-01-28},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Häbe, Tim T. and Morlock, Gertrud E.},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {474--484},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n RATIONALE Only a few ambient ionization sources have been demonstrated to work quantitatively for surface scanning. A modification of the Direct Analysis in Real Time mass spectrometry (DART-MS) interface is needed to improve the precision during the scanning of a high-performance thin-layer chromatography (HPTLC) plate or any other surface or planar substrate, especially for quantitation without an internal standard correction. METHODS The substrate movement relative to the ion source outlet and the mass spectrometer inlet was optimized to improve the desorption, ionization, and capture of analytes. The substrate carrier was mounted at an angled position, thus reducing collisions between the deflected gas stream and the inner transfer tube wall. A special transfer tube, whose edge was angled towards the substrate and allowed a narrow set-up of the ambient air gap, captured the deflected DART gas stream. RESULTS For the repeated DART-MS scanning along five identical deposited bands of butyl-4-hydroxybenzoate a mean precision of 2.7% was obtained. A signal decay of 62% was observed after five scans. After HPTLC of methyl-4-hydroxybenzoate and butyl-4-hydroxybenzoate, mean determination coefficients of 0.9937 and 0.9906 were obtained for five calibrations on five plates, respectively. The mean recovery of two control standards was 94% with a mean repeatability of 9% (%RSD, n = 5) obtained on five different plates. CONCLUSIONS The DART SVPA-3DS system remained compact and the access to the substrate was kept wide open despite the optimized scan lane (spatial resolution at full width at half maximum 0.8 mm, height 3 mm). The performance data showed that the quantitative surface scanning was improved as well as the desorption efficacy and detectability using this modified DART-MS interface.\n
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\n \n\n \n \n \n \n \n \n Sensitivity and intensity enhancement in open air mass spectrometry assisted with a continuous wave infrared laser.\n \n \n \n \n\n\n \n Lu, Y.; Zhou, Y. S.; Qiu, W.; Huang, X.; Gao, Y.; Liu, L.; Lei, Y. T.; Zhang, T. C.; Jiang, L.; Silvain, J. F.; and Lu, Y. F.\n\n\n \n\n\n\n J. Anal. At. Spectrom., 30(7): 1663–1667. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"SensitivityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lu_sensitivity_2015,\n\ttitle = {Sensitivity and intensity enhancement in open air mass spectrometry assisted with a continuous wave infrared laser},\n\tvolume = {30},\n\tissn = {0267-9477, 1364-5544},\n\turl = {http://xlink.rsc.org/?DOI=C5JA00084J},\n\tdoi = {10.1039/C5JA00084J},\n\tabstract = {To improve signal-to-noise ratios (SNRs) in open air mass spectrometry, a laser-assisted, direct-analysis-in-real-time (DART) mass spectrometer (LA-DART-MS) was developed by integrating a continuous wave (CW) infrared (IR) laser into an open air DART-MS. The CW IR laser (wavelength of 1070 nm) was used to assist the desorption of analytes and promote the reactivity of protonated water from the DART ion source. Using the LA-DART-MS, SNRs of Rhodamine 6G (R6G), urea, and testosterone were enhanced by factors of 31, 11, and 4, respectively, compared with the conventional DART-MS. The sensitivity enhancement was ascribed to the increased analyte concentration in air and activated protonated water induced by the IR laser irradiation.},\n\tlanguage = {en},\n\tnumber = {7},\n\turldate = {2016-01-28},\n\tjournal = {J. Anal. At. Spectrom.},\n\tauthor = {Lu, Y. and Zhou, Y. S. and Qiu, W. and Huang, X. and Gao, Y. and Liu, L. and Lei, Y. T. and Zhang, T. C. and Jiang, L. and Silvain, J. F. and Lu, Y. F.},\n\tyear = {2015},\n\tpages = {1663--1667},\n}\n\n\n\n
\n
\n\n\n
\n To improve signal-to-noise ratios (SNRs) in open air mass spectrometry, a laser-assisted, direct-analysis-in-real-time (DART) mass spectrometer (LA-DART-MS) was developed by integrating a continuous wave (CW) infrared (IR) laser into an open air DART-MS. The CW IR laser (wavelength of 1070 nm) was used to assist the desorption of analytes and promote the reactivity of protonated water from the DART ion source. Using the LA-DART-MS, SNRs of Rhodamine 6G (R6G), urea, and testosterone were enhanced by factors of 31, 11, and 4, respectively, compared with the conventional DART-MS. The sensitivity enhancement was ascribed to the increased analyte concentration in air and activated protonated water induced by the IR laser irradiation.\n
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\n \n\n \n \n \n \n \n \n In Situ Analysis for Herbal Pieces of Aconitum Plants by Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Zhou, F.; Zhu, H.; Liu, S.; Ma, K.; Song, F.; and Liu, Z.\n\n\n \n\n\n\n Chinese Journal of Chemistry, 33(2): 241–246. February 2015.\n \n\n\n\n
\n\n\n\n \n \n \"InPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhou_situ_2015,\n\ttitle = {In {Situ} {Analysis} for {Herbal} {Pieces} of {Aconitum} {Plants} by {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {33},\n\tissn = {1001604X},\n\turl = {http://doi.wiley.com/10.1002/cjoc.201400692},\n\tdoi = {10.1002/cjoc.201400692},\n\tabstract = {In this study, an extend application was developed to in situ analyze the herbal pieces of Aconitum plants by Direct Analysis in Real Time Mass Spectrometry (DART-MS). Nearly all aconitine-type alkaloids can be desorbed and ionized in this method, including diester diterpenoid aconitines (DDAs), monoester diterpenoid aconitines (MDAs) and some other diterpenoid aconitines. The spectra of in situ analysis for the herbal pieces of aconitum plants are similar with that of their extracts. Radix Aconiti and Radix Aconiti Kusnezoffii can be distinguished from each other by the intensity differences of character fragment ions from MDAs, such as m/z 586, 572, and 556. The qualified and unqualified herbal pieces can be also identified by the relative abundances of DDAs. The RSD of the relative abundances of some character ions at m/z 556, 586, and 590 were 13.53\\%, 4.03\\%, and 12.03\\%, respectively. So this in situ analytical method can identify both the types of Aconitum preparata and their quality. It provides the following advantages in the analysis of Chinese herbs: fast detection without much pretreatment, high-throughput analysis, and reduction of pollution without any organic solvent.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-01-28},\n\tjournal = {Chinese Journal of Chemistry},\n\tauthor = {Zhou, Feng and Zhu, Hongbin and Liu, Shu and Ma, Kang and Song, Fengrui and Liu, Zhiqiang},\n\tmonth = feb,\n\tyear = {2015},\n\tpages = {241--246},\n}\n\n\n\n
\n
\n\n\n
\n In this study, an extend application was developed to in situ analyze the herbal pieces of Aconitum plants by Direct Analysis in Real Time Mass Spectrometry (DART-MS). Nearly all aconitine-type alkaloids can be desorbed and ionized in this method, including diester diterpenoid aconitines (DDAs), monoester diterpenoid aconitines (MDAs) and some other diterpenoid aconitines. The spectra of in situ analysis for the herbal pieces of aconitum plants are similar with that of their extracts. Radix Aconiti and Radix Aconiti Kusnezoffii can be distinguished from each other by the intensity differences of character fragment ions from MDAs, such as m/z 586, 572, and 556. The qualified and unqualified herbal pieces can be also identified by the relative abundances of DDAs. The RSD of the relative abundances of some character ions at m/z 556, 586, and 590 were 13.53%, 4.03%, and 12.03%, respectively. So this in situ analytical method can identify both the types of Aconitum preparata and their quality. It provides the following advantages in the analysis of Chinese herbs: fast detection without much pretreatment, high-throughput analysis, and reduction of pollution without any organic solvent.\n
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\n \n\n \n \n \n \n \n \n Rapid analysis of four Sudan dyes using direct analysis in real time-mass spectrometry.\n \n \n \n \n\n\n \n Li, Z.; Zhang, Y.; Zhang, Y.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Anal. Methods, 7(1): 86–90. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_rapid_2015,\n\ttitle = {Rapid analysis of four {Sudan} dyes using direct analysis in real time-mass spectrometry},\n\tvolume = {7},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C4AY02409E},\n\tdoi = {10.1039/C4AY02409E},\n\tabstract = {A simple direct analysis in a real time-mass spectrometry (DART-MS) method was developed for the rapid determination of four Sudan dyes (I-IV) in chili powder. Simple liquid extraction by hexane without further clean-up was used for sample preparation. DART parameters were systematically optimized to achieve the best detection performance. A DIP-it sampler was used for automatic sampling. The matrix effect was measured by comparing the limit of detection (LOD) in matrix solution with that in pure organic solution. Eventually, the identification of the Sudan dyes was confirmed by MS/MS results and the LODs for four analytes in matrix solution were ∼0.5 μg mL-1. The method showed good linearity with correlation coefficients (R2) greater than 0.99 for concentrations ranging from 1 to 20 μg mL-1. The whole analytical process could be completed within 15 minutes with good recoveries (88-116\\%) and satisfactory repeatability ({\\textless}26\\%, n = 3).},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Anal. Methods},\n\tauthor = {Li, Ze and Zhang, Yi-Wei and Zhang, Yi-Ding and Bai, Yu and Liu, Hu-Wei},\n\tyear = {2015},\n\tpages = {86--90},\n}\n\n\n\n
\n
\n\n\n
\n A simple direct analysis in a real time-mass spectrometry (DART-MS) method was developed for the rapid determination of four Sudan dyes (I-IV) in chili powder. Simple liquid extraction by hexane without further clean-up was used for sample preparation. DART parameters were systematically optimized to achieve the best detection performance. A DIP-it sampler was used for automatic sampling. The matrix effect was measured by comparing the limit of detection (LOD) in matrix solution with that in pure organic solution. Eventually, the identification of the Sudan dyes was confirmed by MS/MS results and the LODs for four analytes in matrix solution were ∼0.5 μg mL-1. The method showed good linearity with correlation coefficients (R2) greater than 0.99 for concentrations ranging from 1 to 20 μg mL-1. The whole analytical process could be completed within 15 minutes with good recoveries (88-116%) and satisfactory repeatability (\\textless26%, n = 3).\n
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\n \n\n \n \n \n \n \n \n Simultaneous determination of 3-chlorotyrosine and 3-nitrotyrosine in human plasma by direct analysis in real time–tandem mass spectrometry.\n \n \n \n \n\n\n \n Song, Y.; Liao, J.; Zha, C.; Wang, B.; and Liu, C. C.\n\n\n \n\n\n\n Acta Pharmaceutica Sinica B, 5(5): 482–486. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"SimultaneousPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{song_simultaneous_2015,\n\ttitle = {Simultaneous determination of 3-chlorotyrosine and 3-nitrotyrosine in human plasma by direct analysis in real time–tandem mass spectrometry},\n\tvolume = {5},\n\tissn = {22113835},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S2211383515001082},\n\tdoi = {10.1016/j.apsb.2015.07.004},\n\tabstract = {A novel method for the simultaneous determination of 3-nitrotyrosine (NT) and 3-chlorotyrosine (CT) in human plasma has been developed based on direct analysis in real time-tandem mass spectrometry (DART-MS/MS). Analysis was performed in the positive ionization mode using multiple reaction monitoring (MRM) of the ion transitions at m/z 216.2/170.1 for CT, m/z 227.2/181.1 for NT and m/z 230.2/184.2 for the internal standard, d3-NT. The assay was linear in the ranges 0.5-100μg/mL for CT and 4-100μg/mL for NT with corresponding limits of detection of 0.2 and 2μg/mL. Intra- and inter-day precisions and accuracies were respectively {\\textless}15\\% and ±15\\%. Matrix effects were also evaluated. The method is potentially useful for high throughput analysis although sensitivity needs to be improved before it can be applied in clinical research.},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-01-28},\n\tjournal = {Acta Pharmaceutica Sinica B},\n\tauthor = {Song, Yuqiao and Liao, Jie and Zha, Cheng and Wang, Bin and Liu, Charles C.},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {482--486},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n A novel method for the simultaneous determination of 3-nitrotyrosine (NT) and 3-chlorotyrosine (CT) in human plasma has been developed based on direct analysis in real time-tandem mass spectrometry (DART-MS/MS). Analysis was performed in the positive ionization mode using multiple reaction monitoring (MRM) of the ion transitions at m/z 216.2/170.1 for CT, m/z 227.2/181.1 for NT and m/z 230.2/184.2 for the internal standard, d3-NT. The assay was linear in the ranges 0.5-100μg/mL for CT and 4-100μg/mL for NT with corresponding limits of detection of 0.2 and 2μg/mL. Intra- and inter-day precisions and accuracies were respectively \\textless15% and ±15%. Matrix effects were also evaluated. The method is potentially useful for high throughput analysis although sensitivity needs to be improved before it can be applied in clinical research.\n
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\n \n\n \n \n \n \n \n \n Microfabrication, separations, and detection by mass spectrometry on ultrathin-layer chromatography plates prepared via the low-pressure chemical vapor deposition of silicon nitride onto carbon nanotube templates.\n \n \n \n \n\n\n \n Kanyal, S. S.; Häbe, T. T.; Cushman, C. V.; Dhunna, M.; Roychowdhury, T.; Farnsworth, P. B.; Morlock, G. E.; and Linford, M. R.\n\n\n \n\n\n\n Journal of Chromatography A, 1404: 115–123. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"Microfabrication,Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{kanyal_microfabrication_2015,\n\ttitle = {Microfabrication, separations, and detection by mass spectrometry on ultrathin-layer chromatography plates prepared via the low-pressure chemical vapor deposition of silicon nitride onto carbon nanotube templates},\n\tvolume = {1404},\n\tissn = {00219673},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0021967315007633},\n\tdoi = {10.1016/j.chroma.2015.05.053},\n\tabstract = {Microfabrication of ultrathin-layer chromatography (UTLC) plates via conformal deposition of silicon nitride by low-pressure chemical vapor deposition onto patterned carbon nanotube (CNT) scaffolds was demonstrated. After removal of the CNTs and hydroxylation, the resulting UTLC phase showed no expansion or distortion of their microfeatures and the absence/reduction of remaining nitrogenic species. Developing time of a mixture of lipophilic dyes on this UTLC plates was 86\\% shorter than on high-performance thin-layer chromatography (HPTLC) plates. A water-soluble food dye mixture was also separated resulting in low band broadening and reduced developing time compared to HPTLC. For the latter example, mobile phase optimization on a single UTLC plate consisted of 14 developments with different mobile phases, each preceded by a plate prewashing step. The same plate was again reused for additional 11 separations under varying conditions resulting in a development procedure with a mean separation efficiency of 233,000. theoretical plates/m and a reduced mobile phase consumption of only 400. μL. This repeated use proved the physical robustness of the ultrathin layer and its resistance to damage. The layer was highly suited for hyphenation to ambient mass spectrometry, including desorption electrospray ionization (DESI) mass spectrometry imaging and direct analysis in real time (DART) mass spectrometry.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Kanyal, Supriya S. and Häbe, Tim T. and Cushman, Cody V. and Dhunna, Manan and Roychowdhury, Tuhin and Farnsworth, Paul B. and Morlock, Gertrud E. and Linford, Matthew. R.},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {115--123},\n}\n\n\n\n
\n
\n\n\n
\n Microfabrication of ultrathin-layer chromatography (UTLC) plates via conformal deposition of silicon nitride by low-pressure chemical vapor deposition onto patterned carbon nanotube (CNT) scaffolds was demonstrated. After removal of the CNTs and hydroxylation, the resulting UTLC phase showed no expansion or distortion of their microfeatures and the absence/reduction of remaining nitrogenic species. Developing time of a mixture of lipophilic dyes on this UTLC plates was 86% shorter than on high-performance thin-layer chromatography (HPTLC) plates. A water-soluble food dye mixture was also separated resulting in low band broadening and reduced developing time compared to HPTLC. For the latter example, mobile phase optimization on a single UTLC plate consisted of 14 developments with different mobile phases, each preceded by a plate prewashing step. The same plate was again reused for additional 11 separations under varying conditions resulting in a development procedure with a mean separation efficiency of 233,000. theoretical plates/m and a reduced mobile phase consumption of only 400. μL. This repeated use proved the physical robustness of the ultrathin layer and its resistance to damage. The layer was highly suited for hyphenation to ambient mass spectrometry, including desorption electrospray ionization (DESI) mass spectrometry imaging and direct analysis in real time (DART) mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Evaluation of ice-tea quality by DART-TOF/MS: Evaluation of ice-tea quality by DART-TOF/MS.\n \n \n \n \n\n\n \n Rajchl, A.; Prchalová, J.; Kružík, V.; Ševčík, R.; and Čížková, H.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 50(11): 1214–1221. November 2015.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{rajchl_evaluation_2015,\n\ttitle = {Evaluation of ice-tea quality by {DART}-{TOF}/{MS}: {Evaluation} of ice-tea quality by {DART}-{TOF}/{MS}},\n\tvolume = {50},\n\tissn = {10765174},\n\tshorttitle = {Evaluation of ice-tea quality by {DART}-{TOF}/{MS}},\n\turl = {http://doi.wiley.com/10.1002/jms.3639},\n\tdoi = {10.1002/jms.3639},\n\tabstract = {DART (Direct Analysis in Real Time) coupled with Time-of-Flight Mass Spectrometry (TOF/MS) has been used for analyses of ice-teas. The article focuses on quality and authenticity of ice-teas as one of the most important tea-based products on the market. Twenty-one samples of ice-teas (black and green) were analysed. Selected compounds of ice-teas were determined: theobromine, caffeine, total phenolic compounds, total soluble solids, total amino acid concentration, preservatives and saccharides were determined. Fingerprints of DART-TOF/MS spectra were used for comprehensive assessment of the ice-tea samples. The DART-TOF/MS method was used for monitoring the following compounds: citric acid, caffeine, saccharides, artificial sweeteners (saccharin, acesulphame K), and preservatives (sorbic and benzoic acid), phosphoric acid and phenolic compounds. The measured data were subjected to a principal components analysis. The HPLC and DART-TOF/MS methods were compared in terms of determination of selected compounds (caffeine, benzoic acid, sorbic acid and saccharides) in the ice-teas. The DART-TOF/MS technique seems to be a suitable method for fast screening, testing quality and authenticity of tea-based products.},\n\tlanguage = {en},\n\tnumber = {11},\n\turldate = {2016-01-29},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Rajchl, Aleš and Prchalová, Jana and Kružík, Vojtěch and Ševčík, Rudolf and Čížková, Helena},\n\tmonth = nov,\n\tyear = {2015},\n\tpages = {1214--1221},\n}\n\n\n\n
\n
\n\n\n
\n DART (Direct Analysis in Real Time) coupled with Time-of-Flight Mass Spectrometry (TOF/MS) has been used for analyses of ice-teas. The article focuses on quality and authenticity of ice-teas as one of the most important tea-based products on the market. Twenty-one samples of ice-teas (black and green) were analysed. Selected compounds of ice-teas were determined: theobromine, caffeine, total phenolic compounds, total soluble solids, total amino acid concentration, preservatives and saccharides were determined. Fingerprints of DART-TOF/MS spectra were used for comprehensive assessment of the ice-tea samples. The DART-TOF/MS method was used for monitoring the following compounds: citric acid, caffeine, saccharides, artificial sweeteners (saccharin, acesulphame K), and preservatives (sorbic and benzoic acid), phosphoric acid and phenolic compounds. The measured data were subjected to a principal components analysis. The HPLC and DART-TOF/MS methods were compared in terms of determination of selected compounds (caffeine, benzoic acid, sorbic acid and saccharides) in the ice-teas. The DART-TOF/MS technique seems to be a suitable method for fast screening, testing quality and authenticity of tea-based products.\n
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\n \n\n \n \n \n \n \n \n Comparison of the applicability of mass spectrometer ion sources using a polarity-molecular weight scattergram with a 600 sample in-house chemical library.\n \n \n \n \n\n\n \n Sugimura, N.; Furuya, A.; Yatsu, T.; and Shibue, T.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 21(2): 91. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"ComparisonPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sugimura_comparison_2015,\n\ttitle = {Comparison of the applicability of mass spectrometer ion sources using a polarity-molecular weight scattergram with a 600 sample in-house chemical library},\n\tvolume = {21},\n\tissn = {1356-1049},\n\turl = {http://www.impublications.com/content/abstract?code=E21_0091},\n\tdoi = {10.1255/ejms.1345},\n\tabstract = {To provide a practical guideline for the selection of a mass spectrometer ion source, we compared the applicability of three types of ion source: direct analysis in real time (DART), electrospray ionization (ESI) and fast atom bombardment (FAB), using an in-house high-resolution mass spectrometry sample library consisting of approximately 600 compounds. The great majority of the compounds (92\\%), whose molecular weights (MWs) were broadly distributed between 150 and 1000, were detected using all the ion sources. Nevertheless, some compounds were not detected using specific ion sources. The use of FAB resulted in the highest sample detection rate ({\\textgreater}98\\%), whereas the detection rates obtained using DART and ESI were slightly lower ({\\textgreater}96\\%). A scattergram constructed using MW and topological polar surface area (tPSA) as a substitute for molecular polarity showed that the performance of ESI was weak in the low-MW ({\\textless}400), low-polarity (tPSA {\\textless} 60) area, whereas the performance of DART was weak in the high-MW ({\\textgreater}800) area. These results might provide guidelines for the selection of ion sources for inexperienced mass spectrometry users.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-01-28},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Sugimura, Natsuhiko and Furuya, Asami and Yatsu, Takahiro and Shibue, Toshimichi},\n\tyear = {2015},\n\tpages = {91},\n}\n\n\n\n
\n
\n\n\n
\n To provide a practical guideline for the selection of a mass spectrometer ion source, we compared the applicability of three types of ion source: direct analysis in real time (DART), electrospray ionization (ESI) and fast atom bombardment (FAB), using an in-house high-resolution mass spectrometry sample library consisting of approximately 600 compounds. The great majority of the compounds (92%), whose molecular weights (MWs) were broadly distributed between 150 and 1000, were detected using all the ion sources. Nevertheless, some compounds were not detected using specific ion sources. The use of FAB resulted in the highest sample detection rate (\\textgreater98%), whereas the detection rates obtained using DART and ESI were slightly lower (\\textgreater96%). A scattergram constructed using MW and topological polar surface area (tPSA) as a substitute for molecular polarity showed that the performance of ESI was weak in the low-MW (\\textless400), low-polarity (tPSA \\textless 60) area, whereas the performance of DART was weak in the high-MW (\\textgreater800) area. These results might provide guidelines for the selection of ion sources for inexperienced mass spectrometry users.\n
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\n\n\n
\n \n\n \n \n \n \n \n \n Detection of “Bath Salt” Synthetic Cathinones and Metabolites in Urine via DART-MS and Solid Phase Microextraction.\n \n \n \n \n\n\n \n LaPointe, J.; Musselman, B.; O’Neill, T.; and Shepard, J. R. E.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 26(1): 159–165. January 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lapointe_detection_2015,\n\ttitle = {Detection of “{Bath} {Salt}” {Synthetic} {Cathinones} and {Metabolites} in {Urine} via {DART}-{MS} and {Solid} {Phase} {Microextraction}},\n\tvolume = {26},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-014-1006-9},\n\tdoi = {10.1007/s13361-014-1006-9},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {LaPointe, Joseph and Musselman, Brian and O’Neill, Teresa and Shepard, Jason R. E.},\n\tmonth = jan,\n\tyear = {2015},\n\tpages = {159--165},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n\n\n
\n \n\n \n \n \n \n \n \n Ambient Ionization Techniques.\n \n \n \n \n\n\n \n Farré, M.; and Barceló, D.\n\n\n \n\n\n\n In Comprehensive Analytical Chemistry, volume 68, pages 245–273. Elsevier, 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{farre_ambient_2015,\n\ttitle = {Ambient {Ionization} {Techniques}},\n\tvolume = {68},\n\tisbn = {978-0-444-63340-8},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/B9780444633408000042},\n\tabstract = {The Food Authorities are intensifying their efforts to assess the risks to human health from the exposure to (natural and anthropogenic) food contaminants. Therefore, regular surveillance studies are required to monitor the increasing number of toxicant residues in food. In this sense, an essential component is the development of new analytical approaches to reduce sample manipulation time and analysis costs without compromising the reliability of the results.This chapter will assess the prospects of the different ambient ionization techniques such as the direct analysis in real time (DART), desorption atmospheric pressure chemical ionization (DAPCI), low-temperature plasma ionization (LTP), and atmospheric solids analysis probe (ASAP) coupled to various types of MS analyzers for both target and nontarget analysis of complex food matrices. The prospects of these techniques as a simple, high-throughput tool for qualitative confirmation of chemical identity; metabolomic fingerprinting/profiling; and quantification of food components are presented and discussed.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tbooktitle = {Comprehensive {Analytical} {Chemistry}},\n\tpublisher = {Elsevier},\n\tauthor = {Farré, Marinella and Barceló, Damià},\n\tyear = {2015},\n\tpages = {245--273},\n}\n\n\n\n
\n
\n\n\n
\n The Food Authorities are intensifying their efforts to assess the risks to human health from the exposure to (natural and anthropogenic) food contaminants. Therefore, regular surveillance studies are required to monitor the increasing number of toxicant residues in food. In this sense, an essential component is the development of new analytical approaches to reduce sample manipulation time and analysis costs without compromising the reliability of the results.This chapter will assess the prospects of the different ambient ionization techniques such as the direct analysis in real time (DART), desorption atmospheric pressure chemical ionization (DAPCI), low-temperature plasma ionization (LTP), and atmospheric solids analysis probe (ASAP) coupled to various types of MS analyzers for both target and nontarget analysis of complex food matrices. The prospects of these techniques as a simple, high-throughput tool for qualitative confirmation of chemical identity; metabolomic fingerprinting/profiling; and quantification of food components are presented and discussed.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry: a Powerful Tool for Fast Analysis.\n \n \n \n \n\n\n \n Li, X.; Wang, X.; Li, L.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Mass Spectrometry Letters, 6(1): 1–6. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_direct_2015,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry}: a {Powerful} {Tool} for {Fast} {Analysis}},\n\tvolume = {6},\n\tissn = {2233-4203},\n\tshorttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\turl = {http://koreascience.or.kr/journal/view.jsp?kj=E1MPSV&py=2015&vnc=v6n1&sp=1},\n\tdoi = {10.5478/MSL.2015.6.1.1},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) is one of the variants of ambient mass spectrometry. The ionization process of DART-MS is in open environment and only takes few seconds, so it is suitable for fast analysis. Actually, since its introduction in 2005, more and more attentions have been drawn to its various applications due to its excellent properties, e.g., fast analysis, and no or less sample preparation, high salt tolerance and so on. This review summarized the promising features of DART-MS, including its ionization mechanism, equipment modification, wide applications, coupling techniques and extraction strategies before analysis.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Mass Spectrometry Letters},\n\tauthor = {Li, Xianjiang and Wang, Xin and Li, Linnan and Bai, Yu and Liu, Huwei},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {1--6},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) is one of the variants of ambient mass spectrometry. The ionization process of DART-MS is in open environment and only takes few seconds, so it is suitable for fast analysis. Actually, since its introduction in 2005, more and more attentions have been drawn to its various applications due to its excellent properties, e.g., fast analysis, and no or less sample preparation, high salt tolerance and so on. This review summarized the promising features of DART-MS, including its ionization mechanism, equipment modification, wide applications, coupling techniques and extraction strategies before analysis.\n
\n\n\n
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\n \n\n \n \n \n \n \n \n Quantification of patulin in fruit leathers by ultra-high-performance liquid chromatography-photodiode array (UPLC-PDA).\n \n \n \n \n\n\n \n Maragos, C. M.; Busman, M.; Ma, L.; and Bobell, J.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 32(7): 1164–1174. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"QuantificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{maragos_quantification_2015,\n\ttitle = {Quantification of patulin in fruit leathers by ultra-high-performance liquid chromatography-photodiode array ({UPLC}-{PDA})},\n\tvolume = {32},\n\tissn = {1944-0049, 1944-0057},\n\turl = {http://www.tandfonline.com/doi/full/10.1080/19440049.2015.1036383},\n\tdoi = {10.1080/19440049.2015.1036383},\n\tabstract = {Patulin is a mycotoxin commonly found in certain fruit and fruit products. For this reason many countries have established regulatory limits pertaining to, in particular, apple juice and apple products. Fruit leathers are produced by dehydrating fruit puree, leaving a sweet product that has a leathery texture. A recent report in the literature described the detection of patulin at substantial levels in fruit leathers. To investigate this further, an ultra-high-performance liquid chromatography-photodiode array (UPLC-PDA) method was developed for the sensitive detection of patulin in fruit leathers. Investigations were also made of the suitability of direct analysis in real time-mass spectrometry (DART-MS) for detection of patulin from the surface of fruit leathers. Results indicated DART-MS was insufficiently sensitive for quantification from the surface of home-style apple leathers, although patulin spiked onto the surface of leather or peel could be detected. The UPLC-PDA method was used to determine the fate of patulin during the preparation of home-made fruit leathers. Interestingly, when a home-style process was used, the patulin was not destroyed, but rather increased in concentration as the puree was dehydrated. The UPLC-PDA method was also used to screen for patulin in commercial fruit leathers. Of the 36 products tested, 14 were above the limit of detection (3.5 μg kg–1) and nine were above the limit of quantification (12 μg kg–1). Positive samples were confirmed by UPLC-MS/MS. Only one sample was found above the US regulatory limit for single-strength apple juice products (50 μg kg–1). These results suggest patulin can be concentrated during preparation and can be found in fruit leathers. The limited survey suggests that patulin is fairly prevalent in such commercial products, but that the levels are usually low.},\n\tlanguage = {en},\n\tnumber = {7},\n\turldate = {2016-01-28},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Maragos, Chris M. and Busman, Mark and Ma, Liang and Bobell, John},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {1164--1174},\n}\n\n\n\n
\n
\n\n\n
\n Patulin is a mycotoxin commonly found in certain fruit and fruit products. For this reason many countries have established regulatory limits pertaining to, in particular, apple juice and apple products. Fruit leathers are produced by dehydrating fruit puree, leaving a sweet product that has a leathery texture. A recent report in the literature described the detection of patulin at substantial levels in fruit leathers. To investigate this further, an ultra-high-performance liquid chromatography-photodiode array (UPLC-PDA) method was developed for the sensitive detection of patulin in fruit leathers. Investigations were also made of the suitability of direct analysis in real time-mass spectrometry (DART-MS) for detection of patulin from the surface of fruit leathers. Results indicated DART-MS was insufficiently sensitive for quantification from the surface of home-style apple leathers, although patulin spiked onto the surface of leather or peel could be detected. The UPLC-PDA method was used to determine the fate of patulin during the preparation of home-made fruit leathers. Interestingly, when a home-style process was used, the patulin was not destroyed, but rather increased in concentration as the puree was dehydrated. The UPLC-PDA method was also used to screen for patulin in commercial fruit leathers. Of the 36 products tested, 14 were above the limit of detection (3.5 μg kg–1) and nine were above the limit of quantification (12 μg kg–1). Positive samples were confirmed by UPLC-MS/MS. Only one sample was found above the US regulatory limit for single-strength apple juice products (50 μg kg–1). These results suggest patulin can be concentrated during preparation and can be found in fruit leathers. The limited survey suggests that patulin is fairly prevalent in such commercial products, but that the levels are usually low.\n
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\n \n\n \n \n \n \n \n \n DART Fourier transform ion cyclotron resonance mass spectrometry for analysis of complex organic mixtures.\n \n \n \n \n\n\n \n Lobodin, V. V.; Nyadong, L.; Ruddy, B. M.; Curtis, M.; Jones, P. R.; Rodgers, R. P.; and Marshall, A. G.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 378: 186–192. February 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lobodin_dart_2015,\n\ttitle = {{DART} {Fourier} transform ion cyclotron resonance mass spectrometry for analysis of complex organic mixtures},\n\tvolume = {378},\n\tissn = {13873806},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1387380614003212},\n\tdoi = {10.1016/j.ijms.2014.07.050},\n\tabstract = {We report the first combination of a commercial direct analysis in real time (DART) source with FT-ICR MS and its application to analysis of complex organic mixtures. DART enables ionization of compounds with little or no sample preparation, and FT-ICR provides ultrahigh mass resolution and mass accuracy. The combination provides a rapid, robust, and reliable method for analysis of components spanning a wide range of chemical functionality. DART 9.4 T FT-ICR MS generates abundant molecular or quasimolecular ions from C60, heavy petroleum, naphthenate deposits, and biotar, without fragmentation. Moreover, we demonstrate desorption/ionization of compounds with boiling points significantly higher than the DART source temperature. DART FT-ICR MS thus offers a new and useful atmospheric pressure ionization mass spectrometry technique for analysis of complex organic mixtures.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Lobodin, Vladislav V. and Nyadong, Leonard and Ruddy, Brian M. and Curtis, Matthew and Jones, Patrick R. and Rodgers, Ryan P. and Marshall, Alan G.},\n\tmonth = feb,\n\tyear = {2015},\n\tpages = {186--192},\n}\n\n\n\n
\n
\n\n\n
\n We report the first combination of a commercial direct analysis in real time (DART) source with FT-ICR MS and its application to analysis of complex organic mixtures. DART enables ionization of compounds with little or no sample preparation, and FT-ICR provides ultrahigh mass resolution and mass accuracy. The combination provides a rapid, robust, and reliable method for analysis of components spanning a wide range of chemical functionality. DART 9.4 T FT-ICR MS generates abundant molecular or quasimolecular ions from C60, heavy petroleum, naphthenate deposits, and biotar, without fragmentation. Moreover, we demonstrate desorption/ionization of compounds with boiling points significantly higher than the DART source temperature. DART FT-ICR MS thus offers a new and useful atmospheric pressure ionization mass spectrometry technique for analysis of complex organic mixtures.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Direct analysis in real time - high resolution mass spectrometry (DART-HRMS): a high throughput strategy for identification and quantification of anabolic steroid esters: DART-HRMS: a high throughput strategy for identification and quantification of anabolic steroid esters.\n \n \n \n \n\n\n \n Doué, M.; Dervilly-Pinel, G.; Pouponneau, K.; Monteau, F.; and Le Bizec, B.\n\n\n \n\n\n\n Drug Testing and Analysis, 7(7): 603–608. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{doue_direct_2015,\n\ttitle = {Direct analysis in real time - high resolution mass spectrometry ({DART}-{HRMS}): a high throughput strategy for identification and quantification of anabolic steroid esters: {DART}-{HRMS}: a high throughput strategy for identification and quantification of anabolic steroid esters},\n\tvolume = {7},\n\tissn = {19427603},\n\tshorttitle = {Direct analysis in real time - high resolution mass spectrometry ({DART}-{HRMS})},\n\turl = {http://doi.wiley.com/10.1002/dta.1727},\n\tdoi = {10.1002/dta.1727},\n\tabstract = {High throughput screening is essential for doping, forensic, and food safety laboratories. While hyphenated chromatography-mass spectrometry (MS) remains the approach of choice, recent ambient MS techniques, such as direct analysis in real time (DART), offer more rapid and more versatile strategies and thus gain in popularity. In this study, the potential of DART hyphenated with Orbitrap-MS for fast identification and quantification of 21 anabolic steroid esters has been evaluated. Direct analysis in high resolution scan mode allowed steroid esters screening by accurate mass measurement (Resolution=60 000 and mass error{\\textless}3ppm). Steroid esters identification was further supported by collision-induced dissociation (CID) experiments through the generation of two additional ions. Moreover, the use of labelled internal standards allowed quantitative data to be recovered based on isotopic dilution approach. Linearity (R2{\\textgreater}0.99), dynamic range (from 1 to 1000ngmL-1), bias ({\\textless}10\\%), sensitivity (1ngmL-1), repeatability and reproducibility (RSD{\\textless}20\\%) were evaluated as similar to those obtained with hyphenated chromatography-mass spectrometry techniques. This innovative high throughput approach was successfully applied for the characterization of oily commercial preparations, and thus fits the needs of the competent authorities in the fight against forbidden or counterfeited substances.},\n\tlanguage = {en},\n\tnumber = {7},\n\turldate = {2016-01-28},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Doué, Mickael and Dervilly-Pinel, Gaud and Pouponneau, Karinne and Monteau, Fabrice and Le Bizec, Bruno},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {603--608},\n}\n\n\n\n
\n
\n\n\n
\n High throughput screening is essential for doping, forensic, and food safety laboratories. While hyphenated chromatography-mass spectrometry (MS) remains the approach of choice, recent ambient MS techniques, such as direct analysis in real time (DART), offer more rapid and more versatile strategies and thus gain in popularity. In this study, the potential of DART hyphenated with Orbitrap-MS for fast identification and quantification of 21 anabolic steroid esters has been evaluated. Direct analysis in high resolution scan mode allowed steroid esters screening by accurate mass measurement (Resolution=60 000 and mass error\\textless3ppm). Steroid esters identification was further supported by collision-induced dissociation (CID) experiments through the generation of two additional ions. Moreover, the use of labelled internal standards allowed quantitative data to be recovered based on isotopic dilution approach. Linearity (R2\\textgreater0.99), dynamic range (from 1 to 1000ngmL-1), bias (\\textless10%), sensitivity (1ngmL-1), repeatability and reproducibility (RSD\\textless20%) were evaluated as similar to those obtained with hyphenated chromatography-mass spectrometry techniques. This innovative high throughput approach was successfully applied for the characterization of oily commercial preparations, and thus fits the needs of the competent authorities in the fight against forbidden or counterfeited substances.\n
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\n \n\n \n \n \n \n \n \n Validation of Direct Analysis Real Time source/Time-of-Flight Mass Spectrometry for organophosphate quantitation on wafer surface.\n \n \n \n \n\n\n \n Hayeck, N.; Ravier, S.; Gemayel, R.; Gligorovski, S.; Poulet, I.; Maalouly, J.; and Wortham, H.\n\n\n \n\n\n\n Talanta, 144: 1163–1170. November 2015.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{hayeck_validation_2015,\n\ttitle = {Validation of {Direct} {Analysis} {Real} {Time} source/{Time}-of-{Flight} {Mass} {Spectrometry} for organophosphate quantitation on wafer surface},\n\tvolume = {144},\n\tissn = {00399140},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0039914015302071},\n\tdoi = {10.1016/j.talanta.2015.07.080},\n\tabstract = {Microelectronic wafers are exposed to airborne molecular contamination (AMC) during the fabrication process of microelectronic components. The organophosphate compounds belonging to the dopant group are one of the most harmful groups. Once adsorbed on the wafer surface these compounds hardly desorb and could diffuse in the bulk of the wafer and invert the wafer from p-type to n-type. The presence of these compounds on wafer surface could have electrical effect on the microelectronic components. For these reasons, it is of importance to control the amount of these compounds on the surface of the wafer. As a result, a fast quantitative and qualitative analytical method, nondestructive for the wafers, is needed to be able to adjust the process and avoid the loss of an important quantity of processed wafers due to the contamination by organophosphate compounds. Here we developed and validated an analytical method for the determination of organic compounds adsorbed on the surface of microelectronic wafers using the Direct Analysis in Real Time-Time of Flight-Mass Spectrometry (DART-ToF-MS) system. Specifically, the developed methodology concerns the organophosphate group.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Talanta},\n\tauthor = {Hayeck, Nathalie and Ravier, Sylvain and Gemayel, Rachel and Gligorovski, Sasho and Poulet, Irène and Maalouly, Jacqueline and Wortham, Henri},\n\tmonth = nov,\n\tyear = {2015},\n\tpages = {1163--1170},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Microelectronic wafers are exposed to airborne molecular contamination (AMC) during the fabrication process of microelectronic components. The organophosphate compounds belonging to the dopant group are one of the most harmful groups. Once adsorbed on the wafer surface these compounds hardly desorb and could diffuse in the bulk of the wafer and invert the wafer from p-type to n-type. The presence of these compounds on wafer surface could have electrical effect on the microelectronic components. For these reasons, it is of importance to control the amount of these compounds on the surface of the wafer. As a result, a fast quantitative and qualitative analytical method, nondestructive for the wafers, is needed to be able to adjust the process and avoid the loss of an important quantity of processed wafers due to the contamination by organophosphate compounds. Here we developed and validated an analytical method for the determination of organic compounds adsorbed on the surface of microelectronic wafers using the Direct Analysis in Real Time-Time of Flight-Mass Spectrometry (DART-ToF-MS) system. Specifically, the developed methodology concerns the organophosphate group.\n
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\n \n\n \n \n \n \n \n \n Rapid determination of 1-deoxynojirimycin in Morus alba L. leaves by direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Xu, B.; Zhang, D.; Liu, Z.; Zhang, Y.; Liu, L.; Li, L.; Liu, C. C.; and Wu, G.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 114: 447–454. October 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{xu_rapid_2015,\n\ttitle = {Rapid determination of 1-deoxynojirimycin in {Morus} alba {L}. leaves by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {114},\n\tissn = {07317085},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0731708515300273},\n\tdoi = {10.1016/j.jpba.2015.06.010},\n\tabstract = {A new method based on a Direct Analysis in Real Time (DART) ionization source coupled with triple quadrupole tandem mass spectrometry has been developed for rapid qualitative and quantitative analyses of 1-deoxynojirimycin (DNJ) in mulberry leaves. Two ions produced from DNJ, [M+H]+ (m/z 164) and [M-2H+H]+ (m/z 162), are observed using DART-MS in the positive ion mode. The peak areas of the two selected ions monitoring (SIM) signals of ([M+H]+ (m/z 164) and [M-2H+H]+ (m/z 162)) are integrated to determine the peak area for quantitative analyses. A reasonable linear regression equation is obtained in the range of 1.01 to 40.50μg/mL, with a linear coefficient (R2) of 0.996. The limits of detection (LOD) and quantification (LOQ) of the method are 0.25 and 0.80μg/mL, respectively. The range of recovery is shown to be 87.73-95.61\\%. The results derived from the developed DART-MS method are in good agreement with those from the conventional HPLC-FLD method. By contrast, DART-MS in SIM mode is a simple, rapid and high-throughput approach for the determination of the DNJ content in mulberry leaves. The present method is advantageous for the rapid screening of mulberry leaves containing high DNJ contents.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Xu, Bin and Zhang, Dong-Yang and Liu, Ze-Yu and Zhang, Ying and Liu, Li and Li, Long and Liu, Charles C. and Wu, Guo-Hua},\n\tmonth = oct,\n\tyear = {2015},\n\tpages = {447--454},\n}\n\n\n\n
\n
\n\n\n
\n A new method based on a Direct Analysis in Real Time (DART) ionization source coupled with triple quadrupole tandem mass spectrometry has been developed for rapid qualitative and quantitative analyses of 1-deoxynojirimycin (DNJ) in mulberry leaves. Two ions produced from DNJ, [M+H]+ (m/z 164) and [M-2H+H]+ (m/z 162), are observed using DART-MS in the positive ion mode. The peak areas of the two selected ions monitoring (SIM) signals of ([M+H]+ (m/z 164) and [M-2H+H]+ (m/z 162)) are integrated to determine the peak area for quantitative analyses. A reasonable linear regression equation is obtained in the range of 1.01 to 40.50μg/mL, with a linear coefficient (R2) of 0.996. The limits of detection (LOD) and quantification (LOQ) of the method are 0.25 and 0.80μg/mL, respectively. The range of recovery is shown to be 87.73-95.61%. The results derived from the developed DART-MS method are in good agreement with those from the conventional HPLC-FLD method. By contrast, DART-MS in SIM mode is a simple, rapid and high-throughput approach for the determination of the DNJ content in mulberry leaves. The present method is advantageous for the rapid screening of mulberry leaves containing high DNJ contents.\n
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\n \n\n \n \n \n \n \n \n Authentication of true cinnamon (Cinnamon verum) utilising direct analysis in real time (DART)-QToF-MS.\n \n \n \n \n\n\n \n Avula, B.; Smillie, T. J.; Wang, Y.; Zweigenbaum, J.; and Khan, I. A.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 32(1): 1–8. January 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AuthenticationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{avula_authentication_2015,\n\ttitle = {Authentication of true cinnamon ({Cinnamon} verum) utilising direct analysis in real time ({DART})-{QToF}-{MS}},\n\tvolume = {32},\n\tissn = {1944-0049, 1944-0057},\n\turl = {http://www.tandfonline.com/doi/full/10.1080/19440049.2014.981763},\n\tdoi = {10.1080/19440049.2014.981763},\n\tabstract = {The use of cinnamon as a spice and flavouring agent is widespread throughout the world. Many different species of plants are commonly referred to as ‘cinnamon’. ‘True cinnamon’ refers to the dried inner bark of Cinnamomum verum J. S. Presl (syn. C. zeylanicum) (Lauraceae). Other ‘cinnamon’ species, C. cassia (Nees \\& T. Nees) J. Presl (syn. C. aromaticum Nees) (Chinese cassia), C. loureiroi Nees (Saigon cassia), and C. burmannii (Nees \\& T. Nees) Blume (Indonesian cassia), commonly known as cassia, are also marketed as cinnamon. Since there is a prevalence of these various types of ‘cinnamons’ on the market, there is a need to develop a rapid technique that can readily differentiate between true cinnamon (C. verum) and other commonly marketed species. In the present study, coumarin and other marker compounds indicative of ‘cinnamon’ were analysed using DART-QToF-MS in various samples of cinnamon. This method involved the use of [M + H]+ ions in positive mode in addition to principal component analysis (PCA) using Mass Profiler Professional software to visualise several samples for quality and to discriminate ‘true cinnamon’ from other Cinnamomum species using the accurate mass capabilities of QToF-MS.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Avula, Bharathi and Smillie, Troy J. and Wang, Yan-Hong and Zweigenbaum, Jerry and Khan, Ikhlas A.},\n\tmonth = jan,\n\tyear = {2015},\n\tpages = {1--8},\n}\n\n\n\n
\n
\n\n\n
\n The use of cinnamon as a spice and flavouring agent is widespread throughout the world. Many different species of plants are commonly referred to as ‘cinnamon’. ‘True cinnamon’ refers to the dried inner bark of Cinnamomum verum J. S. Presl (syn. C. zeylanicum) (Lauraceae). Other ‘cinnamon’ species, C. cassia (Nees & T. Nees) J. Presl (syn. C. aromaticum Nees) (Chinese cassia), C. loureiroi Nees (Saigon cassia), and C. burmannii (Nees & T. Nees) Blume (Indonesian cassia), commonly known as cassia, are also marketed as cinnamon. Since there is a prevalence of these various types of ‘cinnamons’ on the market, there is a need to develop a rapid technique that can readily differentiate between true cinnamon (C. verum) and other commonly marketed species. In the present study, coumarin and other marker compounds indicative of ‘cinnamon’ were analysed using DART-QToF-MS in various samples of cinnamon. This method involved the use of [M + H]+ ions in positive mode in addition to principal component analysis (PCA) using Mass Profiler Professional software to visualise several samples for quality and to discriminate ‘true cinnamon’ from other Cinnamomum species using the accurate mass capabilities of QToF-MS.\n
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\n \n\n \n \n \n \n \n \n DART–TOF–MS based metabolomics study for the discrimination analysis of geographical origin of Angelica gigas roots collected from Korea and China.\n \n \n \n \n\n\n \n Kim, H. J.; Seo, Y. T.; Park, S.; Jeong, S. H.; Kim, M. K.; and Jang, Y. P.\n\n\n \n\n\n\n Metabolomics, 11(1): 64–70. February 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DART–TOF–MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{kim_darttofms_2015,\n\ttitle = {{DART}–{TOF}–{MS} based metabolomics study for the discrimination analysis of geographical origin of {Angelica} gigas roots collected from {Korea} and {China}},\n\tvolume = {11},\n\tissn = {1573-3882, 1573-3890},\n\turl = {http://link.springer.com/10.1007/s11306-014-0671-9},\n\tdoi = {10.1007/s11306-014-0671-9},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Metabolomics},\n\tauthor = {Kim, Hye Jin and Seo, Yong Taek and Park, Sang-il and Jeong, Se Hee and Kim, Min Kyoung and Jang, Young Pyo},\n\tmonth = feb,\n\tyear = {2015},\n\tpages = {64--70},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Prediction of acrylamide formation in biscuits based on fingerprint data generated by ambient ionization mass spectrometry employing direct analysis in real time (DART) ion source.\n \n \n \n \n\n\n \n Vaclavik, L.; Capuano, E.; Gökmen, V.; and Hajslova, J.\n\n\n \n\n\n\n Food Chemistry, 173: 290–297. April 2015.\n \n\n\n\n
\n\n\n\n \n \n \"PredictionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{vaclavik_prediction_2015,\n\ttitle = {Prediction of acrylamide formation in biscuits based on fingerprint data generated by ambient ionization mass spectrometry employing direct analysis in real time ({DART}) ion source},\n\tvolume = {173},\n\tissn = {03088146},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0308814614015398},\n\tdoi = {10.1016/j.foodchem.2014.09.151},\n\tabstract = {The objective of this study is the evaluation of the potential of high-throughput direct analysis in real time-high resolution mass spectrometry (DART-HRMS) fingerprinting and multivariate regression analysis in prediction of the extent of acrylamide formation in biscuit samples prepared by various recipes and baking conditions. Information-rich mass spectral fingerprints were obtained by analysis of biscuit extracts for preparation of which aqueous methanol was used. The principal component analysis (PCA) of the acquired data revealed an apparent clustering of samples according to the extent of heat-treatment applied during the baking of the biscuits. The regression model for prediction of acrylamide in biscuits was obtained by partial least square regression (PLSR) analysis of the data matrix representing combined positive and negative ionization mode fingerprints. The model provided a least root mean square error of cross validation (RMSECV) equal to an acrylamide concentration of 5.4 μg kg-1 and standard error of prediction (SEP) of 14.8 μg kg-1. The results obtained indicate that this strategy can be used to accurately predict the amounts of acrylamide formed during baking of biscuits. Such rapid estimation of acrylamide concentration can become a useful tool in evaluation of the effectivity of processes aiming at mitigation of this food processing contaminant. However, the robustness this approach with respect to variability in the chemical composition of ingredients used for preparation of biscuits should be tested further.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Food Chemistry},\n\tauthor = {Vaclavik, Lukas and Capuano, Edoardo and Gökmen, Vural and Hajslova, Jana},\n\tmonth = apr,\n\tyear = {2015},\n\tpages = {290--297},\n}\n\n\n\n
\n
\n\n\n
\n The objective of this study is the evaluation of the potential of high-throughput direct analysis in real time-high resolution mass spectrometry (DART-HRMS) fingerprinting and multivariate regression analysis in prediction of the extent of acrylamide formation in biscuit samples prepared by various recipes and baking conditions. Information-rich mass spectral fingerprints were obtained by analysis of biscuit extracts for preparation of which aqueous methanol was used. The principal component analysis (PCA) of the acquired data revealed an apparent clustering of samples according to the extent of heat-treatment applied during the baking of the biscuits. The regression model for prediction of acrylamide in biscuits was obtained by partial least square regression (PLSR) analysis of the data matrix representing combined positive and negative ionization mode fingerprints. The model provided a least root mean square error of cross validation (RMSECV) equal to an acrylamide concentration of 5.4 μg kg-1 and standard error of prediction (SEP) of 14.8 μg kg-1. The results obtained indicate that this strategy can be used to accurately predict the amounts of acrylamide formed during baking of biscuits. Such rapid estimation of acrylamide concentration can become a useful tool in evaluation of the effectivity of processes aiming at mitigation of this food processing contaminant. However, the robustness this approach with respect to variability in the chemical composition of ingredients used for preparation of biscuits should be tested further.\n
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\n \n\n \n \n \n \n \n \n FORENSIC ANALYSIS OF CITES-PROTECTED DALBERGIA TIMBER FROM THE AMERICAS.\n \n \n \n \n\n\n \n Wiemann, M. C.; Chavarria, G. D.; Barajas-Morales, J.; Espinoza, E. O.; and McClure, P. J.\n\n\n \n\n\n\n IAWA Journal, 36(3): 311–325. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"FORENSICPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wiemann_forensic_2015,\n\ttitle = {{FORENSIC} {ANALYSIS} {OF} {CITES}-{PROTECTED} {DALBERGIA} {TIMBER} {FROM} {THE} {AMERICAS}},\n\tvolume = {36},\n\tissn = {0928-1541, 2294-1932},\n\turl = {http://booksandjournals.brillonline.com/content/journals/10.1163/22941932-20150102},\n\tdoi = {10.1163/22941932-20150102},\n\tabstract = {Species identification of logs, planks, and veneers is difficult because they lack the traditional descriptors such as leaves and flowers. An additional challenge is that many transnational shipments have unreliable geographic provenance. Therefore, frequently the lowest taxonomic determination is genus, which allows unscrupulous importers to evade the endangered species laws. In this study we explore whether analysis of wood using a Direct Analysis in Real Time (DART) Time-Of-Flight Mass Spectrometer (TOFMS) can assist in making unequivocal species determinations of Dalbergia. DART TOFMS spectra were collected from the heartwood of eight species of Dalbergia and six other look-alike species. In all, fourteen species comprising of 318 specimens were analyzed and the species chemical profiles were examined by statistical analysis. Dalbergia nigra (CITES Appendix I) was differentiated from D. spruceana; D. stevensonii (Appendix II) was distinguished from D. tucurensis (Appendix III), and all the look-alike timbers could be readily distinguished. Surprisingly, D. retusa (Appendix III) could not be differentiated from D. granadillo, and we postulate that they are synonymous. We conclude that DART TOFMS spectra are useful in making species identifications of American Dalbergia species, and could be a valuable tool for the traditional wood anatomist.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-28},\n\tjournal = {IAWA Journal},\n\tauthor = {Wiemann, Michael C. and Chavarria, Gabriela D. and Barajas-Morales, Josefina and Espinoza, Edgard O. and McClure, Pamela J.},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {311--325},\n}\n\n\n\n
\n
\n\n\n
\n Species identification of logs, planks, and veneers is difficult because they lack the traditional descriptors such as leaves and flowers. An additional challenge is that many transnational shipments have unreliable geographic provenance. Therefore, frequently the lowest taxonomic determination is genus, which allows unscrupulous importers to evade the endangered species laws. In this study we explore whether analysis of wood using a Direct Analysis in Real Time (DART) Time-Of-Flight Mass Spectrometer (TOFMS) can assist in making unequivocal species determinations of Dalbergia. DART TOFMS spectra were collected from the heartwood of eight species of Dalbergia and six other look-alike species. In all, fourteen species comprising of 318 specimens were analyzed and the species chemical profiles were examined by statistical analysis. Dalbergia nigra (CITES Appendix I) was differentiated from D. spruceana; D. stevensonii (Appendix II) was distinguished from D. tucurensis (Appendix III), and all the look-alike timbers could be readily distinguished. Surprisingly, D. retusa (Appendix III) could not be differentiated from D. granadillo, and we postulate that they are synonymous. We conclude that DART TOFMS spectra are useful in making species identifications of American Dalbergia species, and could be a valuable tool for the traditional wood anatomist.\n
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\n \n\n \n \n \n \n \n \n Tracking and identification of antibacterial components in the essential oil of Tanacetum vulgare L. by the combination of high-performance thin-layer chromatography with direct bioautography and mass spectrometry.\n \n \n \n \n\n\n \n Móricz, Á. M.; Häbe, T. T.; Böszörményi, A.; Ott, P. G.; and Morlock, G. E.\n\n\n \n\n\n\n Journal of Chromatography A, 1422: 310–317. November 2015.\n \n\n\n\n
\n\n\n\n \n \n \"TrackingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{moricz_tracking_2015,\n\ttitle = {Tracking and identification of antibacterial components in the essential oil of {Tanacetum} vulgare {L}. by the combination of high-performance thin-layer chromatography with direct bioautography and mass spectrometry},\n\tvolume = {1422},\n\tissn = {00219673},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0021967315014545},\n\tdoi = {10.1016/j.chroma.2015.10.010},\n\tabstract = {Two tansy (Tanacetum vulgare L.) essential oils were obtained by steam distillation of the capitula with subsequent liquid-liquid extraction (oil 1) or with use of an auxiliary phase for the trapping of the steam components (oil 2). These oils were investigated against Bacillus subtilis F1276, B. subtilis spizizenii (DSM 618), Xanthomonas euvesicatoria, Pseudomonas syringae pv. maculicola, Ralstonia solanacearum strain GMI1000 and Aliivibrio fischeri, using the coupling of high-performance thin-layer chromatography to direct bioautography (HPTLC-DB). Using this method with the potato and tomato pathogen R. solanacearum is shown for the first time. Due to the advanced extraction process, oil 2 was richer in components and provided more inhibition zones. The main bioactive components were identified by scanning HPTLC-Direct Analysis in Real Time mass spectrometry (HPTLC-DART-MS) and solid-phase microextraction gas chromatography electron impact MS (SPME-GC-EI-MS) as cis- and trans-chrysanthenol as well as trans-chrysanthenyl acetate. cis-Chrysanthenol exhibited antibacterial effects against all tested bacteria, whereas trans-chrysanthenol inhibited B. subtilis, R. solanacearum and A. fischeri. trans-Chrysanthenyl acetate was an inhibitor for X. euvesicatoria, R. solanacearum and A. fischeri. Although HPTLC-DART-MS resulted in a comparable fragmentation, the ionization characteristics and the recorded mass spectra clearly showed that DART is a softer ionization technique than EI. It is also more affected by ambient conditions and thus prone to additional oxidation products.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Móricz, Ágnes M. and Häbe, Tim T. and Böszörményi, Andrea and Ott, Péter G. and Morlock, Gertrud E.},\n\tmonth = nov,\n\tyear = {2015},\n\tpages = {310--317},\n}\n\n\n\n
\n
\n\n\n
\n Two tansy (Tanacetum vulgare L.) essential oils were obtained by steam distillation of the capitula with subsequent liquid-liquid extraction (oil 1) or with use of an auxiliary phase for the trapping of the steam components (oil 2). These oils were investigated against Bacillus subtilis F1276, B. subtilis spizizenii (DSM 618), Xanthomonas euvesicatoria, Pseudomonas syringae pv. maculicola, Ralstonia solanacearum strain GMI1000 and Aliivibrio fischeri, using the coupling of high-performance thin-layer chromatography to direct bioautography (HPTLC-DB). Using this method with the potato and tomato pathogen R. solanacearum is shown for the first time. Due to the advanced extraction process, oil 2 was richer in components and provided more inhibition zones. The main bioactive components were identified by scanning HPTLC-Direct Analysis in Real Time mass spectrometry (HPTLC-DART-MS) and solid-phase microextraction gas chromatography electron impact MS (SPME-GC-EI-MS) as cis- and trans-chrysanthenol as well as trans-chrysanthenyl acetate. cis-Chrysanthenol exhibited antibacterial effects against all tested bacteria, whereas trans-chrysanthenol inhibited B. subtilis, R. solanacearum and A. fischeri. trans-Chrysanthenyl acetate was an inhibitor for X. euvesicatoria, R. solanacearum and A. fischeri. Although HPTLC-DART-MS resulted in a comparable fragmentation, the ionization characteristics and the recorded mass spectra clearly showed that DART is a softer ionization technique than EI. It is also more affected by ambient conditions and thus prone to additional oxidation products.\n
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\n \n\n \n \n \n \n \n \n Determination of the aflatoxin M1 (AFM1) from milk by direct analysis in real time – mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Busman, M.; Bobell, J. R.; and Maragos, C. M.\n\n\n \n\n\n\n Food Control, 47: 592–598. January 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{busman_determination_2015,\n\ttitle = {Determination of the aflatoxin {M1} ({AFM1}) from milk by direct analysis in real time – mass spectrometry ({DART}-{MS})},\n\tvolume = {47},\n\tissn = {09567135},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0956713514004514},\n\tdoi = {10.1016/j.foodcont.2014.08.003},\n\tabstract = {Certain fungi that grow on crops can produce aflatoxins, which are highly carcinogenic. One of these, aflatoxin B1 can be metabolized by mammals to aflatoxin M1, a form that retains potent carcinogenicity and which can be excreted into milk. Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for the rapid quantitative analysis of a common form of aflatoxin, AFM1, extracted from cow milk. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of AFM1. The lowest calibration level (LCL) for aflatoxin AFM1 was 0.1μg/kg. Quantitative analysis was performed with the use of matrix-matched standards employing a 13C-labeled internal standard for AFM1. DART-MS of spiked milk extracts gave linear response over the range of 0.1-2.5μg/kg. Good recoveries (94.7-109.2\\%) and repeatabilities (RSD 13.5-9.6\\%) were obtained at spiking levels of 0.5 and 2.0μg/kg. The results of the study further demonstrate the potential of ambient ionization-MS techniques for the sensitive, convenient and rapid quantitative determination of mycotoxins from difficult matrices.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Food Control},\n\tauthor = {Busman, Mark and Bobell, John R. and Maragos, Chris M.},\n\tmonth = jan,\n\tyear = {2015},\n\tpages = {592--598},\n}\n\n\n\n
\n
\n\n\n
\n Certain fungi that grow on crops can produce aflatoxins, which are highly carcinogenic. One of these, aflatoxin B1 can be metabolized by mammals to aflatoxin M1, a form that retains potent carcinogenicity and which can be excreted into milk. Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for the rapid quantitative analysis of a common form of aflatoxin, AFM1, extracted from cow milk. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of AFM1. The lowest calibration level (LCL) for aflatoxin AFM1 was 0.1μg/kg. Quantitative analysis was performed with the use of matrix-matched standards employing a 13C-labeled internal standard for AFM1. DART-MS of spiked milk extracts gave linear response over the range of 0.1-2.5μg/kg. Good recoveries (94.7-109.2%) and repeatabilities (RSD 13.5-9.6%) were obtained at spiking levels of 0.5 and 2.0μg/kg. The results of the study further demonstrate the potential of ambient ionization-MS techniques for the sensitive, convenient and rapid quantitative determination of mycotoxins from difficult matrices.\n
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\n \n\n \n \n \n \n \n \n Surface characterization and antifouling properties of nanostructured gold chips for imaging surface plasmon resonance biosensing.\n \n \n \n \n\n\n \n Joshi, S.; Pellacani, P.; van Beek, T. A.; Zuilhof, H.; and Nielen, M. W.\n\n\n \n\n\n\n Sensors and Actuators B: Chemical, 209: 505–514. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"SurfacePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{joshi_surface_2015,\n\ttitle = {Surface characterization and antifouling properties of nanostructured gold chips for imaging surface plasmon resonance biosensing},\n\tvolume = {209},\n\tissn = {09254005},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0925400514015287},\n\tdoi = {10.1016/j.snb.2014.11.133},\n\tabstract = {Surface Plasmon Resonance (SPR) optical sensing is a label-free technique for real-time monitoring of biomolecular interactions. Recently, a portable imaging SPR (iSPR) prototype instrument, featuring a nanostructured gold chip, has been developed. In the present work, we investigated the crucial first steps, prior to eventual use of the nanostructured iSPR chip, i.e., its surface modification, in-depth surface characterization and the antifouling performance. Results were compared with conventional flat (i)SPR gold chips having the same surface chemistries, viz. different types of polyethylene glycol and zwitterionic polymers. Characterization of the (i)SPR chips before and after surface modification was performed using atomic force microscopy (AFM), scanning electron microscopy (SEM), water contact angle (WCA), X-ray photoelectron spectroscopy (XPS) and direct analysis in real time high resolution mass spectrometry (DART-HRMS). The antifouling properties were then studied using the nanostructured chip in the portable iSPR instrument and the flat gold chip in conventional SPR setup. The zwitterionic polymer surface chemistries showed the best antifouling properties. Comparison of the nanostructured iSPR chips with conventional flat (i)SPR gold chips showed that the latter perform slightly better in terms of surface modification as well as antifouling properties. The portable iSPR instrument is almost as sensitive as conventional iSPR (IBIS) and nine times less sensitive than conventional SPR (Biacore 3000). The nanostructured iSPR chip, along with the portable instrument, offers the advantage of about ten-fold reduction in instrument size, weight and costs compared to conventional (i)SPR instruments using flat gold, thus making it highly interesting for future biosensing applications.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Sensors and Actuators B: Chemical},\n\tauthor = {Joshi, Sweccha and Pellacani, Paola and van Beek, Teris A. and Zuilhof, Han and Nielen, Michel W.F.},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {505--514},\n}\n\n\n\n
\n
\n\n\n
\n Surface Plasmon Resonance (SPR) optical sensing is a label-free technique for real-time monitoring of biomolecular interactions. Recently, a portable imaging SPR (iSPR) prototype instrument, featuring a nanostructured gold chip, has been developed. In the present work, we investigated the crucial first steps, prior to eventual use of the nanostructured iSPR chip, i.e., its surface modification, in-depth surface characterization and the antifouling performance. Results were compared with conventional flat (i)SPR gold chips having the same surface chemistries, viz. different types of polyethylene glycol and zwitterionic polymers. Characterization of the (i)SPR chips before and after surface modification was performed using atomic force microscopy (AFM), scanning electron microscopy (SEM), water contact angle (WCA), X-ray photoelectron spectroscopy (XPS) and direct analysis in real time high resolution mass spectrometry (DART-HRMS). The antifouling properties were then studied using the nanostructured chip in the portable iSPR instrument and the flat gold chip in conventional SPR setup. The zwitterionic polymer surface chemistries showed the best antifouling properties. Comparison of the nanostructured iSPR chips with conventional flat (i)SPR gold chips showed that the latter perform slightly better in terms of surface modification as well as antifouling properties. The portable iSPR instrument is almost as sensitive as conventional iSPR (IBIS) and nine times less sensitive than conventional SPR (Biacore 3000). The nanostructured iSPR chip, along with the portable instrument, offers the advantage of about ten-fold reduction in instrument size, weight and costs compared to conventional (i)SPR instruments using flat gold, thus making it highly interesting for future biosensing applications.\n
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\n \n\n \n \n \n \n \n \n An improved method for the determination of 5-hydroxymethylfurfural in Shenfu injection by direct analysis in real time-quadrupole time-of-flight mass spectrometry: Determination of 5-HMF in SF injection by DART-MS.\n \n \n \n \n\n\n \n Gao, W.; Qi, L.; Liu, C. C.; Wang, R.; Li, P.; and Yang, H.\n\n\n \n\n\n\n Drug Testing and Analysis,n/a–n/a. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{gao_improved_2015,\n\ttitle = {An improved method for the determination of 5-hydroxymethylfurfural in {Shenfu} injection by direct analysis in real time-quadrupole time-of-flight mass spectrometry: {Determination} of 5-{HMF} in {SF} injection by {DART}-{MS}},\n\tissn = {19427603},\n\tshorttitle = {An improved method for the determination of 5-hydroxymethylfurfural in {Shenfu} injection by direct analysis in real time-quadrupole time-of-flight mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/dta.1838},\n\tdoi = {10.1002/dta.1838},\n\tabstract = {The emergence of direct analysis in real time (DART) ion source provides the great possibility for rapid analysis of hazardous substance in drugs. DART mass spectrometry (DART-MS) enabled the conducting of a fast and non-contact analysis of various samples, including solid or liquid ones, without complex sample preparation or chromatographic separation. In this study, a modified DART-quadrupole time-of-flight mass spectrometry (DART-QTOF-MS) method was developed for identification and determination of 5-hydroxymethylfurfural (5-HMF) in Shenfu (SF) injection. The quantitative transfer of sample solution was introduced to the glass tips of DIP-it sampler at a fixed volume, which significantly increases the repeatability and accuracy of analytical results. The protonated ion of dibutyl phthalate in the atmosphere was used as the reference mass for TOF-MS recalibration during the data acquisition for constant high accuracy mass measurements. Finally, the developed DART-MS method was used to determine 5-HMF in seven batches of SF injection, and the contents of 5-HMF were not higher than 100 μg/mL. The results obtained were further confirmed by an ultra-high performance liquid chromatography combined with triple quadrupole mass spectrometer (UHPLC-QQQ-MS). The overall results demonstrated that the DART-QTOF-MS method could be applied as an alternative technique for rapid monitoring 5-HMF in herbal medicine injection.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Gao, Wen and Qi, Lian-Wen and Liu, Charles C. and Wang, Rui and Li, Ping and Yang, Hua},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {n/a--n/a},\n}\n\n\n\n
\n
\n\n\n
\n The emergence of direct analysis in real time (DART) ion source provides the great possibility for rapid analysis of hazardous substance in drugs. DART mass spectrometry (DART-MS) enabled the conducting of a fast and non-contact analysis of various samples, including solid or liquid ones, without complex sample preparation or chromatographic separation. In this study, a modified DART-quadrupole time-of-flight mass spectrometry (DART-QTOF-MS) method was developed for identification and determination of 5-hydroxymethylfurfural (5-HMF) in Shenfu (SF) injection. The quantitative transfer of sample solution was introduced to the glass tips of DIP-it sampler at a fixed volume, which significantly increases the repeatability and accuracy of analytical results. The protonated ion of dibutyl phthalate in the atmosphere was used as the reference mass for TOF-MS recalibration during the data acquisition for constant high accuracy mass measurements. Finally, the developed DART-MS method was used to determine 5-HMF in seven batches of SF injection, and the contents of 5-HMF were not higher than 100 μg/mL. The results obtained were further confirmed by an ultra-high performance liquid chromatography combined with triple quadrupole mass spectrometer (UHPLC-QQQ-MS). The overall results demonstrated that the DART-QTOF-MS method could be applied as an alternative technique for rapid monitoring 5-HMF in herbal medicine injection.\n
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\n \n\n \n \n \n \n \n \n Analysis of anabolic androgenic steroids by direct analysis in real time ionization with time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Prokudina, E.; Prchalová, J.; Vyšatová, E.; Kuchař, M.; Rajchl, A.; and Lapčík, O.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 392: 28–33. December 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{prokudina_analysis_2015,\n\ttitle = {Analysis of anabolic androgenic steroids by direct analysis in real time ionization with time-of-flight mass spectrometry},\n\tvolume = {392},\n\tissn = {13873806},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1387380615002730},\n\tdoi = {10.1016/j.ijms.2015.08.022},\n\tabstract = {We verified applicability of direct analysis in real time ionization coupled with a time-of-flight mass spectrometer (DART-MS) for detection of anabolic androgenic steroids in supplements and pharmaceuticals. DART-MS was optimized for the analysis of eleven frequently misused anabolic androgenic steroids and their derivatives. Real supplement tablets and injectable oil solutions were used to verify applicability of the method. It was found that anabolic androgenic steroids can be analyzed directly without any sample pre-treatment, which reduces the sample preparation time and hence the overall analysis time. The resulting DART-MS method is suitable for rapid routine qualitative screening of anabolic androgenic steroids in simple sample matrices. It has a great potential in the field of adulterated and counterfeited anabolic steroid pharmaceuticals and supplements.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Prokudina, E.A. and Prchalová, J. and Vyšatová, E. and Kuchař, M. and Rajchl, A. and Lapčík, O.},\n\tmonth = dec,\n\tyear = {2015},\n\tpages = {28--33},\n}\n\n\n\n
\n
\n\n\n
\n We verified applicability of direct analysis in real time ionization coupled with a time-of-flight mass spectrometer (DART-MS) for detection of anabolic androgenic steroids in supplements and pharmaceuticals. DART-MS was optimized for the analysis of eleven frequently misused anabolic androgenic steroids and their derivatives. Real supplement tablets and injectable oil solutions were used to verify applicability of the method. It was found that anabolic androgenic steroids can be analyzed directly without any sample pre-treatment, which reduces the sample preparation time and hence the overall analysis time. The resulting DART-MS method is suitable for rapid routine qualitative screening of anabolic androgenic steroids in simple sample matrices. It has a great potential in the field of adulterated and counterfeited anabolic steroid pharmaceuticals and supplements.\n
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\n \n\n \n \n \n \n \n \n A novel approach to determine the tyrosine concentration in human plasma by DART-MS/MS.\n \n \n \n \n\n\n \n Song, Y.; Liao, J.; Zha, C.; Wang, B.; and Liu, C. C.\n\n\n \n\n\n\n Anal. Methods, 7(4): 1600–1605. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{song_novel_2015,\n\ttitle = {A novel approach to determine the tyrosine concentration in human plasma by {DART}-{MS}/{MS}},\n\tvolume = {7},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C4AY02566K},\n\tdoi = {10.1039/C4AY02566K},\n\tabstract = {A novel method for determining the tyrosine (Tyr) concentration in human plasma using direct analysis in real time mass spectrometry (DART-MS/MS) was developed. DART-MS/MS was performed in the positive ionization mode with multiple reaction monitoring (MRM) while using the ion transitions at m/z of 182.2/136.2 (Tyr). The experimental conditions and the sample preparation method were optimized to maximize the signal intensity. The linear range was determined to be 2-50 μg mL-1 from the calibration curve. The limit of quantification (LOQ) was 2 μg mL-1. The intra- and inter-day precisions did not exceed 15\\%, and the accuracies were less than ±15\\% for the 4, 18 and 38 μg mL-1 quality control (QC) samples. In addition, the extents of the matrix effects for the QC samples were also evaluated. Using the proposed method, samples could be analyzed simultaneously. The proposed DART-MS/MS-based method is not only rapid and simple with a high throughput but is also economical, as a mobile phase is not used. Furthermore, the method was used successfully to determine the Tyr levels in the plasmas of healthy volunteers and liver cancer patients. The proposed method should also be theoretically suitable for screening newborn babies for the hereditary tyrosinemia.},\n\tlanguage = {en},\n\tnumber = {4},\n\turldate = {2016-01-28},\n\tjournal = {Anal. Methods},\n\tauthor = {Song, Yu-qiao and Liao, Jie and Zha, Cheng and Wang, Bin and Liu, Charles C.},\n\tyear = {2015},\n\tpages = {1600--1605},\n}\n\n\n\n
\n
\n\n\n
\n A novel method for determining the tyrosine (Tyr) concentration in human plasma using direct analysis in real time mass spectrometry (DART-MS/MS) was developed. DART-MS/MS was performed in the positive ionization mode with multiple reaction monitoring (MRM) while using the ion transitions at m/z of 182.2/136.2 (Tyr). The experimental conditions and the sample preparation method were optimized to maximize the signal intensity. The linear range was determined to be 2-50 μg mL-1 from the calibration curve. The limit of quantification (LOQ) was 2 μg mL-1. The intra- and inter-day precisions did not exceed 15%, and the accuracies were less than ±15% for the 4, 18 and 38 μg mL-1 quality control (QC) samples. In addition, the extents of the matrix effects for the QC samples were also evaluated. Using the proposed method, samples could be analyzed simultaneously. The proposed DART-MS/MS-based method is not only rapid and simple with a high throughput but is also economical, as a mobile phase is not used. Furthermore, the method was used successfully to determine the Tyr levels in the plasmas of healthy volunteers and liver cancer patients. The proposed method should also be theoretically suitable for screening newborn babies for the hereditary tyrosinemia.\n
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\n \n\n \n \n \n \n \n \n Spatial localisation of curcumin and rapid screening of the chemical compositions of turmeric rhizomes (Curcuma longa Linn.) using Direct Analysis in Real Time-Mass Spectrometry (DART-MS).\n \n \n \n \n\n\n \n Rahman, A. M.; Angawi, R. F.; and Kadi, A. A.\n\n\n \n\n\n\n Food Chemistry, 173: 489–494. April 2015.\n \n\n\n\n
\n\n\n\n \n \n \"SpatialPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{rahman_spatial_2015,\n\ttitle = {Spatial localisation of curcumin and rapid screening of the chemical compositions of turmeric rhizomes ({Curcuma} longa {Linn}.) using {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry} ({DART}-{MS})},\n\tvolume = {173},\n\tissn = {03088146},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0308814614016112},\n\tdoi = {10.1016/j.foodchem.2014.10.049},\n\tabstract = {Curcumin is a potent antioxidant agent having versatile biological activities is present in turmeric rhizomes (Curcuma longa Linn.). Powder of turmeric rhizomes is consumes as curry spicy worldwide, especially in Asia. In this study, we demonstrate that, bioactive curcumin and its analog demethoxycurcumin are chiefly concentrated in the pith rather than the other parts of the turmeric rhizomes and it was discovered using modern atmospheric ionisation source 'Direct Analysis in Real Time' (DART) connected with an Ion Trap Mass Spectrometry. In addition, all the major components present in turmeric rhizomes were detected in positive and/or in negative ion mode using DART.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Food Chemistry},\n\tauthor = {Rahman, A.F.M. Motiur and Angawi, Rihab F. and Kadi, Adnan A.},\n\tmonth = apr,\n\tyear = {2015},\n\tpages = {489--494},\n}\n\n\n\n
\n
\n\n\n
\n Curcumin is a potent antioxidant agent having versatile biological activities is present in turmeric rhizomes (Curcuma longa Linn.). Powder of turmeric rhizomes is consumes as curry spicy worldwide, especially in Asia. In this study, we demonstrate that, bioactive curcumin and its analog demethoxycurcumin are chiefly concentrated in the pith rather than the other parts of the turmeric rhizomes and it was discovered using modern atmospheric ionisation source 'Direct Analysis in Real Time' (DART) connected with an Ion Trap Mass Spectrometry. In addition, all the major components present in turmeric rhizomes were detected in positive and/or in negative ion mode using DART.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry (DART-MS) of highly non-polar low molecular weight polyisobutylenes: DART-MS of PIBs.\n \n \n \n \n\n\n \n Nagy, L.; Nagy, T.; Deák, G.; Kuki, Á.; Antal, B.; Zsuga, M.; and Kéki, S.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 50(9): 1071–1078. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{nagy_direct_2015,\n\ttitle = {Direct analysis in real time mass spectrometry ({DART}-{MS}) of highly non-polar low molecular weight polyisobutylenes: {DART}-{MS} of {PIBs}},\n\tvolume = {50},\n\tissn = {10765174},\n\tshorttitle = {Direct analysis in real time mass spectrometry ({DART}-{MS}) of highly non-polar low molecular weight polyisobutylenes},\n\turl = {http://doi.wiley.com/10.1002/jms.3621},\n\tdoi = {10.1002/jms.3621},\n\tabstract = {Low molecular weight polyisobutylenes (PIB) with chlorine, olefin and succinic acid end-groups were studied using direct analysis in real time mass spectrometry (DART-MS). To facilitate the adduct ion formation under DART conditions, NH4Cl as an auxiliary reagent was deposited onto the PIB surface. It was found that chlorinated adduct ions of olefin and chlorine telechelic PIBs, i.e. [M + Cl]- up to m/z 1100, and the deprotonated polyisobutylene succinic acid [M-H]- were formed as observed in the negative ion mode. In the positive ion mode formation of [M + NH4]+, adduct ions were detected. In the tandem mass (MS/MS) spectra of [M + Cl]-, product ions were absent, suggesting a simple dissociation of the precursor [M + Cl]- into a Cl- ion and a neutral M without fragmentation of the PIB backbones. However, structurally important product ions were produced from the corresponding [M + NH4]+ ions, allowing us to obtain valuable information on the arm-length distributions of the PIBs containing aromatic initiator moiety. In addition, a model was developed to interpret the oligomer distributions and the number average molecular weights observed in DART-MS for PIBs and other polymers of low molecular weight.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-29},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Nagy, Lajos and Nagy, Tibor and Deák, György and Kuki, Ákos and Antal, Borbála and Zsuga, Miklós and Kéki, Sándor},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {1071--1078},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Low molecular weight polyisobutylenes (PIB) with chlorine, olefin and succinic acid end-groups were studied using direct analysis in real time mass spectrometry (DART-MS). To facilitate the adduct ion formation under DART conditions, NH4Cl as an auxiliary reagent was deposited onto the PIB surface. It was found that chlorinated adduct ions of olefin and chlorine telechelic PIBs, i.e. [M + Cl]- up to m/z 1100, and the deprotonated polyisobutylene succinic acid [M-H]- were formed as observed in the negative ion mode. In the positive ion mode formation of [M + NH4]+, adduct ions were detected. In the tandem mass (MS/MS) spectra of [M + Cl]-, product ions were absent, suggesting a simple dissociation of the precursor [M + Cl]- into a Cl- ion and a neutral M without fragmentation of the PIB backbones. However, structurally important product ions were produced from the corresponding [M + NH4]+ ions, allowing us to obtain valuable information on the arm-length distributions of the PIBs containing aromatic initiator moiety. In addition, a model was developed to interpret the oligomer distributions and the number average molecular weights observed in DART-MS for PIBs and other polymers of low molecular weight.\n
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\n \n\n \n \n \n \n \n \n Trace detection and competitive ionization of erythritol tetranitrate in mixtures using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Forbes, T. P.; and Sisco, E.\n\n\n \n\n\n\n Anal. Methods, 7(8): 3632–3636. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"TracePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{forbes_trace_2015,\n\ttitle = {Trace detection and competitive ionization of erythritol tetranitrate in mixtures using direct analysis in real time mass spectrometry},\n\tvolume = {7},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C4AY02694B},\n\tdoi = {10.1039/C4AY02694B},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry (MS) was used for trace detection of the nitrate ester explosive erythritol tetranitrate (ETN) and its sugar alcohol precursor erythritol. The present investigation revealed the impact of competitive ionization between ETN, erythritol, and nitric acid for the detection of sugar alcohol-based homemade explosives. DART-MS facilitated the direct investigation of matrix effects related to the desorption process and compound volatility, as well as the ionization process, neutralization, and affinity for nitrate adduct formation. ETN and erythritol were directly detected at nanogram to sub-nanogram levels by DART-MS.},\n\tlanguage = {en},\n\tnumber = {8},\n\turldate = {2016-01-29},\n\tjournal = {Anal. Methods},\n\tauthor = {Forbes, Thomas P. and Sisco, Edward},\n\tyear = {2015},\n\tpages = {3632--3636},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) mass spectrometry (MS) was used for trace detection of the nitrate ester explosive erythritol tetranitrate (ETN) and its sugar alcohol precursor erythritol. The present investigation revealed the impact of competitive ionization between ETN, erythritol, and nitric acid for the detection of sugar alcohol-based homemade explosives. DART-MS facilitated the direct investigation of matrix effects related to the desorption process and compound volatility, as well as the ionization process, neutralization, and affinity for nitrate adduct formation. ETN and erythritol were directly detected at nanogram to sub-nanogram levels by DART-MS.\n
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\n \n\n \n \n \n \n \n \n An approach of evaluating the effect of vinylene carbonate additive on graphite anode for lithium ion battery at elevated temperature.\n \n \n \n \n\n\n \n Liu, Y.; Takeda, S.; Kaneko, I.; Yoshitake, H.; Yanagida, M.; Saito, Y.; and Sakai, T.\n\n\n \n\n\n\n Electrochemistry Communications, 61: 70–73. December 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{liu_approach_2015,\n\ttitle = {An approach of evaluating the effect of vinylene carbonate additive on graphite anode for lithium ion battery at elevated temperature},\n\tvolume = {61},\n\tissn = {13882481},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1388248115002891},\n\tdoi = {10.1016/j.elecom.2015.10.008},\n\tabstract = {An approach is proposed to evaluate the VC effect in a LiFePO4/graphite cell at 60 °C through liquid chromatography mass spectrometry (LC-MS) together with direct analysis in real time mass spectrometry (DART-MS). The LC-MS result shows that VC can effectively suppress the formation of phosphate esters as well as carbonate oligomers during the electrochemical cycling. It is also known from DART-MS analysis that VC assists the formation of thermally resistant oligomeric phosphate ester layer on the graphite surface, storing more solvent EC inside the layer. On the other hand, no compounds are observed on the LiFePO4 cathode surface. The formation of the denser oligomeric phosphate ester layer is found to be the reason for the improved cycle stability of the cell cycled at elevated temperature.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Electrochemistry Communications},\n\tauthor = {Liu, Yi-Hung and Takeda, Sahori and Kaneko, Ikue and Yoshitake, Hideya and Yanagida, Masahiro and Saito, Yuria and Sakai, Tetsuo},\n\tmonth = dec,\n\tyear = {2015},\n\tpages = {70--73},\n}\n\n\n\n
\n
\n\n\n
\n An approach is proposed to evaluate the VC effect in a LiFePO4/graphite cell at 60 °C through liquid chromatography mass spectrometry (LC-MS) together with direct analysis in real time mass spectrometry (DART-MS). The LC-MS result shows that VC can effectively suppress the formation of phosphate esters as well as carbonate oligomers during the electrochemical cycling. It is also known from DART-MS analysis that VC assists the formation of thermally resistant oligomeric phosphate ester layer on the graphite surface, storing more solvent EC inside the layer. On the other hand, no compounds are observed on the LiFePO4 cathode surface. The formation of the denser oligomeric phosphate ester layer is found to be the reason for the improved cycle stability of the cell cycled at elevated temperature.\n
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\n \n\n \n \n \n \n \n \n Combination of Solid-Phase Micro-Extraction and Direct Analysis in Real Time-Fourier Transform Ion Cyclotron Resonance Mass Spectrometry for Sensitive and Rapid Analysis of 15 Phthalate Plasticizers in Beverages.\n \n \n \n \n\n\n \n Wu, M.; Wang, H.; Dong, G.; Musselman, B. D.; Liu, C. C.; and Guo, Y.\n\n\n \n\n\n\n Chinese Journal of Chemistry, 33(2): 213–219. February 2015.\n \n\n\n\n
\n\n\n\n \n \n \"CombinationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wu_combination_2015,\n\ttitle = {Combination of {Solid}-{Phase} {Micro}-{Extraction} and {Direct} {Analysis} in {Real} {Time}-{Fourier} {Transform} {Ion} {Cyclotron} {Resonance} {Mass} {Spectrometry} for {Sensitive} and {Rapid} {Analysis} of 15 {Phthalate} {Plasticizers} in {Beverages}},\n\tvolume = {33},\n\tissn = {1001604X},\n\turl = {http://doi.wiley.com/10.1002/cjoc.201400564},\n\tdoi = {10.1002/cjoc.201400564},\n\tabstract = {A method for rapid identification and quantification of phthalate plasticizers in beverages was developed. A number of 15 phthalate plasticizers which covered all the phthalates concerned in the US Consumer Product Safety Improvement Act (CPSIA), European Union legislations and Chinese national standards (GB) were analyzed. By a combined solid-phase micro-extraction (SPME) and direct analysis in real time mass spectrometry (DART-MS) approach, phthalates at sub-ng·mL?1 levels can be qualitatively and quantitatively analyzed in a short time. The use of ultrahigh-resolving power and the accurate mass measurement capacity naturally provided by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) minimizes the matrix interferences and thus enables the evaluation of phthalates in a complex matrix without extensive sample handlings or preparations. The limits of quantification (LOQs) were estimated to be at 0.3?5.0 ng·mL?1, lower than the Maximum Residue Limit (MRL) regulated by the European Union legislations (2007/19/EC) in foods, beverages, food packaging and toys (0.3?30 ng·mL?1). This rapid and easy-to-use SPME-DART-FT-ICR-MS method provided a relatively high-throughput and powerful analytical approach for quick testing and screening phthalates in beverages and water samples to ensure food safety.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-01-28},\n\tjournal = {Chinese Journal of Chemistry},\n\tauthor = {Wu, Mengxi and Wang, Haoyang and Dong, Guoqing and Musselman, Brian D. and Liu, Charles C. and Guo, Yinlong},\n\tmonth = feb,\n\tyear = {2015},\n\tpages = {213--219},\n}\n\n\n\n
\n
\n\n\n
\n A method for rapid identification and quantification of phthalate plasticizers in beverages was developed. A number of 15 phthalate plasticizers which covered all the phthalates concerned in the US Consumer Product Safety Improvement Act (CPSIA), European Union legislations and Chinese national standards (GB) were analyzed. By a combined solid-phase micro-extraction (SPME) and direct analysis in real time mass spectrometry (DART-MS) approach, phthalates at sub-ng·mL?1 levels can be qualitatively and quantitatively analyzed in a short time. The use of ultrahigh-resolving power and the accurate mass measurement capacity naturally provided by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) minimizes the matrix interferences and thus enables the evaluation of phthalates in a complex matrix without extensive sample handlings or preparations. The limits of quantification (LOQs) were estimated to be at 0.3?5.0 ng·mL?1, lower than the Maximum Residue Limit (MRL) regulated by the European Union legislations (2007/19/EC) in foods, beverages, food packaging and toys (0.3?30 ng·mL?1). This rapid and easy-to-use SPME-DART-FT-ICR-MS method provided a relatively high-throughput and powerful analytical approach for quick testing and screening phthalates in beverages and water samples to ensure food safety.\n
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\n \n\n \n \n \n \n \n \n Identification of bacteria by fatty acid profiling with direct analysis in real time mass spectrometry: Bacteria identification by DART fatty acid profiling.\n \n \n \n \n\n\n \n Cody, R. B.; McAlpin, C. R.; Cox, C. R.; Jensen, K. R.; and Voorhees, K. J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(21): 2007–2012. November 2015.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cody_identification_2015,\n\ttitle = {Identification of bacteria by fatty acid profiling with direct analysis in real time mass spectrometry: {Bacteria} identification by {DART} fatty acid profiling},\n\tvolume = {29},\n\tissn = {09514198},\n\tshorttitle = {Identification of bacteria by fatty acid profiling with direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7309},\n\tdoi = {10.1002/rcm.7309},\n\tabstract = {Rationale Bacterial fatty acid profiling is a well-established technique for bacterial identification. Current methods involving esterification and gas chromatography/mass spectrometry (GC/MS) or matrix-assisted laser desorption/ionization (MALDI) analysis are effective, but there are potential benefits to be gained by investigating ambient ionization methods that can provide rapid analysis without derivatization or additional sample handling. Methods Lipid extracts from colonies of five Gram-positive and five Gram-negative pathogenic bacteria were analyzed by Direct Analysis in Real Time (DART) ionization coupled with a time-of-flight mass spectrometer. Fatty acid profiles were obtained from the negative-ion DART mass spectra without additional derivatization or sample preparation. Results Fatty acid profiles obtained from the deprotonated molecules [M - H]- were found to be highly species-specific and reproducible. Leave-one-out cross validation (LOOCV) for principal component analysis (PCA) showed 100\\% correct classification accuracy. Conclusions The results of this preliminary feasibility study show good precision and accuracy, and the fatty acid patterns are clearly distinctive for each of the ten species examined. The speed and ease of analysis and the high classification accuracy for this initial study indicate that DART is an effective method for bacterial fatty acid profiling.},\n\tlanguage = {en},\n\tnumber = {21},\n\turldate = {2016-01-29},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Cody, Robert B. and McAlpin, Casey R. and Cox, Christopher R. and Jensen, Kirk R. and Voorhees, Kent J.},\n\tmonth = nov,\n\tyear = {2015},\n\tpages = {2007--2012},\n}\n\n\n\n
\n
\n\n\n
\n Rationale Bacterial fatty acid profiling is a well-established technique for bacterial identification. Current methods involving esterification and gas chromatography/mass spectrometry (GC/MS) or matrix-assisted laser desorption/ionization (MALDI) analysis are effective, but there are potential benefits to be gained by investigating ambient ionization methods that can provide rapid analysis without derivatization or additional sample handling. Methods Lipid extracts from colonies of five Gram-positive and five Gram-negative pathogenic bacteria were analyzed by Direct Analysis in Real Time (DART) ionization coupled with a time-of-flight mass spectrometer. Fatty acid profiles were obtained from the negative-ion DART mass spectra without additional derivatization or sample preparation. Results Fatty acid profiles obtained from the deprotonated molecules [M - H]- were found to be highly species-specific and reproducible. Leave-one-out cross validation (LOOCV) for principal component analysis (PCA) showed 100% correct classification accuracy. Conclusions The results of this preliminary feasibility study show good precision and accuracy, and the fatty acid patterns are clearly distinctive for each of the ten species examined. The speed and ease of analysis and the high classification accuracy for this initial study indicate that DART is an effective method for bacterial fatty acid profiling.\n
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\n \n\n \n \n \n \n \n \n Quantitative analysis of phosphoric acid esters in aqueous samples by isotope dilution stir-bar sorptive extraction combined with direct analysis in real time (DART)-Orbitrap mass spectrometry.\n \n \n \n \n\n\n \n Bridoux, M. C.; Malandain, H.; Leprince, F.; Progent, F.; and Machuron-Mandard, X.\n\n\n \n\n\n\n Analytica Chimica Acta, 869: 1–10. April 2015.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bridoux_quantitative_2015,\n\ttitle = {Quantitative analysis of phosphoric acid esters in aqueous samples by isotope dilution stir-bar sorptive extraction combined with direct analysis in real time ({DART})-{Orbitrap} mass spectrometry},\n\tvolume = {869},\n\tissn = {00032670},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0003267015000434},\n\tdoi = {10.1016/j.aca.2015.01.010},\n\tabstract = {A novel hyphenated technique, namely the combination of stir bar sorptive extraction (SBSE) with isotope dilution direct analysis in real time (DART) Orbitrap™ mass spectrometry (OT-MS) is presented for the extraction of phosphoric acid alkyl esters (tri- (TnBP), di- (HDBP), and mono-butyl phosphate (H2MBP)) from aqueous samples. First, SBSE of phosphate esters was performed using a Twister™ coated with 24μL of polydimethylsiloxane (PDMS) as the extracting phase. SBSE was optimized for extraction pH, phase ratio (PDMS volume/aqueous phase volume), stirring speed, extraction time and temperature. Then, coupling of SBSE to DART/Orbitrap-MS was achieved by placing the Twister™ in the middle of an open-ended glass tube between the DART and the Orbitrap™. The DART mass spectrometric response of phosphate esters was probed using commercially available and synthesized alkyl phosphate ester standards. The positive ion full scan spectra of alkyl phosphate triesters (TnBP) was characterized by the product of self-protonation [M+H]+ and, during collision-induced dissociation (CID), the major fragmentation ions corresponded to consecutive loss of alkyl chains. Negative ionization gave abundant [M-H]- ions for both HDnBP and H2MnBP. Twisters™ coated with PDMS successfully extracted phosphate acid esters (tri-, di- and mono-esters) granted that the analytes are present in the aqueous solution in the neutral form. SBSE/DART/Orbitrap-MS results show a good linearity between the concentrations and relative peak areas for the analytes in the concentration range studied (0.1-750ngmL-1). Reproducibility of this SBSE/DART/Orbitrap-MS method was evaluated in terms of \\%RSD by extracting a sample of water fortified with the analytes. The \\%RSDs for TnBP, HDnBP and H2MnBP were 4, 3 and 3\\% (n=5) using the respective perdeuterated internal standards. Matrix effects were investigated by matrix matched calibration standards using underground water samples (UWS) and river water samples (RWS). Matrix effects were effectively compensated by the addition of the perdeuterated internal standards. The application of this new SBSE/DART/Orbitrap-MS method should be very valuable for on-site sampling/monitoring, limiting the transport of large volumes of water samples from the sampling site to the laboratory.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Bridoux, Maxime C. and Malandain, Hélène and Leprince, Françoise and Progent, Frédéric and Machuron-Mandard, Xavier},\n\tmonth = apr,\n\tyear = {2015},\n\tpages = {1--10},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n A novel hyphenated technique, namely the combination of stir bar sorptive extraction (SBSE) with isotope dilution direct analysis in real time (DART) Orbitrap™ mass spectrometry (OT-MS) is presented for the extraction of phosphoric acid alkyl esters (tri- (TnBP), di- (HDBP), and mono-butyl phosphate (H2MBP)) from aqueous samples. First, SBSE of phosphate esters was performed using a Twister™ coated with 24μL of polydimethylsiloxane (PDMS) as the extracting phase. SBSE was optimized for extraction pH, phase ratio (PDMS volume/aqueous phase volume), stirring speed, extraction time and temperature. Then, coupling of SBSE to DART/Orbitrap-MS was achieved by placing the Twister™ in the middle of an open-ended glass tube between the DART and the Orbitrap™. The DART mass spectrometric response of phosphate esters was probed using commercially available and synthesized alkyl phosphate ester standards. The positive ion full scan spectra of alkyl phosphate triesters (TnBP) was characterized by the product of self-protonation [M+H]+ and, during collision-induced dissociation (CID), the major fragmentation ions corresponded to consecutive loss of alkyl chains. Negative ionization gave abundant [M-H]- ions for both HDnBP and H2MnBP. Twisters™ coated with PDMS successfully extracted phosphate acid esters (tri-, di- and mono-esters) granted that the analytes are present in the aqueous solution in the neutral form. SBSE/DART/Orbitrap-MS results show a good linearity between the concentrations and relative peak areas for the analytes in the concentration range studied (0.1-750ngmL-1). Reproducibility of this SBSE/DART/Orbitrap-MS method was evaluated in terms of %RSD by extracting a sample of water fortified with the analytes. The %RSDs for TnBP, HDnBP and H2MnBP were 4, 3 and 3% (n=5) using the respective perdeuterated internal standards. Matrix effects were investigated by matrix matched calibration standards using underground water samples (UWS) and river water samples (RWS). Matrix effects were effectively compensated by the addition of the perdeuterated internal standards. The application of this new SBSE/DART/Orbitrap-MS method should be very valuable for on-site sampling/monitoring, limiting the transport of large volumes of water samples from the sampling site to the laboratory.\n
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\n \n\n \n \n \n \n \n \n Application of Direct Analysis in Real Time-Mass Spectrometry (DART-MS) to the Study of Gas–Surface Heterogeneous Reactions: Focus on Ozone and PAHs.\n \n \n \n \n\n\n \n Zhou, S.; Forbes, M. W.; and Abbatt, J. P. D.\n\n\n \n\n\n\n Analytical Chemistry, 87(9): 4733–4740. May 2015.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhou_application_2015,\n\ttitle = {Application of {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry} ({DART}-{MS}) to the {Study} of {Gas}–{Surface} {Heterogeneous} {Reactions}: {Focus} on {Ozone} and {PAHs}},\n\tvolume = {87},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Application of {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry} ({DART}-{MS}) to the {Study} of {Gas}–{Surface} {Heterogeneous} {Reactions}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac504722z},\n\tdoi = {10.1021/ac504722z},\n\tabstract = {A novel analytical method is presented whereby Direct Analysis in Real Time-Mass Spectrometry (DART-MS) is applied to the study of gas-surface heterogeneous reactions. To illustrate the capabilities of the approach, the kinetics of a well-studied reaction of surface-bound polycyclic aromatic hydrocarbons with ozone are presented. Specifically, using helium as the reagent gas and with the DART heater temperature of 500 °C, nanogram quantities of benzo[e]pyrene (BeP) deposited on the outside of glass melting point capillary tubes were analyzed in positive ion mode with a limit of detection of 40 pg. Using bis(2-ethylhexyl) sebacate as an internal standard, the kinetics of the ozone-BeP reaction were assessed by determining the surface-bound BeP decays, after oxidation in an off-line reaction cell. The reaction is demonstrated to follow the Langmuir-Hinshelwood mechanism, known to prevail for heterogeneous reactions of this type. In addition, a wide array of oxygenated, condensed-phase products has been observed. The present work demonstrates the capability of the DART-MS technique to investigate the heterogeneous chemistry taking place on a wide range of surfaces, such as those that form in both outdoor and indoor environments.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-29},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Zhou, Shouming and Forbes, Matthew W. and Abbatt, Jonathan P. D.},\n\tmonth = may,\n\tyear = {2015},\n\tpages = {4733--4740},\n}\n\n\n\n
\n
\n\n\n
\n A novel analytical method is presented whereby Direct Analysis in Real Time-Mass Spectrometry (DART-MS) is applied to the study of gas-surface heterogeneous reactions. To illustrate the capabilities of the approach, the kinetics of a well-studied reaction of surface-bound polycyclic aromatic hydrocarbons with ozone are presented. Specifically, using helium as the reagent gas and with the DART heater temperature of 500 °C, nanogram quantities of benzo[e]pyrene (BeP) deposited on the outside of glass melting point capillary tubes were analyzed in positive ion mode with a limit of detection of 40 pg. Using bis(2-ethylhexyl) sebacate as an internal standard, the kinetics of the ozone-BeP reaction were assessed by determining the surface-bound BeP decays, after oxidation in an off-line reaction cell. The reaction is demonstrated to follow the Langmuir-Hinshelwood mechanism, known to prevail for heterogeneous reactions of this type. In addition, a wide array of oxygenated, condensed-phase products has been observed. The present work demonstrates the capability of the DART-MS technique to investigate the heterogeneous chemistry taking place on a wide range of surfaces, such as those that form in both outdoor and indoor environments.\n
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\n \n\n \n \n \n \n \n \n Aspects of surface scanning by direct analysis in real time mass spectrometry employing plasma glow visualization: DART-MS surface analysis with plasma glow.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(13): 1242–1252. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AspectsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_aspects_2015,\n\ttitle = {Aspects of surface scanning by direct analysis in real time mass spectrometry employing plasma glow visualization: {DART}-{MS} surface analysis with plasma glow},\n\tvolume = {29},\n\tissn = {09514198},\n\tshorttitle = {Aspects of surface scanning by direct analysis in real time mass spectrometry employing plasma glow visualization},\n\turl = {http://doi.wiley.com/10.1002/rcm.7221},\n\tdoi = {10.1002/rcm.7221},\n\tabstract = {Rationale Visual monitoring of the Direct Analysis in Real Time (DART) gas impact region during sampling was demonstrated via its metastable plasma glow. It is known that adding neon into helium for DART leads to plasma glow, but this effect has not been used in practice and discussed in the literature so far. Methods A single quadrupole mass spectrometer with a DART SVPA ion source was used for recording of DART mass spectra from different surfaces, using galangin and p-coumaric acid as model analytes. In specific cases, the composition of the mass spectra was clarified using an Orbitrap mass spectrometer. Results Plasma glow visualization made it possible to track the metastable gas distributions during surface scanning. The influence on the composition of the mass spectra was studied for different carrier gases, i.e. pure helium versus a helium-neon mixture, and for the vacuum pumping rate. The spatial resolution was substantially improved via a DART cap with a narrowed internal diameter, but impaired by a decreased sensitivity. Comparably low signal intensities were obtained for analytes on porous layers due to analyte penetration and metastable gas scattering. Conclusions Visualization through the plasma glow enables the optimal selection of the coordinates for DART-MS analysis and thus it will support scanning and imaging MS on surfaces, including porous planar chromatographic separation materials.},\n\tlanguage = {en},\n\tnumber = {13},\n\turldate = {2016-01-29},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {1242--1252},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Rationale Visual monitoring of the Direct Analysis in Real Time (DART) gas impact region during sampling was demonstrated via its metastable plasma glow. It is known that adding neon into helium for DART leads to plasma glow, but this effect has not been used in practice and discussed in the literature so far. Methods A single quadrupole mass spectrometer with a DART SVPA ion source was used for recording of DART mass spectra from different surfaces, using galangin and p-coumaric acid as model analytes. In specific cases, the composition of the mass spectra was clarified using an Orbitrap mass spectrometer. Results Plasma glow visualization made it possible to track the metastable gas distributions during surface scanning. The influence on the composition of the mass spectra was studied for different carrier gases, i.e. pure helium versus a helium-neon mixture, and for the vacuum pumping rate. The spatial resolution was substantially improved via a DART cap with a narrowed internal diameter, but impaired by a decreased sensitivity. Comparably low signal intensities were obtained for analytes on porous layers due to analyte penetration and metastable gas scattering. Conclusions Visualization through the plasma glow enables the optimal selection of the coordinates for DART-MS analysis and thus it will support scanning and imaging MS on surfaces, including porous planar chromatographic separation materials.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry of fused ring heterocyclic organometallic compounds.\n \n \n \n \n\n\n \n Mazzotta, M. G.; Young, J. O. E.; Evans, J. W.; Dopierala, L. A.; Claytor, Z. A.; Smith, A. C.; Snyder, C.; Tice, N. C.; and Smith, D. L.\n\n\n \n\n\n\n Anal. Methods, 7(9): 4003–4007. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{mazzotta_direct_2015,\n\ttitle = {Direct analysis in real time mass spectrometry of fused ring heterocyclic organometallic compounds},\n\tvolume = {7},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C5AY00295H},\n\tdoi = {10.1039/C5AY00295H},\n\tabstract = {Direct analysis in real time (DART) was able to desorb/ionize a series of fused-ring heterocyclic organometallic compounds to allow molecular analysis using a linear ion-trap mass spectrometer. Limited data is available pertaining to the use of ambient ionization with organometallic compounds but the developed analytical method allowed direct sampling of solutions prepared from pure organometallic compounds in dichloromethane to generate signals in the positive mode. A protonated molecule was detected (even when a charged ring structure was present) but signal intensity was dependent on the organometallic compound with respect to the specific metal-ligand interaction of the molecule as well as the helium gas temperature in the DART ion source. In addition, dimer formation for compounds was also observed. Tandem mass spectrometry was also possible to verify the tricarbonyl groups from the organometallic compound and show relative differences with respect to metal coordination. The desorption/ionization of these heterocyclic organometallic compounds with DART potentially gives synthetic chemists another ionization choice for rapid reaction product monitoring.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-29},\n\tjournal = {Anal. Methods},\n\tauthor = {Mazzotta, Michael G. and Young, Jason O. E. and Evans, Jesse W. and Dopierala, Levi A. and Claytor, Zachariah. A. and Smith, Adam C. and Snyder, Chad and Tice, Nathan C. and Smith, Darrin L.},\n\tyear = {2015},\n\tpages = {4003--4007},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) was able to desorb/ionize a series of fused-ring heterocyclic organometallic compounds to allow molecular analysis using a linear ion-trap mass spectrometer. Limited data is available pertaining to the use of ambient ionization with organometallic compounds but the developed analytical method allowed direct sampling of solutions prepared from pure organometallic compounds in dichloromethane to generate signals in the positive mode. A protonated molecule was detected (even when a charged ring structure was present) but signal intensity was dependent on the organometallic compound with respect to the specific metal-ligand interaction of the molecule as well as the helium gas temperature in the DART ion source. In addition, dimer formation for compounds was also observed. Tandem mass spectrometry was also possible to verify the tricarbonyl groups from the organometallic compound and show relative differences with respect to metal coordination. The desorption/ionization of these heterocyclic organometallic compounds with DART potentially gives synthetic chemists another ionization choice for rapid reaction product monitoring.\n
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\n \n\n \n \n \n \n \n \n Plant Seed Species Identification from Chemical Fingerprints: A High-Throughput Application of Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Lesiak, A. D.; Cody, R. B.; Dane, A. J.; and Musah, R. A.\n\n\n \n\n\n\n Analytical Chemistry, 87(17): 8748–8757. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"PlantPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_plant_2015,\n\ttitle = {Plant {Seed} {Species} {Identification} from {Chemical} {Fingerprints}: {A} {High}-{Throughput} {Application} of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {87},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Plant {Seed} {Species} {Identification} from {Chemical} {Fingerprints}},\n\turl = {http://pubs.acs.org/doi/10.1021/acs.analchem.5b01611},\n\tdoi = {10.1021/acs.analchem.5b01611},\n\tabstract = {Plant species identification based on the morphological features of plant parts is a well-established science in botany. However, species identification from seeds has largely been unexplored, despite the fact that the seeds contain all of the genetic information that distinguishes one plant from another. Using seeds of genus Datura plants, we show here that the mass spectrum-derived chemical fingerprints for seeds of the same species are similar. On the other hand, seeds from different species within the same genus display distinct chemical signatures, even though they may contain similar characteristic biomarkers. The intraspecies chemical signature similarities on the one hand, and interspecies fingerprint differences on the other, can be processed by multivariate statistical analysis methods to enable rapid species-level identification and differentiation. The chemical fingerprints can be acquired rapidly and in a high-throughput manner by direct analysis in real time mass spectrometry (DART-MS) analysis of the seeds in their native form, without use of a solvent extract. Importantly, knowledge of the identity of the detected molecules is not required for species level identification. However, confirmation of the presence within the seeds of various characteristic tropane and other alkaloids, including atropine, scopolamine, scopoline, tropine, tropinone, and tyramine, was accomplished by comparison of the in-source collision-induced dissociation (CID) fragmentation patterns of authentic standards, to the fragmentation patterns observed in the seeds when analyzed under similar in-source CID conditions. The advantages, applications, and implications of the chemometric processing of DART-MS derived seed chemical signatures for species level identification and differentiation are discussed.},\n\tlanguage = {en},\n\tnumber = {17},\n\turldate = {2016-01-28},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Lesiak, Ashton D. and Cody, Robert B. and Dane, A. John and Musah, Rabi A.},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {8748--8757},\n}\n\n\n\n
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\n\n\n
\n Plant species identification based on the morphological features of plant parts is a well-established science in botany. However, species identification from seeds has largely been unexplored, despite the fact that the seeds contain all of the genetic information that distinguishes one plant from another. Using seeds of genus Datura plants, we show here that the mass spectrum-derived chemical fingerprints for seeds of the same species are similar. On the other hand, seeds from different species within the same genus display distinct chemical signatures, even though they may contain similar characteristic biomarkers. The intraspecies chemical signature similarities on the one hand, and interspecies fingerprint differences on the other, can be processed by multivariate statistical analysis methods to enable rapid species-level identification and differentiation. The chemical fingerprints can be acquired rapidly and in a high-throughput manner by direct analysis in real time mass spectrometry (DART-MS) analysis of the seeds in their native form, without use of a solvent extract. Importantly, knowledge of the identity of the detected molecules is not required for species level identification. However, confirmation of the presence within the seeds of various characteristic tropane and other alkaloids, including atropine, scopolamine, scopoline, tropine, tropinone, and tyramine, was accomplished by comparison of the in-source collision-induced dissociation (CID) fragmentation patterns of authentic standards, to the fragmentation patterns observed in the seeds when analyzed under similar in-source CID conditions. The advantages, applications, and implications of the chemometric processing of DART-MS derived seed chemical signatures for species level identification and differentiation are discussed.\n
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\n \n\n \n \n \n \n \n \n Just dip it: online coupling of “Dip-it” polymer monolith microextraction with plasma assisted laser desorption ionization mass spectrometry.\n \n \n \n \n\n\n \n Wang, X.; Li, X.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Chem. Commun., 51(22): 4615–4618. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"JustPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_just_2015,\n\ttitle = {Just dip it: online coupling of “{Dip}-it” polymer monolith microextraction with plasma assisted laser desorption ionization mass spectrometry},\n\tvolume = {51},\n\tissn = {1359-7345, 1364-548X},\n\tshorttitle = {Just dip it},\n\turl = {http://xlink.rsc.org/?DOI=C5CC00022J},\n\tdoi = {10.1039/C5CC00022J},\n\tabstract = {A polymer monolith microextraction (PMME) procedure coupled to plasma assisted laser desorption ionization mass spectrometry (PMME-PALDI-MS) was developed for rapid and organic solvent-free trace analysis. The extraction device used a “Dip-it” sampler coated with a MWNT incorporated monolith, and the analytes adsorbed on monoliths were effectively desorbed by laser, improving detection sensitivity.},\n\tlanguage = {en},\n\tnumber = {22},\n\turldate = {2016-07-14},\n\tjournal = {Chem. Commun.},\n\tauthor = {Wang, Xin and Li, Xianjiang and Bai, Yu and Liu, Huwei},\n\tyear = {2015},\n\tpages = {4615--4618},\n}\n\n\n\n
\n
\n\n\n
\n A polymer monolith microextraction (PMME) procedure coupled to plasma assisted laser desorption ionization mass spectrometry (PMME-PALDI-MS) was developed for rapid and organic solvent-free trace analysis. The extraction device used a “Dip-it” sampler coated with a MWNT incorporated monolith, and the analytes adsorbed on monoliths were effectively desorbed by laser, improving detection sensitivity.\n
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\n \n\n \n \n \n \n \n \n Metabolic chemotypes of CITES protected Dalbergia timbers from Africa, Madagascar, and Asia: Metabolic chemotypes of Dalbergia.\n \n \n \n \n\n\n \n McClure, P. J.; Chavarria, G. D.; and Espinoza, E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(9): 783–788. May 2015.\n \n\n\n\n
\n\n\n\n \n \n \"MetabolicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{mcclure_metabolic_2015,\n\ttitle = {Metabolic chemotypes of {CITES} protected {Dalbergia} timbers from {Africa}, {Madagascar}, and {Asia}: {Metabolic} chemotypes of {Dalbergia}},\n\tvolume = {29},\n\tissn = {09514198},\n\tshorttitle = {Metabolic chemotypes of {CITES} protected \\textit{{Dalbergia}} timbers from {Africa}, {Madagascar}, and {Asia}},\n\turl = {http://doi.wiley.com/10.1002/rcm.7163},\n\tdoi = {10.1002/rcm.7163},\n\tabstract = {Rationale: The genus Dalbergia includes approximately 250 species worldwide. Of these, 58 species are of economic importance and listed under CITES. Identification of illegal transnational timber trade is a challenge because logs or boards lack the typical descriptors used for species identification such as leaves and flowers; therefore, frequently the lowest taxonomic determination of these tree byproducts is genus. In this study, we explore the use of Direct Analysis in Real Time (DART) Time-Of-Flight Mass Spectrometry (TOFMS) in making species determinations of protected Dalbergia trees from Africa, Madagascar, and Asia. Methods: Metabolic profiles were collected using DART TOFMS from the heartwood of seven species and the sapwood of 17 species of Dalbergia. Also included in this study are 85 Dalbergia heartwood samples from Madagascar that were only identified to genus. In all, 21 species comprising 235 specimens were analyzed, the metabolic chemotypes were interpreted, and the spectra were analyzed using chemometric tools. Results: Dalbergia cochinchinensis and Dalbergia spp. from Madagascar (both CITES Appendix II) could be differentiated from each other and from the non-protected Dalbergia latifolia and Dalbergia melanoxylon. Conclusions: DART TOFMS is a valuable high-throughput tool useful for making phytochemical classifications of Dalbergia spp. The data produced allows the protected Dalbergias from Madagascar to be distinguished and can differentiate closely related rosewood trees. Published in 2015. This article is a U.S. Government work and is in the public domain in the USA.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-29},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {McClure, Pamela J. and Chavarria, Gabriela D. and Espinoza, Edgard},\n\tmonth = may,\n\tyear = {2015},\n\tpages = {783--788},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Rationale: The genus Dalbergia includes approximately 250 species worldwide. Of these, 58 species are of economic importance and listed under CITES. Identification of illegal transnational timber trade is a challenge because logs or boards lack the typical descriptors used for species identification such as leaves and flowers; therefore, frequently the lowest taxonomic determination of these tree byproducts is genus. In this study, we explore the use of Direct Analysis in Real Time (DART) Time-Of-Flight Mass Spectrometry (TOFMS) in making species determinations of protected Dalbergia trees from Africa, Madagascar, and Asia. Methods: Metabolic profiles were collected using DART TOFMS from the heartwood of seven species and the sapwood of 17 species of Dalbergia. Also included in this study are 85 Dalbergia heartwood samples from Madagascar that were only identified to genus. In all, 21 species comprising 235 specimens were analyzed, the metabolic chemotypes were interpreted, and the spectra were analyzed using chemometric tools. Results: Dalbergia cochinchinensis and Dalbergia spp. from Madagascar (both CITES Appendix II) could be differentiated from each other and from the non-protected Dalbergia latifolia and Dalbergia melanoxylon. Conclusions: DART TOFMS is a valuable high-throughput tool useful for making phytochemical classifications of Dalbergia spp. The data produced allows the protected Dalbergias from Madagascar to be distinguished and can differentiate closely related rosewood trees. Published in 2015. This article is a U.S. Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Determination of Dicyandiamide in Powdered Milk Using Direct Analysis in Real Time Quadrupole Time-of-Flight Tandem Mass Spectrometry.\n \n \n \n \n\n\n \n Zhang, L.; Yong, W.; Liu, J.; Wang, S.; Chen, Q.; Guo, T.; Zhang, J.; Tan, T.; Su, H.; and Dong, Y.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 26(8): 1414–1422. August 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhang_determination_2015,\n\ttitle = {Determination of {Dicyandiamide} in {Powdered} {Milk} {Using} {Direct} {Analysis} in {Real} {Time} {Quadrupole} {Time}-of-{Flight} {Tandem} {Mass} {Spectrometry}},\n\tvolume = {26},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-015-1142-x},\n\tdoi = {10.1007/s13361-015-1142-x},\n\tabstract = {The direct analysis in real time (DART) ionization source coupled with quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples without sample cleanup or chromatographic separation. In this work, a method based on DART/Q-TOF MS/MS has been developed for rapid identification of dicyandiamide (DCD) present in powdered milk. Simple sample extraction procedure employing acetonitrile-water (80:20, v/v) mixture was followed by direct, high-throughput determination of sample extracts spread on a steel mesh of the transmission module by mass spectrometry under ambient conditions. The method has been evaluated for both qualitative and quantitative analysis of DCD in powdered milk. Variables including experimental apparatus, DART gas heater temperature, sample presentation speed, and vacuum pressure were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision, and accuracy by using external standards. After optimization of these parameters, a limit of detection (LOD) of 100 μg kg-1 was obtained for DCD with a linear working range from 100 to 10000 μg kg-1 and a satisfactory correlation coefficient (R2) of 0.9997. Good recovery (80.08\\%-106.47\\%) and repeatability (RSD∈=∈3.0\\%-5.4\\%) were achieved for DCD. The DART/Q-TOF MS/MS-based method provides a rapid, efficient, and powerful scheme to analyze DCD in powdered milk with limited sample preparation, thus reducing time and complexity of quality control.},\n\tlanguage = {en},\n\tnumber = {8},\n\turldate = {2016-01-29},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Zhang, Liya and Yong, Wei and Liu, Jiahui and Wang, Sai and Chen, Qilong and Guo, Tianyang and Zhang, Jichuan and Tan, Tianwei and Su, Haijia and Dong, Yiyang},\n\tmonth = aug,\n\tyear = {2015},\n\tpages = {1414--1422},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The direct analysis in real time (DART) ionization source coupled with quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples without sample cleanup or chromatographic separation. In this work, a method based on DART/Q-TOF MS/MS has been developed for rapid identification of dicyandiamide (DCD) present in powdered milk. Simple sample extraction procedure employing acetonitrile-water (80:20, v/v) mixture was followed by direct, high-throughput determination of sample extracts spread on a steel mesh of the transmission module by mass spectrometry under ambient conditions. The method has been evaluated for both qualitative and quantitative analysis of DCD in powdered milk. Variables including experimental apparatus, DART gas heater temperature, sample presentation speed, and vacuum pressure were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision, and accuracy by using external standards. After optimization of these parameters, a limit of detection (LOD) of 100 μg kg-1 was obtained for DCD with a linear working range from 100 to 10000 μg kg-1 and a satisfactory correlation coefficient (R2) of 0.9997. Good recovery (80.08%-106.47%) and repeatability (RSD∈=∈3.0%-5.4%) were achieved for DCD. The DART/Q-TOF MS/MS-based method provides a rapid, efficient, and powerful scheme to analyze DCD in powdered milk with limited sample preparation, thus reducing time and complexity of quality control.\n
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\n \n\n \n \n \n \n \n \n Rapid screening for the adulterants of Berberis aristata using direct analysis in real-time mass spectrometry and principal component analysis for discrimination.\n \n \n \n \n\n\n \n Bajpai, V.; Singh, A.; Arya, K. R.; Srivastava, M.; and Kumar, B.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 32(6): 799–807. June 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bajpai_rapid_2015,\n\ttitle = {Rapid screening for the adulterants of {Berberis} aristata using direct analysis in real-time mass spectrometry and principal component analysis for discrimination},\n\tvolume = {32},\n\tissn = {1944-0049, 1944-0057},\n\turl = {http://www.tandfonline.com/doi/full/10.1080/19440049.2015.1022885},\n\tdoi = {10.1080/19440049.2015.1022885},\n\tabstract = {Adulteration or substitution of commercial Berberis aristata and its herbal products with inferior-quality substituents is very common. Metabolic profiling of B. aristata, along with its common adulterants/contaminants/substituents such as B. asiatica, Mahonia borealis and Coscinium fenestratum, was rapidly carried out using direct analysis in real-time mass spectrometry (DART MS) to generate the chemical fingerprints for the differentiation of these species. Phytochemical analysis showed the presence of mainly alkaloids. The identified alkaloids were berberrubine, berberine, jatrorrhizine, ketoberberine, palmatine, dihydropalmatine or 7,8-dihydro-8-hydroxyberberine, berbamine and pakistanamine. Berberine, which was mainly reported from the root and stem bark of B. aristata, was also identified in the leaf along with chlorogenic acid. The DART MS data have been subjected to principal component analysis (PCA). The resulting score plots showed clustering and clear differentiation of the species and plant parts. It is thus apparent that the technique of DART MS followed by PCA is a quick and reliable method for the direct profiling of B. aristata and its adulterant plants and plant parts. The study reports the rapid analytical method to identify the possibility of illegal adulteration/contamination/substitution in potential plant materials and herbal extracts.},\n\tlanguage = {en},\n\tnumber = {6},\n\turldate = {2016-01-28},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Bajpai, Vikas and Singh, Awantika and Arya, Kamal Ram and Srivastava, Mukesh and Kumar, Brijesh},\n\tmonth = jun,\n\tyear = {2015},\n\tpages = {799--807},\n}\n\n\n\n
\n
\n\n\n
\n Adulteration or substitution of commercial Berberis aristata and its herbal products with inferior-quality substituents is very common. Metabolic profiling of B. aristata, along with its common adulterants/contaminants/substituents such as B. asiatica, Mahonia borealis and Coscinium fenestratum, was rapidly carried out using direct analysis in real-time mass spectrometry (DART MS) to generate the chemical fingerprints for the differentiation of these species. Phytochemical analysis showed the presence of mainly alkaloids. The identified alkaloids were berberrubine, berberine, jatrorrhizine, ketoberberine, palmatine, dihydropalmatine or 7,8-dihydro-8-hydroxyberberine, berbamine and pakistanamine. Berberine, which was mainly reported from the root and stem bark of B. aristata, was also identified in the leaf along with chlorogenic acid. The DART MS data have been subjected to principal component analysis (PCA). The resulting score plots showed clustering and clear differentiation of the species and plant parts. It is thus apparent that the technique of DART MS followed by PCA is a quick and reliable method for the direct profiling of B. aristata and its adulterant plants and plant parts. The study reports the rapid analytical method to identify the possibility of illegal adulteration/contamination/substitution in potential plant materials and herbal extracts.\n
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\n \n\n \n \n \n \n \n \n Interface for Online Coupling of Surface Plasmon Resonance to Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Zhang, Y.; Li, X.; Nie, H.; Yang, L.; Li, Z.; Bai, Y.; Niu, L.; Song, D.; and Liu, H.\n\n\n \n\n\n\n Analytical Chemistry, 87(13): 6505–6509. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"InterfacePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhang_interface_2015,\n\ttitle = {Interface for {Online} {Coupling} of {Surface} {Plasmon} {Resonance} to {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {87},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.analchem.5b01272},\n\tdoi = {10.1021/acs.analchem.5b01272},\n\tlanguage = {en},\n\tnumber = {13},\n\turldate = {2016-01-29},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Zhang, Yiding and Li, Xianjiang and Nie, Honggang and Yang, Li and Li, Ze and Bai, Yu and Niu, Li and Song, Daqian and Liu, Huwei},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {6505--6509},\n}\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid fingerprinting of Rauwolfia species using direct analysis in real time mass spectrometry combined with principal component analysis for their discrimination.\n \n \n \n \n\n\n \n Kumar, S.; Bajpai, V.; Singh, A.; Bindu, S.; Srivastava, M.; Rameshkumar, K. B.; and Kumar, B.\n\n\n \n\n\n\n Anal. Methods, 7(14): 6021–6026. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{kumar_rapid_2015,\n\ttitle = {Rapid fingerprinting of {Rauwolfia} species using direct analysis in real time mass spectrometry combined with principal component analysis for their discrimination},\n\tvolume = {7},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C5AY01249J},\n\tdoi = {10.1039/C5AY01249J},\n\tabstract = {Medicinal plants of the genus Rauwolfia (Apocynaceae) are extensively used as folk medicines worldwide. Its antihypertensive activity is well known due to the presence of monoterpene indole alkaloids (MIAs). The therapeutic potential of the herbal medicines are affected due to variation of bioactive phytoconstituents. Therefore, a rapid and validated method was developed for fingerprinting of roots and leaves of six Rauwolfia species by direct analysis in real time mass spectrometry (DART-MS). Seventeen bioactive MIAs were tentatively identified on the basis of their exact mass measurement from the intact plant parts. Furthermore, principal component analysis (PCA) was used to analyze the DART-MS data of six Rauwolfia species to identify the chemical markers. Thirteen and twenty-three chemical markers were identified from the roots and leaves which were able to discriminate among six Rauwolfia species. This method was also cross-validated for the rapid identification, authentication and quality control of Rauwolfia species.},\n\tlanguage = {en},\n\tnumber = {14},\n\turldate = {2016-01-28},\n\tjournal = {Anal. Methods},\n\tauthor = {Kumar, Sunil and Bajpai, Vikas and Singh, Awantika and Bindu, S. and Srivastava, Mukesh and Rameshkumar, K. B. and Kumar, Brijesh},\n\tyear = {2015},\n\tpages = {6021--6026},\n}\n\n\n\n
\n
\n\n\n
\n Medicinal plants of the genus Rauwolfia (Apocynaceae) are extensively used as folk medicines worldwide. Its antihypertensive activity is well known due to the presence of monoterpene indole alkaloids (MIAs). The therapeutic potential of the herbal medicines are affected due to variation of bioactive phytoconstituents. Therefore, a rapid and validated method was developed for fingerprinting of roots and leaves of six Rauwolfia species by direct analysis in real time mass spectrometry (DART-MS). Seventeen bioactive MIAs were tentatively identified on the basis of their exact mass measurement from the intact plant parts. Furthermore, principal component analysis (PCA) was used to analyze the DART-MS data of six Rauwolfia species to identify the chemical markers. Thirteen and twenty-three chemical markers were identified from the roots and leaves which were able to discriminate among six Rauwolfia species. This method was also cross-validated for the rapid identification, authentication and quality control of Rauwolfia species.\n
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\n \n\n \n \n \n \n \n \n Office Chromatography: Precise printing of sample solutions on miniaturized thin-layer phases and utilization for scanning Direct Analysis in Real Time mass spectrometry.\n \n \n \n \n\n\n \n Häbe, T. T.; and Morlock, G. E.\n\n\n \n\n\n\n Journal of Chromatography A, 1413: 127–134. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"OfficePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{habe_office_2015,\n\ttitle = {Office {Chromatography}: {Precise} printing of sample solutions on miniaturized thin-layer phases and utilization for scanning {Direct} {Analysis} in {Real} {Time} mass spectrometry},\n\tvolume = {1413},\n\tissn = {00219673},\n\tshorttitle = {Office {Chromatography}},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0021967315011309},\n\tdoi = {10.1016/j.chroma.2015.08.003},\n\tabstract = {Office Chromatography combines achievements in office technologies with miniaturized planar chromatography. In the life sciences, printing of materials became an accepted technique, whereas in separation science, the use of printers for chromatography is at its infancy. A bubble-jet printer was modified for exact application on miniaturized plates. Technical modifications included the removal of all unnecessary parts and the improvement of the positioning system, purge unit and sample supply system. Evaluation was performed via a slide scanner and image evaluation software. Printing of a food dye mixture solution (n=5) led to a calculated mean deposition volume of 13±1nL/mm2 per print-cycle. A mean determination coefficient (R2; n=5) of 0.9990 was obtained for application of increasing volumes, executed via increasing band widths of 50-200μm (corresponding to 2-8nL). Using larger band widths and multiple print jobs, deposition volumes of up to the microliter scale represented an alternative to cost-intensive standard equipment. After print, separation, detection and digital evaluation of five food dyes, mean R2 (n=5) were obtained between 0.9977 and 0.9995. The accuracy of printing was proven by mean recovery rates of 101-105\\% with repeatabilities of 3-7\\% (\\%RSD, n=5). The transfer to nanostructured ultrathin-layer plates proved the synergetic potential of these fields of research. First, this modified printer was suited for printing of finely graduated scales of three preservatives for determination of the spatial resolution of scanning Direct Analysis in Real Time mass spectrometry.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Häbe, Tim T. and Morlock, Gertrud E.},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {127--134},\n}\n\n\n\n
\n
\n\n\n
\n Office Chromatography combines achievements in office technologies with miniaturized planar chromatography. In the life sciences, printing of materials became an accepted technique, whereas in separation science, the use of printers for chromatography is at its infancy. A bubble-jet printer was modified for exact application on miniaturized plates. Technical modifications included the removal of all unnecessary parts and the improvement of the positioning system, purge unit and sample supply system. Evaluation was performed via a slide scanner and image evaluation software. Printing of a food dye mixture solution (n=5) led to a calculated mean deposition volume of 13±1nL/mm2 per print-cycle. A mean determination coefficient (R2; n=5) of 0.9990 was obtained for application of increasing volumes, executed via increasing band widths of 50-200μm (corresponding to 2-8nL). Using larger band widths and multiple print jobs, deposition volumes of up to the microliter scale represented an alternative to cost-intensive standard equipment. After print, separation, detection and digital evaluation of five food dyes, mean R2 (n=5) were obtained between 0.9977 and 0.9995. The accuracy of printing was proven by mean recovery rates of 101-105% with repeatabilities of 3-7% (%RSD, n=5). The transfer to nanostructured ultrathin-layer plates proved the synergetic potential of these fields of research. First, this modified printer was suited for printing of finely graduated scales of three preservatives for determination of the spatial resolution of scanning Direct Analysis in Real Time mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Determination of T-2 and HT-2 toxins from maize by direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Busman, M.; and Maragos, C.\n\n\n \n\n\n\n World Mycotoxin Journal, 8(4): 489–497. August 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{busman_determination_2015,\n\ttitle = {Determination of {T}-2 and {HT}-2 toxins from maize by direct analysis in real time mass spectrometry},\n\tvolume = {8},\n\tissn = {1875-0710, 1875-0796},\n\turl = {http://www.wageningenacademic.com/doi/10.3920/WMJ2014.1854},\n\tdoi = {10.3920/WMJ2014.1854},\n\tabstract = {Direct analysis in real time (DART) ionisation coupled to mass spectrometry (MS) was used for the rapid quantitative analysis of T-2 toxin (T-2) and the related HT-2 toxin (HT-2), extracted from maize. Sample preparation procedures and instrument parameters were optimised to obtain sensitive and accurate determination of the toxins. The lowest calibration levels were 50 μg/kg for T-2 and 300 μg/kg for HT-2. Quantitative analysis was performed with the use of matrix-matched standards employing the 13C-labelled internal standard for T-2. DART-MS of maize extracts spiked with T-2 gave a linear response over the range of 50-1000 μg/kg. With the isotope dilution technique, good recoveries (99-110\\%) and repeatabilities (relative standard deviaiton 7.4-11.6\\%) were obtained at T-2 spiking levels of 100 and 1000 μg/kg. Adaptability of the developed method was demonstrated by analysis of T-2 and HT-2 from an oat flour quality control material. The results here further indicate the potential for application of ambient ionisation mass spectrometry to provide accurate, convenient quantitation of mycotoxins from grains.},\n\tlanguage = {en},\n\tnumber = {4},\n\turldate = {2016-01-28},\n\tjournal = {World Mycotoxin Journal},\n\tauthor = {Busman, M. and Maragos, C.M.},\n\tmonth = aug,\n\tyear = {2015},\n\tpages = {489--497},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) ionisation coupled to mass spectrometry (MS) was used for the rapid quantitative analysis of T-2 toxin (T-2) and the related HT-2 toxin (HT-2), extracted from maize. Sample preparation procedures and instrument parameters were optimised to obtain sensitive and accurate determination of the toxins. The lowest calibration levels were 50 μg/kg for T-2 and 300 μg/kg for HT-2. Quantitative analysis was performed with the use of matrix-matched standards employing the 13C-labelled internal standard for T-2. DART-MS of maize extracts spiked with T-2 gave a linear response over the range of 50-1000 μg/kg. With the isotope dilution technique, good recoveries (99-110%) and repeatabilities (relative standard deviaiton 7.4-11.6%) were obtained at T-2 spiking levels of 100 and 1000 μg/kg. Adaptability of the developed method was demonstrated by analysis of T-2 and HT-2 from an oat flour quality control material. The results here further indicate the potential for application of ambient ionisation mass spectrometry to provide accurate, convenient quantitation of mycotoxins from grains.\n
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\n \n\n \n \n \n \n \n \n Detection of nicotine as an indicator of tobacco smoke by direct analysis in real time (DART) tandem mass spectrometry.\n \n \n \n \n\n\n \n Kuki, Á.; Nagy, L.; Nagy, T.; Zsuga, M.; and Kéki, S.\n\n\n \n\n\n\n Atmospheric Environment, 100: 74–77. January 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{kuki_detection_2015,\n\ttitle = {Detection of nicotine as an indicator of tobacco smoke by direct analysis in real time ({DART}) tandem mass spectrometry},\n\tvolume = {100},\n\tissn = {13522310},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1352231014008437},\n\tdoi = {10.1016/j.atmosenv.2014.10.046},\n\tabstract = {The residual tobacco smoke contamination (thirdhand smoke, THS) on the clothes of a smoker was examined by direct analysis in real time (DART) mass spectrometry. DART-MS enabled sensitive and selective analysis of nicotine as the indicator of tobacco smoke pollution. Tandem mass spectrometric (MS/MS) experiments were also performed to confirm the identification of nicotine. Transferred thirdhand smoke originated from the fingers of a smoker onto other objects was also detected by DART mass spectrometry. DART-MS/MS was utilized for monitoring the secondhand tobacco smoke (SHS) in the air of the laboratory using nicotine as an indicator. To the best of our knowledge, this is the first report on the application of DART-MS and DART-MS/MS to the detection of thirdhand smoke and to the monitoring of secondhand smoke.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Atmospheric Environment},\n\tauthor = {Kuki, Ákos and Nagy, Lajos and Nagy, Tibor and Zsuga, Miklós and Kéki, Sándor},\n\tmonth = jan,\n\tyear = {2015},\n\tpages = {74--77},\n}\n\n\n\n
\n
\n\n\n
\n The residual tobacco smoke contamination (thirdhand smoke, THS) on the clothes of a smoker was examined by direct analysis in real time (DART) mass spectrometry. DART-MS enabled sensitive and selective analysis of nicotine as the indicator of tobacco smoke pollution. Tandem mass spectrometric (MS/MS) experiments were also performed to confirm the identification of nicotine. Transferred thirdhand smoke originated from the fingers of a smoker onto other objects was also detected by DART mass spectrometry. DART-MS/MS was utilized for monitoring the secondhand tobacco smoke (SHS) in the air of the laboratory using nicotine as an indicator. To the best of our knowledge, this is the first report on the application of DART-MS and DART-MS/MS to the detection of thirdhand smoke and to the monitoring of secondhand smoke.\n
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\n \n\n \n \n \n \n \n \n Analysis of the cyanolichen Lichina pygmaea metabolites using in situ DART-MS: from detection to thermochemistry of mycosporine serinol: DART-MS of cyanolichen Lichina pygmea metabolites.\n \n \n \n \n\n\n \n Le Pogam, P.; Legouin, B.; Le Lamer, A.; Boustie, J.; and Rondeau, D.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 50(3): 454–462. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{le_pogam_analysis_2015,\n\ttitle = {Analysis of the cyanolichen {Lichina} pygmaea metabolites using in situ {DART}-{MS}: from detection to thermochemistry of mycosporine serinol: {DART}-{MS} of cyanolichen {Lichina} pygmea metabolites},\n\tvolume = {50},\n\tissn = {10765174},\n\tshorttitle = {Analysis of the cyanolichen \\textit{{Lichina} pygmaea} metabolites using \\textit{in situ} {DART}-{MS}},\n\turl = {http://doi.wiley.com/10.1002/jms.3549},\n\tdoi = {10.1002/jms.3549},\n\tabstract = {Direct Analysis in Real Time DART-HRMS is here first applied to the detection of molecules from a lichen, Lichina pygmaea. The aim was to propose an innovative method of in situ detection of lichen secondary metabolites using the possibilities of elemental composition determination available when a DART source is interfaced with a TOF analyzer. Three kinds of samples have been submitted to DART ionization, i.e. an intact thallus, a powder obtained from the crushed lichen and an aqueous extract. In situ analysis of crushed lichen, yields an extensive chemical profile, comparable to what is obtained from the aqueous extract, comprising both major polar metabolites described in literature along with some other signals that could correspond to potentially unknown metabolites. One of the detected secondary metabolites, mycosporine serinol, underwent a dehydration reaction prior to its transfer in the gas-phase by DART ionization. The consideration of the thermal transfers involved in the DART ionization process and the possibility to record time-dependent mass spectra through the use of the TOF analyzer allowed establishing Arrhenius plots of this water molecule loss to obtain associated thermodynamic quantities. The low values of corresponding activation enthalpy (Δr‡Hm of the order of 25kJmol-1) enabled formulating some assumption regarding a possible role of such metabolites in the lichen.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Le Pogam, Pierre and Legouin, Béatrice and Le Lamer, Anne-Cécile and Boustie, Joël and Rondeau, David},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {454--462},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time DART-HRMS is here first applied to the detection of molecules from a lichen, Lichina pygmaea. The aim was to propose an innovative method of in situ detection of lichen secondary metabolites using the possibilities of elemental composition determination available when a DART source is interfaced with a TOF analyzer. Three kinds of samples have been submitted to DART ionization, i.e. an intact thallus, a powder obtained from the crushed lichen and an aqueous extract. In situ analysis of crushed lichen, yields an extensive chemical profile, comparable to what is obtained from the aqueous extract, comprising both major polar metabolites described in literature along with some other signals that could correspond to potentially unknown metabolites. One of the detected secondary metabolites, mycosporine serinol, underwent a dehydration reaction prior to its transfer in the gas-phase by DART ionization. The consideration of the thermal transfers involved in the DART ionization process and the possibility to record time-dependent mass spectra through the use of the TOF analyzer allowed establishing Arrhenius plots of this water molecule loss to obtain associated thermodynamic quantities. The low values of corresponding activation enthalpy (Δr‡Hm of the order of 25kJmol-1) enabled formulating some assumption regarding a possible role of such metabolites in the lichen.\n
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\n \n\n \n \n \n \n \n \n Flexible Device for Direct Analysis in Real Time without Grid Electrode for Mass Spectrometric Analysis.\n \n \n \n \n\n\n \n Han, Y.; Zhang, Y.; Yang, Y.; Huang, Y.; and Xu, X.\n\n\n \n\n\n\n Chinese Journal of Analytical Chemistry, 43(3): 451–456. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"FlexiblePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{han_flexible_2015,\n\ttitle = {Flexible {Device} for {Direct} {Analysis} in {Real} {Time} without {Grid} {Electrode} for {Mass} {Spectrometric} {Analysis}},\n\tvolume = {43},\n\tissn = {18722040},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1872204015608131},\n\tdoi = {10.1016/S1872-2040(15)60813-1},\n\tabstract = {A flexible and simple direct analysis in real-time (DART) device was developed without grid electrode for mass spectrometer injection. It contained inert carrier gas, ionizer, heater and temperature-controller etc. By excluding the grid electrode and then reducing the structure units, the device could be easy to build up in low cost and flexible to connect with a variety of mass spectrometers. Under the optimum experimental conditions including argon carrier gas with a flow rate of 7.5 L min-1, and heat tape temperature of 300°C, the device was used to analyze benzene alcohol, linoleic acid, dichlorvos emulsion, mosquito coils, citrus peel, and sample (propranolol hydrochloride) on thin-layer plate combined with mass spectrometer. The results were accurate and showed the device was stable and reliable. Copyright © 2015, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-28},\n\tjournal = {Chinese Journal of Analytical Chemistry},\n\tauthor = {Han, Yu-Liang and Zhang, Yao-Li and Yang, Yu-Hui and Huang, Yu-Yu and Xu, Xu},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {451--456},\n}\n\n\n\n
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\n A flexible and simple direct analysis in real-time (DART) device was developed without grid electrode for mass spectrometer injection. It contained inert carrier gas, ionizer, heater and temperature-controller etc. By excluding the grid electrode and then reducing the structure units, the device could be easy to build up in low cost and flexible to connect with a variety of mass spectrometers. Under the optimum experimental conditions including argon carrier gas with a flow rate of 7.5 L min-1, and heat tape temperature of 300°C, the device was used to analyze benzene alcohol, linoleic acid, dichlorvos emulsion, mosquito coils, citrus peel, and sample (propranolol hydrochloride) on thin-layer plate combined with mass spectrometer. The results were accurate and showed the device was stable and reliable. Copyright © 2015, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences.\n
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\n \n\n \n \n \n \n \n \n Schlieren visualization of fluid dynamics effects in direct analysis in real time mass spectrometry: Schlieren DART-MS.\n \n \n \n \n\n\n \n Curtis, M.; Keelor, J. D.; Jones, C. M.; Pittman, J. J.; Jones, P. R.; Sparkman, O. D.; and Fernández, F. M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(5): 431–439. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"SchlierenPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{curtis_schlieren_2015,\n\ttitle = {Schlieren visualization of fluid dynamics effects in direct analysis in real time mass spectrometry: {Schlieren} {DART}-{MS}},\n\tvolume = {29},\n\tissn = {09514198},\n\tshorttitle = {Schlieren visualization of fluid dynamics effects in direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7119},\n\tdoi = {10.1002/rcm.7119},\n\tabstract = {Rationale The success of ambient analysis using plasma-based ion sources depends heavily on fluid dynamics and mass transport efficiency in the sample region. To help characterize the influence of these determining factors, visualization of the gas flow profile for a Direct Analysis in Real Time (DART) ion source at the mass spectrometer atmospheric pressure (AP) interface was performed using the Schlieren technique. Methods The DART helium flow pattern was imaged in model systems incorporating different interface designs, i.e. skimmer or capillary inlet, and for sampling strategies using several types of traditional DART sample probes including a glass capillary, swab, and drug tablet. Notably, Schlieren experiments were conducted on instruments equipped with the gas-ion separator tube (GIST) adapter and Vapur® pump, and on setups featuring the transmission mode (TM) DART module used in standard practice. Results DART sources were seen to expel a collimated, highly laminar helium stream across interface distances up to {\\textasciitilde}8 cm. The helium stream was robust to the influence of gas temperature (50-500 C) and flow rate (≤3.5 Lmin-1), but considerable DART gas deflection or full disruption was observed in each sampling scenario. The severity of the flow disturbance depended on probe size and placement, the GIST/Vapur® settings, or counter-current gas movements present at the interface. Conclusions The real-time Schlieren visualizations introduced in this work provide new insight on the fluid dynamics within the DART-MS sample gap while also helping to identify those experimental parameters requiring optimization for improved transmission.},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-01-28},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Curtis, Matthew and Keelor, Joel D. and Jones, Christina M. and Pittman, Jennifer J. and Jones, Patrick R. and Sparkman, O. David and Fernández, Facundo M.},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {431--439},\n}\n\n\n\n
\n
\n\n\n
\n Rationale The success of ambient analysis using plasma-based ion sources depends heavily on fluid dynamics and mass transport efficiency in the sample region. To help characterize the influence of these determining factors, visualization of the gas flow profile for a Direct Analysis in Real Time (DART) ion source at the mass spectrometer atmospheric pressure (AP) interface was performed using the Schlieren technique. Methods The DART helium flow pattern was imaged in model systems incorporating different interface designs, i.e. skimmer or capillary inlet, and for sampling strategies using several types of traditional DART sample probes including a glass capillary, swab, and drug tablet. Notably, Schlieren experiments were conducted on instruments equipped with the gas-ion separator tube (GIST) adapter and Vapur® pump, and on setups featuring the transmission mode (TM) DART module used in standard practice. Results DART sources were seen to expel a collimated, highly laminar helium stream across interface distances up to ~8 cm. The helium stream was robust to the influence of gas temperature (50-500 C) and flow rate (≤3.5 Lmin-1), but considerable DART gas deflection or full disruption was observed in each sampling scenario. The severity of the flow disturbance depended on probe size and placement, the GIST/Vapur® settings, or counter-current gas movements present at the interface. Conclusions The real-time Schlieren visualizations introduced in this work provide new insight on the fluid dynamics within the DART-MS sample gap while also helping to identify those experimental parameters requiring optimization for improved transmission.\n
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\n \n\n \n \n \n \n \n \n Rapid screening of 35 new psychoactive substances by ion mobility spectrometry (IMS) and direct analysis in real time (DART) coupled to quadrupole time-of-flight mass spectrometry (QTOF-MS): Rapid screening of New psychoactive substances by IMS and DART-QTOF-MS.\n \n \n \n \n\n\n \n Gwak, S.; and Almirall, J. R.\n\n\n \n\n\n\n Drug Testing and Analysis, 7(10): 884–893. October 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{gwak_rapid_2015,\n\ttitle = {Rapid screening of 35 new psychoactive substances by ion mobility spectrometry ({IMS}) and direct analysis in real time ({DART}) coupled to quadrupole time-of-flight mass spectrometry ({QTOF}-{MS}): {Rapid} screening of {New} psychoactive substances by {IMS} and {DART}-{QTOF}-{MS}},\n\tvolume = {7},\n\tissn = {19427603},\n\tshorttitle = {Rapid screening of 35 new psychoactive substances by ion mobility spectrometry ({IMS}) and direct analysis in real time ({DART}) coupled to quadrupole time-of-flight mass spectrometry ({QTOF}-{MS})},\n\turl = {http://doi.wiley.com/10.1002/dta.1783},\n\tdoi = {10.1002/dta.1783},\n\tabstract = {The recent propagation of new psychoactive substances (NPS) has led to the development of new techniques for the rapid characterization of controlled substances in this category. A commercial bench-top ion mobility spectrometer (IMS) with a 63Ni ionization source and a direct analysis in real time (DART) coupled to quadrupole time-of-flight (QTOF) were used for the rapid characterization of 35 NPS. The advantages of these techniques are fast response, ease of operation, and minimal sample preparation. The characteristic reduced mobilities of each substance are reported as are the mass spectra of the 35 compounds. The acquired product ion scan mass spectra were also compared to a library database constructed by QTOF with a electrospray ionization (ESI) source and showed a consistent relative abundance for each peak over time. A total of four seized drug samples provided by the local forensic laboratory were analyzed in order to demonstrate the utility of this approach. The results of this study suggest that both IMS and DART-QTOF are promising alternatives for the rapid screening and characterization of these new psychoactive substances.},\n\tlanguage = {en},\n\tnumber = {10},\n\turldate = {2016-01-28},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Gwak, Seongshin and Almirall, Jose R.},\n\tmonth = oct,\n\tyear = {2015},\n\tpages = {884--893},\n}\n\n\n\n
\n
\n\n\n
\n The recent propagation of new psychoactive substances (NPS) has led to the development of new techniques for the rapid characterization of controlled substances in this category. A commercial bench-top ion mobility spectrometer (IMS) with a 63Ni ionization source and a direct analysis in real time (DART) coupled to quadrupole time-of-flight (QTOF) were used for the rapid characterization of 35 NPS. The advantages of these techniques are fast response, ease of operation, and minimal sample preparation. The characteristic reduced mobilities of each substance are reported as are the mass spectra of the 35 compounds. The acquired product ion scan mass spectra were also compared to a library database constructed by QTOF with a electrospray ionization (ESI) source and showed a consistent relative abundance for each peak over time. A total of four seized drug samples provided by the local forensic laboratory were analyzed in order to demonstrate the utility of this approach. The results of this study suggest that both IMS and DART-QTOF are promising alternatives for the rapid screening and characterization of these new psychoactive substances.\n
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\n \n\n \n \n \n \n \n \n Analysis of Silicones Released from Household Items and Baby Articles by Direct Analysis in Real Time-Mass Spectrometry.\n \n \n \n \n\n\n \n Gross, J. H.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 26(3): 511–521. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{gross_analysis_2015,\n\ttitle = {Analysis of {Silicones} {Released} from {Household} {Items} and {Baby} {Articles} by {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry}},\n\tvolume = {26},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-014-1042-5},\n\tdoi = {10.1007/s13361-014-1042-5},\n\tabstract = {Direct analysis in real time-mass spectrometry (DART-MS) enables screening of articles of daily use made of polydimethylsiloxanes (PDMS), commonly known as silicone rubber, to assess their tendency to release low molecular weight silicone oligomers. DART-MS analyses were performed on a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. Flexible silicone baking molds, a watch band, and a dough scraper, as baby articles different brands of pacifiers, nipples, and a teething ring have been examined. While somewhat arbitrarily chosen, the set can be regarded as representative of household items, baby articles, and other objects made of silicone rubber. For comparison, two brands of silicone septa and as blanks a glass slide and a latex pacifier were included. Differences between the objects were mainly observed in terms of molecular weight distribution and occasional release of other compounds in addition to PDMS. Other than that, all objects made of silicone rubber released significant amounts of PDMS during DART analysis. To provide a coarse quantification, a calibration based on silicone oil was established, which delivered PDMS losses from 20 μg to {\\textgreater}100 μg during the 16-s period per measurement. Also, the extraction of baking molds in rapeseed oil demonstrated a PDMS release at the level of 1 μg mg-1. These findings indicate a potential health hazard from frequent or long-term use of such items. This work does not intend to blame certain brands of such articles. Nonetheless, a higher level of awareness of this source of daily silicone intake is suggested.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-28},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Gross, Jürgen H.},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {511--521},\n}\n\n\n\n
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\n Direct analysis in real time-mass spectrometry (DART-MS) enables screening of articles of daily use made of polydimethylsiloxanes (PDMS), commonly known as silicone rubber, to assess their tendency to release low molecular weight silicone oligomers. DART-MS analyses were performed on a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. Flexible silicone baking molds, a watch band, and a dough scraper, as baby articles different brands of pacifiers, nipples, and a teething ring have been examined. While somewhat arbitrarily chosen, the set can be regarded as representative of household items, baby articles, and other objects made of silicone rubber. For comparison, two brands of silicone septa and as blanks a glass slide and a latex pacifier were included. Differences between the objects were mainly observed in terms of molecular weight distribution and occasional release of other compounds in addition to PDMS. Other than that, all objects made of silicone rubber released significant amounts of PDMS during DART analysis. To provide a coarse quantification, a calibration based on silicone oil was established, which delivered PDMS losses from 20 μg to \\textgreater100 μg during the 16-s period per measurement. Also, the extraction of baking molds in rapeseed oil demonstrated a PDMS release at the level of 1 μg mg-1. These findings indicate a potential health hazard from frequent or long-term use of such items. This work does not intend to blame certain brands of such articles. Nonetheless, a higher level of awareness of this source of daily silicone intake is suggested.\n
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\n \n\n \n \n \n \n \n \n Mechanism and application of halogen bond induced fluorescence enhancement and iodine molecule cleavage in solution.\n \n \n \n \n\n\n \n Zou, W.; Lin, S.; Li, J.; Wei, H.; Zhang, X.; Shen, D.; Qiao, J.; Lian, H.; Xie, D.; and Ge, X.\n\n\n \n\n\n\n New J. Chem., 39(1): 262–272. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"MechanismPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zou_mechanism_2015,\n\ttitle = {Mechanism and application of halogen bond induced fluorescence enhancement and iodine molecule cleavage in solution},\n\tvolume = {39},\n\tissn = {1144-0546, 1369-9261},\n\turl = {http://xlink.rsc.org/?DOI=C4NJ01396D},\n\tdoi = {10.1039/C4NJ01396D},\n\tabstract = {In this paper, a strong halogen bond (XB) donor (iodine) and photoinduced electron transfer (PET) molecule (ciprofloxacin, Cip) were selected with the objective to investigate halogen bonding under weakly alkaline conditions. A series of experimental characterization techniques was employed to elucidate the interaction mechanism of the XB, in combination with theoretical calculations. It is found that new UV-Vis absorption peaks and the fluorescence enhancement with the mixing of Cip and iodine are attributed to the disruption of the PET charge separation process through the halogen bonding interaction. The 2:1 stoichiometry of the XB complex (I2:Cip) was attested using a modified Benesi-Hildebrand method. 1H NMR spectra showed that the iodine molecule can interact with three nitrogen atoms of Cip to form three XBs. FT-IR spectra indicated that the nitrogen atom of the imino group is the preferential interaction site of the XB. Notably, direct analysis in real time-mass spectrometry (DART-MS) gave a distinct quasi-molecular ion of the supramolecular complex (Cip + I) in solution. Meanwhile, density functional theory (DFT), taking into account the dispersion energy, revealed that the formation of an I⋯N XB not only disrupts the PET charge separation process of Cip to enhance fluorescence but also induces the cleavage of an iodine molecule (I-I) to produce a triiodine anion (I3 -) XB. This explained why I3 - was observed in UV-Vis and DART-MS as well as in the crystal, and how the fourth iodine atom involved in the self-assembly of the XB existed stably. Moreover, a developed optosensor based on halogen bonding has been successfully used to analyze commercial Cip·HCl capsules, suggesting the potential applicability of halogen bonding in real pharmaceutical analyses.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {New J. Chem.},\n\tauthor = {Zou, Wen-Sheng and Lin, Sen and Li, Jia-Yuan and Wei, Hong-Qing and Zhang, Xiao-Qin and Shen, Dong-Xu and Qiao, Jun-Qin and Lian, Hong-Zhen and Xie, Dai-Qian and Ge, Xin},\n\tyear = {2015},\n\tpages = {262--272},\n}\n\n\n\n
\n
\n\n\n
\n In this paper, a strong halogen bond (XB) donor (iodine) and photoinduced electron transfer (PET) molecule (ciprofloxacin, Cip) were selected with the objective to investigate halogen bonding under weakly alkaline conditions. A series of experimental characterization techniques was employed to elucidate the interaction mechanism of the XB, in combination with theoretical calculations. It is found that new UV-Vis absorption peaks and the fluorescence enhancement with the mixing of Cip and iodine are attributed to the disruption of the PET charge separation process through the halogen bonding interaction. The 2:1 stoichiometry of the XB complex (I2:Cip) was attested using a modified Benesi-Hildebrand method. 1H NMR spectra showed that the iodine molecule can interact with three nitrogen atoms of Cip to form three XBs. FT-IR spectra indicated that the nitrogen atom of the imino group is the preferential interaction site of the XB. Notably, direct analysis in real time-mass spectrometry (DART-MS) gave a distinct quasi-molecular ion of the supramolecular complex (Cip + I) in solution. Meanwhile, density functional theory (DFT), taking into account the dispersion energy, revealed that the formation of an I⋯N XB not only disrupts the PET charge separation process of Cip to enhance fluorescence but also induces the cleavage of an iodine molecule (I-I) to produce a triiodine anion (I3 -) XB. This explained why I3 - was observed in UV-Vis and DART-MS as well as in the crystal, and how the fourth iodine atom involved in the self-assembly of the XB existed stably. Moreover, a developed optosensor based on halogen bonding has been successfully used to analyze commercial Cip·HCl capsules, suggesting the potential applicability of halogen bonding in real pharmaceutical analyses.\n
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\n \n\n \n \n \n \n \n \n Differentiation of Disaccharide Isomers by Temperature-Dependent In-Source Decay (TDISD) and DART-Q-TOF MS/MS.\n \n \n \n \n\n\n \n Yang, H.; Shi, L.; Yao, W.; Wang, Y.; Huang, L.; Wan, D.; and Liu, S.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 26(9): 1599–1605. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DifferentiationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{yang_differentiation_2015,\n\ttitle = {Differentiation of {Disaccharide} {Isomers} by {Temperature}-{Dependent} {In}-{Source} {Decay} ({TDISD}) and {DART}-{Q}-{TOF} {MS}/{MS}},\n\tvolume = {26},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-015-1192-0},\n\tdoi = {10.1007/s13361-015-1192-0},\n\tabstract = {Helium direct analysis in real time (He-DART) mass spectrometry (MS) of some compounds, polysaccharides, for example, usually tends to be challenging because of the occurrence of prominent in-source decay (ISD), which was considered as an undesired side reaction, as it complicated the resulting mass spectra. Our approach is to take advantage of an efficient and practical method termed the temperature-dependent ISD (TDISD) technique combined with fragmentation of the dehydrated dimers using DART Q-TOF tandem mass spectrometry for differentiation of disaccharide isomers. In this study, cross-ring cleavages and non-ovalent complexes were detected in the spectra of the saccharides. It was observed that the gas heater temperature had a significant effect on the absence or presence of signal in DART spectra. At high gas temperature, ions in high mass region began to appear. Based on the types of cross-ring cleavages and noncovalent complexes, disaccharide isomers with different linkage positions can be differentiated in both positive and negative ion modes at a lower DART gas temperature. Additionally, anomeric configurations were assigned on the basis of the relative abundance ratio of m/z 198:342 obtained by the comparison of the positive ion mode tandem mass spectrum of an α isomer dimer generated at higher DART gas temperature and that of the corresponding β one. In general, this method is easy, fast, effective, and robust for identifying disaccharide isomers.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-29},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Yang, Hongmei and Shi, Lei and Yao, Wenbin and Wang, Yang and Huang, Liang and Wan, Debin and Liu, Shuying},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {1599--1605},\n}\n\n\n\n
\n
\n\n\n
\n Helium direct analysis in real time (He-DART) mass spectrometry (MS) of some compounds, polysaccharides, for example, usually tends to be challenging because of the occurrence of prominent in-source decay (ISD), which was considered as an undesired side reaction, as it complicated the resulting mass spectra. Our approach is to take advantage of an efficient and practical method termed the temperature-dependent ISD (TDISD) technique combined with fragmentation of the dehydrated dimers using DART Q-TOF tandem mass spectrometry for differentiation of disaccharide isomers. In this study, cross-ring cleavages and non-ovalent complexes were detected in the spectra of the saccharides. It was observed that the gas heater temperature had a significant effect on the absence or presence of signal in DART spectra. At high gas temperature, ions in high mass region began to appear. Based on the types of cross-ring cleavages and noncovalent complexes, disaccharide isomers with different linkage positions can be differentiated in both positive and negative ion modes at a lower DART gas temperature. Additionally, anomeric configurations were assigned on the basis of the relative abundance ratio of m/z 198:342 obtained by the comparison of the positive ion mode tandem mass spectrum of an α isomer dimer generated at higher DART gas temperature and that of the corresponding β one. In general, this method is easy, fast, effective, and robust for identifying disaccharide isomers.\n
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\n \n\n \n \n \n \n \n \n A High Throughput Ambient Mass Spectrometric Approach to Species Identification and Classification from Chemical Fingerprint Signatures.\n \n \n \n \n\n\n \n Musah, R. A.; Espinoza, E. O.; Cody, R. B.; Lesiak, A. D.; Christensen, E. D.; Moore, H. E.; Maleknia, S.; and Drijfhout, F. P.\n\n\n \n\n\n\n Scientific Reports, 5: 11520. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{musah_high_2015,\n\ttitle = {A {High} {Throughput} {Ambient} {Mass} {Spectrometric} {Approach} to {Species} {Identification} and {Classification} from {Chemical} {Fingerprint} {Signatures}},\n\tvolume = {5},\n\tissn = {2045-2322},\n\turl = {http://www.nature.com/articles/srep11520},\n\tdoi = {10.1038/srep11520},\n\tabstract = {A high throughput method for species identification and classification through chemometric processing of direct analysis in real time (DART) mass spectrometry-derived fingerprint signatures has been developed. The method entails introduction of samples to the open air space between the DART ion source and the mass spectrometer inlet, with the entire observed mass spectral fingerprint subjected to unsupervised hierarchical clustering processing. A range of both polar and non-polar chemotypes are instantaneously detected. The result is identification and species level classification based on the entire DART-MS spectrum. Here, we illustrate how the method can be used to: (1) distinguish between endangered woods regulated by the Convention for the International Trade of Endangered Flora and Fauna (CITES) treaty; (2) assess the origin and by extension the properties of biodiesel feedstocks; (3) determine insect species from analysis of puparial casings; (4) distinguish between psychoactive plants products; and (5) differentiate between Eucalyptus species. An advantage of the hierarchical clustering approach to processing of the DART-MS derived fingerprint is that it shows both similarities and differences between species based on their chemotypes. Furthermore, full knowledge of the identities of the constituents contained within the small molecule profile of analyzed samples is not required.},\n\turldate = {2016-01-28},\n\tjournal = {Scientific Reports},\n\tauthor = {Musah, Rabi A. and Espinoza, Edgard O. and Cody, Robert B. and Lesiak, Ashton D. and Christensen, Earl D. and Moore, Hannah E. and Maleknia, Simin and Drijfhout, Falko P.},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {11520},\n}\n\n\n\n
\n
\n\n\n
\n A high throughput method for species identification and classification through chemometric processing of direct analysis in real time (DART) mass spectrometry-derived fingerprint signatures has been developed. The method entails introduction of samples to the open air space between the DART ion source and the mass spectrometer inlet, with the entire observed mass spectral fingerprint subjected to unsupervised hierarchical clustering processing. A range of both polar and non-polar chemotypes are instantaneously detected. The result is identification and species level classification based on the entire DART-MS spectrum. Here, we illustrate how the method can be used to: (1) distinguish between endangered woods regulated by the Convention for the International Trade of Endangered Flora and Fauna (CITES) treaty; (2) assess the origin and by extension the properties of biodiesel feedstocks; (3) determine insect species from analysis of puparial casings; (4) distinguish between psychoactive plants products; and (5) differentiate between Eucalyptus species. An advantage of the hierarchical clustering approach to processing of the DART-MS derived fingerprint is that it shows both similarities and differences between species based on their chemotypes. Furthermore, full knowledge of the identities of the constituents contained within the small molecule profile of analyzed samples is not required.\n
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\n \n\n \n \n \n \n \n \n Rapid screening and distribution of bioactive compounds in different parts of Berberis petiolaris using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Singh, A.; Bajpai, V.; Srivastava, M.; Arya, K. R.; and Kumar, B.\n\n\n \n\n\n\n Journal of Pharmaceutical Analysis, 5(5): 332–335. October 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{singh_rapid_2015,\n\ttitle = {Rapid screening and distribution of bioactive compounds in different parts of {Berberis} petiolaris using direct analysis in real time mass spectrometry},\n\tvolume = {5},\n\tissn = {20951779},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S2095177915000520},\n\tdoi = {10.1016/j.jpha.2015.05.002},\n\tabstract = {Berberis petiolaris Wall. ex G. Don, an unexplored medicinal plant belonging to the family Berberidaceae, is a large deciduous shrub found in Western Himalaya between 1800–3000 m. Chemical profiling of fruit, leaf, root and stem was done by direct analysis in real time mass spectrometry followed by multivariate analysis for discrimination among the plant parts. The bioactive compounds, including magnoflorine, berberine, jatrorrhizine, thalifendine/berberrubine, demethyleneberberine, reticuline, 8-oxoberberine, N-methyltetrahydroberberine, tetrahydropalmatine, tetrahydroberberine and palmatine, were identified by their exact mass measurement and the corresponding molecular formula of each compound. A comparative study of distribution pattern for all these bioactive alkaloids showed qualitative and quantitative variations in different parts of B. petiolaris. Principal component analysis clearly discriminated each part of B. petiolaris plant.},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Pharmaceutical Analysis},\n\tauthor = {Singh, Awantika and Bajpai, Vikas and Srivastava, Mukesh and Arya, Kamal Ram and Kumar, Brijesh},\n\tmonth = oct,\n\tyear = {2015},\n\tpages = {332--335},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Berberis petiolaris Wall. ex G. Don, an unexplored medicinal plant belonging to the family Berberidaceae, is a large deciduous shrub found in Western Himalaya between 1800–3000 m. Chemical profiling of fruit, leaf, root and stem was done by direct analysis in real time mass spectrometry followed by multivariate analysis for discrimination among the plant parts. The bioactive compounds, including magnoflorine, berberine, jatrorrhizine, thalifendine/berberrubine, demethyleneberberine, reticuline, 8-oxoberberine, N-methyltetrahydroberberine, tetrahydropalmatine, tetrahydroberberine and palmatine, were identified by their exact mass measurement and the corresponding molecular formula of each compound. A comparative study of distribution pattern for all these bioactive alkaloids showed qualitative and quantitative variations in different parts of B. petiolaris. Principal component analysis clearly discriminated each part of B. petiolaris plant.\n
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\n \n\n \n \n \n \n \n \n Using non-targeted direct analysis in real time-mass spectrometry (DART-MS) to discriminate seeds based on endogenous or exogenous chemicals.\n \n \n \n \n\n\n \n Subbaraj, A. K.; Barrett, B. A.; Wakelin, S. A.; and Fraser, K.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 407(26): 8047–8058. October 2015.\n \n\n\n\n
\n\n\n\n \n \n \"UsingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{subbaraj_using_2015,\n\ttitle = {Using non-targeted direct analysis in real time-mass spectrometry ({DART}-{MS}) to discriminate seeds based on endogenous or exogenous chemicals},\n\tvolume = {407},\n\tissn = {1618-2642, 1618-2650},\n\turl = {http://link.springer.com/10.1007/s00216-015-8977-7},\n\tdoi = {10.1007/s00216-015-8977-7},\n\tabstract = {Forage seeds are a highly traded agricultural commodity, and therefore, quality control and assurance is high priority. In this study, we have used direct analysis in real time-mass spectrometry (DART-MS) as a tool to discriminate forage seeds based on their non-targeted chemical profiles. In the first experiment, two lots of perennial ryegrass (Lolium perenne L.) seed were discriminated based on exogenous residues of N-(3, 4-dichlorophenyl)-N,N-dimethylurea (DiuronTM), a herbicide. In a separate experiment, washed and unwashed seeds of the forage legumes white clover (Trifolium repens L.) and alfalfa (Medicago sativa L.) were discriminated based on the presence or absence of oxylipins, a class of endogenous antimicrobial compounds. Unwashed seeds confer toxicity towards symbiotic, nitrogen-fixing rhizobia which are routinely coated on legume seeds before planting, resulting in reduced rhizobial count. This is the first report of automatic introduction of intact seeds in the DART ion source and detecting oxylipins using DART-MS. Apart from providing scope to investigate legume-rhizobia symbiosis further in the context of oxylipins, the results presented here will enable future studies aimed at classification of seeds based on chemicals bound to the seed coat, thereby offering an efficient screening device for industry.},\n\tlanguage = {en},\n\tnumber = {26},\n\turldate = {2016-01-29},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Subbaraj, Arvind K. and Barrett, Brent A. and Wakelin, Steve A. and Fraser, Karl},\n\tmonth = oct,\n\tyear = {2015},\n\tpages = {8047--8058},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Forage seeds are a highly traded agricultural commodity, and therefore, quality control and assurance is high priority. In this study, we have used direct analysis in real time-mass spectrometry (DART-MS) as a tool to discriminate forage seeds based on their non-targeted chemical profiles. In the first experiment, two lots of perennial ryegrass (Lolium perenne L.) seed were discriminated based on exogenous residues of N-(3, 4-dichlorophenyl)-N,N-dimethylurea (DiuronTM), a herbicide. In a separate experiment, washed and unwashed seeds of the forage legumes white clover (Trifolium repens L.) and alfalfa (Medicago sativa L.) were discriminated based on the presence or absence of oxylipins, a class of endogenous antimicrobial compounds. Unwashed seeds confer toxicity towards symbiotic, nitrogen-fixing rhizobia which are routinely coated on legume seeds before planting, resulting in reduced rhizobial count. This is the first report of automatic introduction of intact seeds in the DART ion source and detecting oxylipins using DART-MS. Apart from providing scope to investigate legume-rhizobia symbiosis further in the context of oxylipins, the results presented here will enable future studies aimed at classification of seeds based on chemicals bound to the seed coat, thereby offering an efficient screening device for industry.\n
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\n \n\n \n \n \n \n \n \n Rapid detection of sugar alcohol precursors and corresponding nitrate ester explosives using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Sisco, E.; and Forbes, T. P.\n\n\n \n\n\n\n The Analyst, 140(8): 2785–2796. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sisco_rapid_2015,\n\ttitle = {Rapid detection of sugar alcohol precursors and corresponding nitrate ester explosives using direct analysis in real time mass spectrometry},\n\tvolume = {140},\n\tissn = {0003-2654, 1364-5528},\n\turl = {http://xlink.rsc.org/?DOI=C4AN02347A},\n\tdoi = {10.1039/C4AN02347A},\n\tabstract = {This work highlights the rapid detection of nitrate ester explosives and their sugar alcohol precursors by direct analysis in real time mass spectrometry (DART-MS) using an off-axis geometry. Demonstration of the effect of various parameters, such as ion polarity and in-source collision induced dissociation (CID) on the detection of these compounds is presented. Sensitivity of sugar alcohols and nitrate ester explosives was found to be greatest in negative ion mode with sensitivities ranging from hundreds of picograms to hundreds of nanograms, depending on the characteristics of the particular molecule. Altering the in-source CID potential allowed for acquisition of characteristic molecular ion spectra as well as fragmentation spectra. Additional studies were completed to identify the role of different experimental parameters on the sensitivity for these compounds. Variables that were examined included the DART gas stream temperature, the presence of a related compound (i.e., the effect of a precursor on the detection of a nitrate ester explosive), incorporation of dopant species and the role of the analysis surface. It was determined that each variable affected the response and detection of both sugar alcohols and the corresponding nitrate ester explosives. From this work, a rapid and sensitive method for the detection of individual sugar alcohols and corresponding nitrate ester explosives, or mixtures of the two, has been developed, providing a useful tool in the real-world identification of homemade explosives.},\n\tlanguage = {en},\n\tnumber = {8},\n\turldate = {2016-01-29},\n\tjournal = {The Analyst},\n\tauthor = {Sisco, Edward and Forbes, Thomas P.},\n\tyear = {2015},\n\tpages = {2785--2796},\n}\n\n\n\n
\n
\n\n\n
\n This work highlights the rapid detection of nitrate ester explosives and their sugar alcohol precursors by direct analysis in real time mass spectrometry (DART-MS) using an off-axis geometry. Demonstration of the effect of various parameters, such as ion polarity and in-source collision induced dissociation (CID) on the detection of these compounds is presented. Sensitivity of sugar alcohols and nitrate ester explosives was found to be greatest in negative ion mode with sensitivities ranging from hundreds of picograms to hundreds of nanograms, depending on the characteristics of the particular molecule. Altering the in-source CID potential allowed for acquisition of characteristic molecular ion spectra as well as fragmentation spectra. Additional studies were completed to identify the role of different experimental parameters on the sensitivity for these compounds. Variables that were examined included the DART gas stream temperature, the presence of a related compound (i.e., the effect of a precursor on the detection of a nitrate ester explosive), incorporation of dopant species and the role of the analysis surface. It was determined that each variable affected the response and detection of both sugar alcohols and the corresponding nitrate ester explosives. From this work, a rapid and sensitive method for the detection of individual sugar alcohols and corresponding nitrate ester explosives, or mixtures of the two, has been developed, providing a useful tool in the real-world identification of homemade explosives.\n
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\n \n\n \n \n \n \n \n \n Aerogel dust collection for in situ mass spectrometry analysis.\n \n \n \n \n\n\n \n Jones, S.; Anderson, M.; Davies, A.; Kirby, J.; Burchell, M.; and Cole, M.\n\n\n \n\n\n\n Icarus, 247: 71–76. February 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AerogelPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jones_aerogel_2015,\n\ttitle = {Aerogel dust collection for in situ mass spectrometry analysis},\n\tvolume = {247},\n\tissn = {00191035},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0019103514005223},\n\tdoi = {10.1016/j.icarus.2014.09.047},\n\tabstract = {The current technique for conducting in situ mass spectroscopic analysis of dust around extraterrestrial bodies is to have the dust impact a solid plate and analyze the atoms and molecular fragments resulting from the high speed impact. Due to the fact that the kinetic energy from the impact is converted primarily to thermal energy, much of the organic compounds present in the dust may be significantly altered or destroyed. To avoid this problem, aerogel could be used to capture the dust grains, largely intact, maintaining the integrity of the organic compounds in the interior of the dust grains. To demonstrate that organic molecules, present as minor components of silica particles, would survive hypervelocity capture in aerogel and can then be analyzed with mass spectrometry, several light gas gun impact tests and analyses were conducted. Fine particles containing polycyclic aromatic hydrocarbons (PAHs) were captured in aerogel at 5.5kms-1. The flow of metastable helium from a Direct Analysis Real Time (DART) source was used to desorb and ionize the organics, which were then analyzed with a mass spectrometer. The PAHs were detected and identified by the DART-MS, demonstrating that this method could be used on future flight instruments.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Icarus},\n\tauthor = {Jones, S.M. and Anderson, M.S. and Davies, A.G. and Kirby, J.P. and Burchell, M.J. and Cole, M.J.},\n\tmonth = feb,\n\tyear = {2015},\n\tpages = {71--76},\n}\n\n\n\n
\n
\n\n\n
\n The current technique for conducting in situ mass spectroscopic analysis of dust around extraterrestrial bodies is to have the dust impact a solid plate and analyze the atoms and molecular fragments resulting from the high speed impact. Due to the fact that the kinetic energy from the impact is converted primarily to thermal energy, much of the organic compounds present in the dust may be significantly altered or destroyed. To avoid this problem, aerogel could be used to capture the dust grains, largely intact, maintaining the integrity of the organic compounds in the interior of the dust grains. To demonstrate that organic molecules, present as minor components of silica particles, would survive hypervelocity capture in aerogel and can then be analyzed with mass spectrometry, several light gas gun impact tests and analyses were conducted. Fine particles containing polycyclic aromatic hydrocarbons (PAHs) were captured in aerogel at 5.5kms-1. The flow of metastable helium from a Direct Analysis Real Time (DART) source was used to desorb and ionize the organics, which were then analyzed with a mass spectrometer. The PAHs were detected and identified by the DART-MS, demonstrating that this method could be used on future flight instruments.\n
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\n \n\n \n \n \n \n \n \n Quantitative surface scanning by Direct Analysis in Real Time mass spectrometry: Quantitative surface scanning by DART-MS.\n \n \n \n \n\n\n \n Häbe, T. T.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(6): 474–484. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{habe_quantitative_2015,\n\ttitle = {Quantitative surface scanning by {Direct} {Analysis} in {Real} {Time} mass spectrometry: {Quantitative} surface scanning by {DART}-{MS}},\n\tvolume = {29},\n\tissn = {09514198},\n\tshorttitle = {Quantitative surface scanning by {Direct} {Analysis} in {Real} {Time} mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7127},\n\tdoi = {10.1002/rcm.7127},\n\tabstract = {RATIONALE Only a few ambient ionization sources have been demonstrated to work quantitatively for surface scanning. A modification of the Direct Analysis in Real Time mass spectrometry (DART-MS) interface is needed to improve the precision during the scanning of a high-performance thin-layer chromatography (HPTLC) plate or any other surface or planar substrate, especially for quantitation without an internal standard correction. METHODS The substrate movement relative to the ion source outlet and the mass spectrometer inlet was optimized to improve the desorption, ionization, and capture of analytes. The substrate carrier was mounted at an angled position, thus reducing collisions between the deflected gas stream and the inner transfer tube wall. A special transfer tube, whose edge was angled towards the substrate and allowed a narrow set-up of the ambient air gap, captured the deflected DART gas stream. RESULTS For the repeated DART-MS scanning along five identical deposited bands of butyl-4-hydroxybenzoate a mean precision of 2.7\\% was obtained. A signal decay of 62\\% was observed after five scans. After HPTLC of methyl-4-hydroxybenzoate and butyl-4-hydroxybenzoate, mean determination coefficients of 0.9937 and 0.9906 were obtained for five calibrations on five plates, respectively. The mean recovery of two control standards was 94\\% with a mean repeatability of 9\\% (\\%RSD, n = 5) obtained on five different plates. CONCLUSIONS The DART SVPA-3DS system remained compact and the access to the substrate was kept wide open despite the optimized scan lane (spatial resolution at full width at half maximum 0.8 mm, height 3 mm). The performance data showed that the quantitative surface scanning was improved as well as the desorption efficacy and detectability using this modified DART-MS interface.},\n\tlanguage = {en},\n\tnumber = {6},\n\turldate = {2016-01-28},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Häbe, Tim T. and Morlock, Gertrud E.},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {474--484},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Only a few ambient ionization sources have been demonstrated to work quantitatively for surface scanning. A modification of the Direct Analysis in Real Time mass spectrometry (DART-MS) interface is needed to improve the precision during the scanning of a high-performance thin-layer chromatography (HPTLC) plate or any other surface or planar substrate, especially for quantitation without an internal standard correction. METHODS The substrate movement relative to the ion source outlet and the mass spectrometer inlet was optimized to improve the desorption, ionization, and capture of analytes. The substrate carrier was mounted at an angled position, thus reducing collisions between the deflected gas stream and the inner transfer tube wall. A special transfer tube, whose edge was angled towards the substrate and allowed a narrow set-up of the ambient air gap, captured the deflected DART gas stream. RESULTS For the repeated DART-MS scanning along five identical deposited bands of butyl-4-hydroxybenzoate a mean precision of 2.7% was obtained. A signal decay of 62% was observed after five scans. After HPTLC of methyl-4-hydroxybenzoate and butyl-4-hydroxybenzoate, mean determination coefficients of 0.9937 and 0.9906 were obtained for five calibrations on five plates, respectively. The mean recovery of two control standards was 94% with a mean repeatability of 9% (%RSD, n = 5) obtained on five different plates. CONCLUSIONS The DART SVPA-3DS system remained compact and the access to the substrate was kept wide open despite the optimized scan lane (spatial resolution at full width at half maximum 0.8 mm, height 3 mm). The performance data showed that the quantitative surface scanning was improved as well as the desorption efficacy and detectability using this modified DART-MS interface.\n
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\n \n\n \n \n \n \n \n \n Sensitivity and intensity enhancement in open air mass spectrometry assisted with a continuous wave infrared laser.\n \n \n \n \n\n\n \n Lu, Y.; Zhou, Y. S.; Qiu, W.; Huang, X.; Gao, Y.; Liu, L.; Lei, Y. T.; Zhang, T. C.; Jiang, L.; Silvain, J. F.; and Lu, Y. F.\n\n\n \n\n\n\n J. Anal. At. Spectrom., 30(7): 1663–1667. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"SensitivityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lu_sensitivity_2015,\n\ttitle = {Sensitivity and intensity enhancement in open air mass spectrometry assisted with a continuous wave infrared laser},\n\tvolume = {30},\n\tissn = {0267-9477, 1364-5544},\n\turl = {http://xlink.rsc.org/?DOI=C5JA00084J},\n\tdoi = {10.1039/C5JA00084J},\n\tabstract = {To improve signal-to-noise ratios (SNRs) in open air mass spectrometry, a laser-assisted, direct-analysis-in-real-time (DART) mass spectrometer (LA-DART-MS) was developed by integrating a continuous wave (CW) infrared (IR) laser into an open air DART-MS. The CW IR laser (wavelength of 1070 nm) was used to assist the desorption of analytes and promote the reactivity of protonated water from the DART ion source. Using the LA-DART-MS, SNRs of Rhodamine 6G (R6G), urea, and testosterone were enhanced by factors of 31, 11, and 4, respectively, compared with the conventional DART-MS. The sensitivity enhancement was ascribed to the increased analyte concentration in air and activated protonated water induced by the IR laser irradiation.},\n\tlanguage = {en},\n\tnumber = {7},\n\turldate = {2016-01-28},\n\tjournal = {J. Anal. At. Spectrom.},\n\tauthor = {Lu, Y. and Zhou, Y. S. and Qiu, W. and Huang, X. and Gao, Y. and Liu, L. and Lei, Y. T. and Zhang, T. C. and Jiang, L. and Silvain, J. F. and Lu, Y. F.},\n\tyear = {2015},\n\tpages = {1663--1667},\n}\n\n\n\n
\n
\n\n\n
\n To improve signal-to-noise ratios (SNRs) in open air mass spectrometry, a laser-assisted, direct-analysis-in-real-time (DART) mass spectrometer (LA-DART-MS) was developed by integrating a continuous wave (CW) infrared (IR) laser into an open air DART-MS. The CW IR laser (wavelength of 1070 nm) was used to assist the desorption of analytes and promote the reactivity of protonated water from the DART ion source. Using the LA-DART-MS, SNRs of Rhodamine 6G (R6G), urea, and testosterone were enhanced by factors of 31, 11, and 4, respectively, compared with the conventional DART-MS. The sensitivity enhancement was ascribed to the increased analyte concentration in air and activated protonated water induced by the IR laser irradiation.\n
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\n \n\n \n \n \n \n \n \n Rapid analysis of four Sudan dyes using direct analysis in real time-mass spectrometry.\n \n \n \n \n\n\n \n Li, Z.; Zhang, Y.; Zhang, Y.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Anal. Methods, 7(1): 86–90. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_rapid_2015,\n\ttitle = {Rapid analysis of four {Sudan} dyes using direct analysis in real time-mass spectrometry},\n\tvolume = {7},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C4AY02409E},\n\tdoi = {10.1039/C4AY02409E},\n\tabstract = {A simple direct analysis in a real time-mass spectrometry (DART-MS) method was developed for the rapid determination of four Sudan dyes (I-IV) in chili powder. Simple liquid extraction by hexane without further clean-up was used for sample preparation. DART parameters were systematically optimized to achieve the best detection performance. A DIP-it sampler was used for automatic sampling. The matrix effect was measured by comparing the limit of detection (LOD) in matrix solution with that in pure organic solution. Eventually, the identification of the Sudan dyes was confirmed by MS/MS results and the LODs for four analytes in matrix solution were ∼0.5 μg mL-1. The method showed good linearity with correlation coefficients (R2) greater than 0.99 for concentrations ranging from 1 to 20 μg mL-1. The whole analytical process could be completed within 15 minutes with good recoveries (88-116\\%) and satisfactory repeatability ({\\textless}26\\%, n = 3).},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Anal. Methods},\n\tauthor = {Li, Ze and Zhang, Yi-Wei and Zhang, Yi-Ding and Bai, Yu and Liu, Hu-Wei},\n\tyear = {2015},\n\tpages = {86--90},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n A simple direct analysis in a real time-mass spectrometry (DART-MS) method was developed for the rapid determination of four Sudan dyes (I-IV) in chili powder. Simple liquid extraction by hexane without further clean-up was used for sample preparation. DART parameters were systematically optimized to achieve the best detection performance. A DIP-it sampler was used for automatic sampling. The matrix effect was measured by comparing the limit of detection (LOD) in matrix solution with that in pure organic solution. Eventually, the identification of the Sudan dyes was confirmed by MS/MS results and the LODs for four analytes in matrix solution were ∼0.5 μg mL-1. The method showed good linearity with correlation coefficients (R2) greater than 0.99 for concentrations ranging from 1 to 20 μg mL-1. The whole analytical process could be completed within 15 minutes with good recoveries (88-116%) and satisfactory repeatability (\\textless26%, n = 3).\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Simultaneous determination of 3-chlorotyrosine and 3-nitrotyrosine in human plasma by direct analysis in real time–tandem mass spectrometry.\n \n \n \n \n\n\n \n Song, Y.; Liao, J.; Zha, C.; Wang, B.; and Liu, C. C.\n\n\n \n\n\n\n Acta Pharmaceutica Sinica B, 5(5): 482–486. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"SimultaneousPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{song_simultaneous_2015,\n\ttitle = {Simultaneous determination of 3-chlorotyrosine and 3-nitrotyrosine in human plasma by direct analysis in real time–tandem mass spectrometry},\n\tvolume = {5},\n\tissn = {22113835},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S2211383515001082},\n\tdoi = {10.1016/j.apsb.2015.07.004},\n\tabstract = {A novel method for the simultaneous determination of 3-nitrotyrosine (NT) and 3-chlorotyrosine (CT) in human plasma has been developed based on direct analysis in real time-tandem mass spectrometry (DART-MS/MS). Analysis was performed in the positive ionization mode using multiple reaction monitoring (MRM) of the ion transitions at m/z 216.2/170.1 for CT, m/z 227.2/181.1 for NT and m/z 230.2/184.2 for the internal standard, d3-NT. The assay was linear in the ranges 0.5-100μg/mL for CT and 4-100μg/mL for NT with corresponding limits of detection of 0.2 and 2μg/mL. Intra- and inter-day precisions and accuracies were respectively {\\textless}15\\% and ±15\\%. Matrix effects were also evaluated. The method is potentially useful for high throughput analysis although sensitivity needs to be improved before it can be applied in clinical research.},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-01-28},\n\tjournal = {Acta Pharmaceutica Sinica B},\n\tauthor = {Song, Yuqiao and Liao, Jie and Zha, Cheng and Wang, Bin and Liu, Charles C.},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {482--486},\n}\n\n\n\n
\n
\n\n\n
\n A novel method for the simultaneous determination of 3-nitrotyrosine (NT) and 3-chlorotyrosine (CT) in human plasma has been developed based on direct analysis in real time-tandem mass spectrometry (DART-MS/MS). Analysis was performed in the positive ionization mode using multiple reaction monitoring (MRM) of the ion transitions at m/z 216.2/170.1 for CT, m/z 227.2/181.1 for NT and m/z 230.2/184.2 for the internal standard, d3-NT. The assay was linear in the ranges 0.5-100μg/mL for CT and 4-100μg/mL for NT with corresponding limits of detection of 0.2 and 2μg/mL. Intra- and inter-day precisions and accuracies were respectively \\textless15% and ±15%. Matrix effects were also evaluated. The method is potentially useful for high throughput analysis although sensitivity needs to be improved before it can be applied in clinical research.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n In Situ Analysis for Herbal Pieces of Aconitum Plants by Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Zhou, F.; Zhu, H.; Liu, S.; Ma, K.; Song, F.; and Liu, Z.\n\n\n \n\n\n\n Chinese Journal of Chemistry, 33(2): 241–246. February 2015.\n \n\n\n\n
\n\n\n\n \n \n \"InPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhou_situ_2015,\n\ttitle = {In {Situ} {Analysis} for {Herbal} {Pieces} of {Aconitum} {Plants} by {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {33},\n\tissn = {1001604X},\n\turl = {http://doi.wiley.com/10.1002/cjoc.201400692},\n\tdoi = {10.1002/cjoc.201400692},\n\tabstract = {In this study, an extend application was developed to in situ analyze the herbal pieces of Aconitum plants by Direct Analysis in Real Time Mass Spectrometry (DART-MS). Nearly all aconitine-type alkaloids can be desorbed and ionized in this method, including diester diterpenoid aconitines (DDAs), monoester diterpenoid aconitines (MDAs) and some other diterpenoid aconitines. The spectra of in situ analysis for the herbal pieces of aconitum plants are similar with that of their extracts. Radix Aconiti and Radix Aconiti Kusnezoffii can be distinguished from each other by the intensity differences of character fragment ions from MDAs, such as m/z 586, 572, and 556. The qualified and unqualified herbal pieces can be also identified by the relative abundances of DDAs. The RSD of the relative abundances of some character ions at m/z 556, 586, and 590 were 13.53\\%, 4.03\\%, and 12.03\\%, respectively. So this in situ analytical method can identify both the types of Aconitum preparata and their quality. It provides the following advantages in the analysis of Chinese herbs: fast detection without much pretreatment, high-throughput analysis, and reduction of pollution without any organic solvent.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-01-28},\n\tjournal = {Chinese Journal of Chemistry},\n\tauthor = {Zhou, Feng and Zhu, Hongbin and Liu, Shu and Ma, Kang and Song, Fengrui and Liu, Zhiqiang},\n\tmonth = feb,\n\tyear = {2015},\n\tpages = {241--246},\n}\n\n\n\n
\n
\n\n\n
\n In this study, an extend application was developed to in situ analyze the herbal pieces of Aconitum plants by Direct Analysis in Real Time Mass Spectrometry (DART-MS). Nearly all aconitine-type alkaloids can be desorbed and ionized in this method, including diester diterpenoid aconitines (DDAs), monoester diterpenoid aconitines (MDAs) and some other diterpenoid aconitines. The spectra of in situ analysis for the herbal pieces of aconitum plants are similar with that of their extracts. Radix Aconiti and Radix Aconiti Kusnezoffii can be distinguished from each other by the intensity differences of character fragment ions from MDAs, such as m/z 586, 572, and 556. The qualified and unqualified herbal pieces can be also identified by the relative abundances of DDAs. The RSD of the relative abundances of some character ions at m/z 556, 586, and 590 were 13.53%, 4.03%, and 12.03%, respectively. So this in situ analytical method can identify both the types of Aconitum preparata and their quality. It provides the following advantages in the analysis of Chinese herbs: fast detection without much pretreatment, high-throughput analysis, and reduction of pollution without any organic solvent.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Microfabrication, separations, and detection by mass spectrometry on ultrathin-layer chromatography plates prepared via the low-pressure chemical vapor deposition of silicon nitride onto carbon nanotube templates.\n \n \n \n \n\n\n \n Kanyal, S. S.; Häbe, T. T.; Cushman, C. V.; Dhunna, M.; Roychowdhury, T.; Farnsworth, P. B.; Morlock, G. E.; and Linford, M. R.\n\n\n \n\n\n\n Journal of Chromatography A, 1404: 115–123. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"Microfabrication,Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{kanyal_microfabrication_2015,\n\ttitle = {Microfabrication, separations, and detection by mass spectrometry on ultrathin-layer chromatography plates prepared via the low-pressure chemical vapor deposition of silicon nitride onto carbon nanotube templates},\n\tvolume = {1404},\n\tissn = {00219673},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0021967315007633},\n\tdoi = {10.1016/j.chroma.2015.05.053},\n\tabstract = {Microfabrication of ultrathin-layer chromatography (UTLC) plates via conformal deposition of silicon nitride by low-pressure chemical vapor deposition onto patterned carbon nanotube (CNT) scaffolds was demonstrated. After removal of the CNTs and hydroxylation, the resulting UTLC phase showed no expansion or distortion of their microfeatures and the absence/reduction of remaining nitrogenic species. Developing time of a mixture of lipophilic dyes on this UTLC plates was 86\\% shorter than on high-performance thin-layer chromatography (HPTLC) plates. A water-soluble food dye mixture was also separated resulting in low band broadening and reduced developing time compared to HPTLC. For the latter example, mobile phase optimization on a single UTLC plate consisted of 14 developments with different mobile phases, each preceded by a plate prewashing step. The same plate was again reused for additional 11 separations under varying conditions resulting in a development procedure with a mean separation efficiency of 233,000. theoretical plates/m and a reduced mobile phase consumption of only 400. μL. This repeated use proved the physical robustness of the ultrathin layer and its resistance to damage. The layer was highly suited for hyphenation to ambient mass spectrometry, including desorption electrospray ionization (DESI) mass spectrometry imaging and direct analysis in real time (DART) mass spectrometry.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Kanyal, Supriya S. and Häbe, Tim T. and Cushman, Cody V. and Dhunna, Manan and Roychowdhury, Tuhin and Farnsworth, Paul B. and Morlock, Gertrud E. and Linford, Matthew. R.},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {115--123},\n}\n\n\n\n
\n
\n\n\n
\n Microfabrication of ultrathin-layer chromatography (UTLC) plates via conformal deposition of silicon nitride by low-pressure chemical vapor deposition onto patterned carbon nanotube (CNT) scaffolds was demonstrated. After removal of the CNTs and hydroxylation, the resulting UTLC phase showed no expansion or distortion of their microfeatures and the absence/reduction of remaining nitrogenic species. Developing time of a mixture of lipophilic dyes on this UTLC plates was 86% shorter than on high-performance thin-layer chromatography (HPTLC) plates. A water-soluble food dye mixture was also separated resulting in low band broadening and reduced developing time compared to HPTLC. For the latter example, mobile phase optimization on a single UTLC plate consisted of 14 developments with different mobile phases, each preceded by a plate prewashing step. The same plate was again reused for additional 11 separations under varying conditions resulting in a development procedure with a mean separation efficiency of 233,000. theoretical plates/m and a reduced mobile phase consumption of only 400. μL. This repeated use proved the physical robustness of the ultrathin layer and its resistance to damage. The layer was highly suited for hyphenation to ambient mass spectrometry, including desorption electrospray ionization (DESI) mass spectrometry imaging and direct analysis in real time (DART) mass spectrometry.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Ambient Ionization Techniques.\n \n \n \n \n\n\n \n Farré, M.; and Barceló, D.\n\n\n \n\n\n\n In Comprehensive Analytical Chemistry, volume 68, pages 245–273. Elsevier, 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{farre_ambient_2015,\n\ttitle = {Ambient {Ionization} {Techniques}},\n\tvolume = {68},\n\tisbn = {978-0-444-63340-8},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/B9780444633408000042},\n\tabstract = {The Food Authorities are intensifying their efforts to assess the risks to human health from the exposure to (natural and anthropogenic) food contaminants. Therefore, regular surveillance studies are required to monitor the increasing number of toxicant residues in food. In this sense, an essential component is the development of new analytical approaches to reduce sample manipulation time and analysis costs without compromising the reliability of the results.This chapter will assess the prospects of the different ambient ionization techniques such as the direct analysis in real time (DART), desorption atmospheric pressure chemical ionization (DAPCI), low-temperature plasma ionization (LTP), and atmospheric solids analysis probe (ASAP) coupled to various types of MS analyzers for both target and nontarget analysis of complex food matrices. The prospects of these techniques as a simple, high-throughput tool for qualitative confirmation of chemical identity; metabolomic fingerprinting/profiling; and quantification of food components are presented and discussed.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tbooktitle = {Comprehensive {Analytical} {Chemistry}},\n\tpublisher = {Elsevier},\n\tauthor = {Farré, Marinella and Barceló, Damià},\n\tyear = {2015},\n\tpages = {245--273},\n}\n\n\n\n
\n
\n\n\n
\n The Food Authorities are intensifying their efforts to assess the risks to human health from the exposure to (natural and anthropogenic) food contaminants. Therefore, regular surveillance studies are required to monitor the increasing number of toxicant residues in food. In this sense, an essential component is the development of new analytical approaches to reduce sample manipulation time and analysis costs without compromising the reliability of the results.This chapter will assess the prospects of the different ambient ionization techniques such as the direct analysis in real time (DART), desorption atmospheric pressure chemical ionization (DAPCI), low-temperature plasma ionization (LTP), and atmospheric solids analysis probe (ASAP) coupled to various types of MS analyzers for both target and nontarget analysis of complex food matrices. The prospects of these techniques as a simple, high-throughput tool for qualitative confirmation of chemical identity; metabolomic fingerprinting/profiling; and quantification of food components are presented and discussed.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry: a Powerful Tool for Fast Analysis.\n \n \n \n \n\n\n \n Li, X.; Wang, X.; Li, L.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Mass Spectrometry Letters, 6(1): 1–6. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_direct_2015,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry}: a {Powerful} {Tool} for {Fast} {Analysis}},\n\tvolume = {6},\n\tissn = {2233-4203},\n\tshorttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\turl = {http://koreascience.or.kr/journal/view.jsp?kj=E1MPSV&py=2015&vnc=v6n1&sp=1},\n\tdoi = {10.5478/MSL.2015.6.1.1},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) is one of the variants of ambient mass spectrometry. The ionization process of DART-MS is in open environment and only takes few seconds, so it is suitable for fast analysis. Actually, since its introduction in 2005, more and more attentions have been drawn to its various applications due to its excellent properties, e.g., fast analysis, and no or less sample preparation, high salt tolerance and so on. This review summarized the promising features of DART-MS, including its ionization mechanism, equipment modification, wide applications, coupling techniques and extraction strategies before analysis.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Mass Spectrometry Letters},\n\tauthor = {Li, Xianjiang and Wang, Xin and Li, Linnan and Bai, Yu and Liu, Huwei},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {1--6},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) is one of the variants of ambient mass spectrometry. The ionization process of DART-MS is in open environment and only takes few seconds, so it is suitable for fast analysis. Actually, since its introduction in 2005, more and more attentions have been drawn to its various applications due to its excellent properties, e.g., fast analysis, and no or less sample preparation, high salt tolerance and so on. This review summarized the promising features of DART-MS, including its ionization mechanism, equipment modification, wide applications, coupling techniques and extraction strategies before analysis.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Comparison of the applicability of mass spectrometer ion sources using a polarity-molecular weight scattergram with a 600 sample in-house chemical library.\n \n \n \n \n\n\n \n Sugimura, N.; Furuya, A.; Yatsu, T.; and Shibue, T.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 21(2): 91. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"ComparisonPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sugimura_comparison_2015,\n\ttitle = {Comparison of the applicability of mass spectrometer ion sources using a polarity-molecular weight scattergram with a 600 sample in-house chemical library},\n\tvolume = {21},\n\tissn = {1356-1049},\n\turl = {http://www.impublications.com/content/abstract?code=E21_0091},\n\tdoi = {10.1255/ejms.1345},\n\tabstract = {To provide a practical guideline for the selection of a mass spectrometer ion source, we compared the applicability of three types of ion source: direct analysis in real time (DART), electrospray ionization (ESI) and fast atom bombardment (FAB), using an in-house high-resolution mass spectrometry sample library consisting of approximately 600 compounds. The great majority of the compounds (92\\%), whose molecular weights (MWs) were broadly distributed between 150 and 1000, were detected using all the ion sources. Nevertheless, some compounds were not detected using specific ion sources. The use of FAB resulted in the highest sample detection rate ({\\textgreater}98\\%), whereas the detection rates obtained using DART and ESI were slightly lower ({\\textgreater}96\\%). A scattergram constructed using MW and topological polar surface area (tPSA) as a substitute for molecular polarity showed that the performance of ESI was weak in the low-MW ({\\textless}400), low-polarity (tPSA {\\textless} 60) area, whereas the performance of DART was weak in the high-MW ({\\textgreater}800) area. These results might provide guidelines for the selection of ion sources for inexperienced mass spectrometry users.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-01-28},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Sugimura, Natsuhiko and Furuya, Asami and Yatsu, Takahiro and Shibue, Toshimichi},\n\tyear = {2015},\n\tpages = {91},\n}\n\n\n\n
\n
\n\n\n
\n To provide a practical guideline for the selection of a mass spectrometer ion source, we compared the applicability of three types of ion source: direct analysis in real time (DART), electrospray ionization (ESI) and fast atom bombardment (FAB), using an in-house high-resolution mass spectrometry sample library consisting of approximately 600 compounds. The great majority of the compounds (92%), whose molecular weights (MWs) were broadly distributed between 150 and 1000, were detected using all the ion sources. Nevertheless, some compounds were not detected using specific ion sources. The use of FAB resulted in the highest sample detection rate (\\textgreater98%), whereas the detection rates obtained using DART and ESI were slightly lower (\\textgreater96%). A scattergram constructed using MW and topological polar surface area (tPSA) as a substitute for molecular polarity showed that the performance of ESI was weak in the low-MW (\\textless400), low-polarity (tPSA \\textless 60) area, whereas the performance of DART was weak in the high-MW (\\textgreater800) area. These results might provide guidelines for the selection of ion sources for inexperienced mass spectrometry users.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Quantification of patulin in fruit leathers by ultra-high-performance liquid chromatography-photodiode array (UPLC-PDA).\n \n \n \n \n\n\n \n Maragos, C. M.; Busman, M.; Ma, L.; and Bobell, J.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 32(7): 1164–1174. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"QuantificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{maragos_quantification_2015,\n\ttitle = {Quantification of patulin in fruit leathers by ultra-high-performance liquid chromatography-photodiode array ({UPLC}-{PDA})},\n\tvolume = {32},\n\tissn = {1944-0049, 1944-0057},\n\turl = {http://www.tandfonline.com/doi/full/10.1080/19440049.2015.1036383},\n\tdoi = {10.1080/19440049.2015.1036383},\n\tabstract = {Patulin is a mycotoxin commonly found in certain fruit and fruit products. For this reason many countries have established regulatory limits pertaining to, in particular, apple juice and apple products. Fruit leathers are produced by dehydrating fruit puree, leaving a sweet product that has a leathery texture. A recent report in the literature described the detection of patulin at substantial levels in fruit leathers. To investigate this further, an ultra-high-performance liquid chromatography-photodiode array (UPLC-PDA) method was developed for the sensitive detection of patulin in fruit leathers. Investigations were also made of the suitability of direct analysis in real time-mass spectrometry (DART-MS) for detection of patulin from the surface of fruit leathers. Results indicated DART-MS was insufficiently sensitive for quantification from the surface of home-style apple leathers, although patulin spiked onto the surface of leather or peel could be detected. The UPLC-PDA method was used to determine the fate of patulin during the preparation of home-made fruit leathers. Interestingly, when a home-style process was used, the patulin was not destroyed, but rather increased in concentration as the puree was dehydrated. The UPLC-PDA method was also used to screen for patulin in commercial fruit leathers. Of the 36 products tested, 14 were above the limit of detection (3.5 μg kg–1) and nine were above the limit of quantification (12 μg kg–1). Positive samples were confirmed by UPLC-MS/MS. Only one sample was found above the US regulatory limit for single-strength apple juice products (50 μg kg–1). These results suggest patulin can be concentrated during preparation and can be found in fruit leathers. The limited survey suggests that patulin is fairly prevalent in such commercial products, but that the levels are usually low.},\n\tlanguage = {en},\n\tnumber = {7},\n\turldate = {2016-01-28},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Maragos, Chris M. and Busman, Mark and Ma, Liang and Bobell, John},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {1164--1174},\n}\n\n\n\n
\n
\n\n\n
\n Patulin is a mycotoxin commonly found in certain fruit and fruit products. For this reason many countries have established regulatory limits pertaining to, in particular, apple juice and apple products. Fruit leathers are produced by dehydrating fruit puree, leaving a sweet product that has a leathery texture. A recent report in the literature described the detection of patulin at substantial levels in fruit leathers. To investigate this further, an ultra-high-performance liquid chromatography-photodiode array (UPLC-PDA) method was developed for the sensitive detection of patulin in fruit leathers. Investigations were also made of the suitability of direct analysis in real time-mass spectrometry (DART-MS) for detection of patulin from the surface of fruit leathers. Results indicated DART-MS was insufficiently sensitive for quantification from the surface of home-style apple leathers, although patulin spiked onto the surface of leather or peel could be detected. The UPLC-PDA method was used to determine the fate of patulin during the preparation of home-made fruit leathers. Interestingly, when a home-style process was used, the patulin was not destroyed, but rather increased in concentration as the puree was dehydrated. The UPLC-PDA method was also used to screen for patulin in commercial fruit leathers. Of the 36 products tested, 14 were above the limit of detection (3.5 μg kg–1) and nine were above the limit of quantification (12 μg kg–1). Positive samples were confirmed by UPLC-MS/MS. Only one sample was found above the US regulatory limit for single-strength apple juice products (50 μg kg–1). These results suggest patulin can be concentrated during preparation and can be found in fruit leathers. The limited survey suggests that patulin is fairly prevalent in such commercial products, but that the levels are usually low.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Evaluation of ice-tea quality by DART-TOF/MS: Evaluation of ice-tea quality by DART-TOF/MS.\n \n \n \n \n\n\n \n Rajchl, A.; Prchalová, J.; Kružík, V.; Ševčík, R.; and Čížková, H.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 50(11): 1214–1221. November 2015.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{rajchl_evaluation_2015,\n\ttitle = {Evaluation of ice-tea quality by {DART}-{TOF}/{MS}: {Evaluation} of ice-tea quality by {DART}-{TOF}/{MS}},\n\tvolume = {50},\n\tissn = {10765174},\n\tshorttitle = {Evaluation of ice-tea quality by {DART}-{TOF}/{MS}},\n\turl = {http://doi.wiley.com/10.1002/jms.3639},\n\tdoi = {10.1002/jms.3639},\n\tabstract = {DART (Direct Analysis in Real Time) coupled with Time-of-Flight Mass Spectrometry (TOF/MS) has been used for analyses of ice-teas. The article focuses on quality and authenticity of ice-teas as one of the most important tea-based products on the market. Twenty-one samples of ice-teas (black and green) were analysed. Selected compounds of ice-teas were determined: theobromine, caffeine, total phenolic compounds, total soluble solids, total amino acid concentration, preservatives and saccharides were determined. Fingerprints of DART-TOF/MS spectra were used for comprehensive assessment of the ice-tea samples. The DART-TOF/MS method was used for monitoring the following compounds: citric acid, caffeine, saccharides, artificial sweeteners (saccharin, acesulphame K), and preservatives (sorbic and benzoic acid), phosphoric acid and phenolic compounds. The measured data were subjected to a principal components analysis. The HPLC and DART-TOF/MS methods were compared in terms of determination of selected compounds (caffeine, benzoic acid, sorbic acid and saccharides) in the ice-teas. The DART-TOF/MS technique seems to be a suitable method for fast screening, testing quality and authenticity of tea-based products.},\n\tlanguage = {en},\n\tnumber = {11},\n\turldate = {2016-01-29},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Rajchl, Aleš and Prchalová, Jana and Kružík, Vojtěch and Ševčík, Rudolf and Čížková, Helena},\n\tmonth = nov,\n\tyear = {2015},\n\tpages = {1214--1221},\n}\n\n\n\n
\n
\n\n\n
\n DART (Direct Analysis in Real Time) coupled with Time-of-Flight Mass Spectrometry (TOF/MS) has been used for analyses of ice-teas. The article focuses on quality and authenticity of ice-teas as one of the most important tea-based products on the market. Twenty-one samples of ice-teas (black and green) were analysed. Selected compounds of ice-teas were determined: theobromine, caffeine, total phenolic compounds, total soluble solids, total amino acid concentration, preservatives and saccharides were determined. Fingerprints of DART-TOF/MS spectra were used for comprehensive assessment of the ice-tea samples. The DART-TOF/MS method was used for monitoring the following compounds: citric acid, caffeine, saccharides, artificial sweeteners (saccharin, acesulphame K), and preservatives (sorbic and benzoic acid), phosphoric acid and phenolic compounds. The measured data were subjected to a principal components analysis. The HPLC and DART-TOF/MS methods were compared in terms of determination of selected compounds (caffeine, benzoic acid, sorbic acid and saccharides) in the ice-teas. The DART-TOF/MS technique seems to be a suitable method for fast screening, testing quality and authenticity of tea-based products.\n
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\n \n\n \n \n \n \n \n \n Detection of “Bath Salt” Synthetic Cathinones and Metabolites in Urine via DART-MS and Solid Phase Microextraction.\n \n \n \n \n\n\n \n LaPointe, J.; Musselman, B.; O’Neill, T.; and Shepard, J. R. E.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 26(1): 159–165. January 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lapointe_detection_2015,\n\ttitle = {Detection of “{Bath} {Salt}” {Synthetic} {Cathinones} and {Metabolites} in {Urine} via {DART}-{MS} and {Solid} {Phase} {Microextraction}},\n\tvolume = {26},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-014-1006-9},\n\tdoi = {10.1007/s13361-014-1006-9},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {LaPointe, Joseph and Musselman, Brian and O’Neill, Teresa and Shepard, Jason R. E.},\n\tmonth = jan,\n\tyear = {2015},\n\tpages = {159--165},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time - high resolution mass spectrometry (DART-HRMS): a high throughput strategy for identification and quantification of anabolic steroid esters: DART-HRMS: a high throughput strategy for identification and quantification of anabolic steroid esters.\n \n \n \n \n\n\n \n Doué, M.; Dervilly-Pinel, G.; Pouponneau, K.; Monteau, F.; and Le Bizec, B.\n\n\n \n\n\n\n Drug Testing and Analysis, 7(7): 603–608. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{doue_direct_2015,\n\ttitle = {Direct analysis in real time - high resolution mass spectrometry ({DART}-{HRMS}): a high throughput strategy for identification and quantification of anabolic steroid esters: {DART}-{HRMS}: a high throughput strategy for identification and quantification of anabolic steroid esters},\n\tvolume = {7},\n\tissn = {19427603},\n\tshorttitle = {Direct analysis in real time - high resolution mass spectrometry ({DART}-{HRMS})},\n\turl = {http://doi.wiley.com/10.1002/dta.1727},\n\tdoi = {10.1002/dta.1727},\n\tabstract = {High throughput screening is essential for doping, forensic, and food safety laboratories. While hyphenated chromatography-mass spectrometry (MS) remains the approach of choice, recent ambient MS techniques, such as direct analysis in real time (DART), offer more rapid and more versatile strategies and thus gain in popularity. In this study, the potential of DART hyphenated with Orbitrap-MS for fast identification and quantification of 21 anabolic steroid esters has been evaluated. Direct analysis in high resolution scan mode allowed steroid esters screening by accurate mass measurement (Resolution=60 000 and mass error{\\textless}3ppm). Steroid esters identification was further supported by collision-induced dissociation (CID) experiments through the generation of two additional ions. Moreover, the use of labelled internal standards allowed quantitative data to be recovered based on isotopic dilution approach. Linearity (R2{\\textgreater}0.99), dynamic range (from 1 to 1000ngmL-1), bias ({\\textless}10\\%), sensitivity (1ngmL-1), repeatability and reproducibility (RSD{\\textless}20\\%) were evaluated as similar to those obtained with hyphenated chromatography-mass spectrometry techniques. This innovative high throughput approach was successfully applied for the characterization of oily commercial preparations, and thus fits the needs of the competent authorities in the fight against forbidden or counterfeited substances.},\n\tlanguage = {en},\n\tnumber = {7},\n\turldate = {2016-01-28},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Doué, Mickael and Dervilly-Pinel, Gaud and Pouponneau, Karinne and Monteau, Fabrice and Le Bizec, Bruno},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {603--608},\n}\n\n\n\n
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\n High throughput screening is essential for doping, forensic, and food safety laboratories. While hyphenated chromatography-mass spectrometry (MS) remains the approach of choice, recent ambient MS techniques, such as direct analysis in real time (DART), offer more rapid and more versatile strategies and thus gain in popularity. In this study, the potential of DART hyphenated with Orbitrap-MS for fast identification and quantification of 21 anabolic steroid esters has been evaluated. Direct analysis in high resolution scan mode allowed steroid esters screening by accurate mass measurement (Resolution=60 000 and mass error\\textless3ppm). Steroid esters identification was further supported by collision-induced dissociation (CID) experiments through the generation of two additional ions. Moreover, the use of labelled internal standards allowed quantitative data to be recovered based on isotopic dilution approach. Linearity (R2\\textgreater0.99), dynamic range (from 1 to 1000ngmL-1), bias (\\textless10%), sensitivity (1ngmL-1), repeatability and reproducibility (RSD\\textless20%) were evaluated as similar to those obtained with hyphenated chromatography-mass spectrometry techniques. This innovative high throughput approach was successfully applied for the characterization of oily commercial preparations, and thus fits the needs of the competent authorities in the fight against forbidden or counterfeited substances.\n
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\n \n\n \n \n \n \n \n \n Validation of Direct Analysis Real Time source/Time-of-Flight Mass Spectrometry for organophosphate quantitation on wafer surface.\n \n \n \n \n\n\n \n Hayeck, N.; Ravier, S.; Gemayel, R.; Gligorovski, S.; Poulet, I.; Maalouly, J.; and Wortham, H.\n\n\n \n\n\n\n Talanta, 144: 1163–1170. November 2015.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{hayeck_validation_2015,\n\ttitle = {Validation of {Direct} {Analysis} {Real} {Time} source/{Time}-of-{Flight} {Mass} {Spectrometry} for organophosphate quantitation on wafer surface},\n\tvolume = {144},\n\tissn = {00399140},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0039914015302071},\n\tdoi = {10.1016/j.talanta.2015.07.080},\n\tabstract = {Microelectronic wafers are exposed to airborne molecular contamination (AMC) during the fabrication process of microelectronic components. The organophosphate compounds belonging to the dopant group are one of the most harmful groups. Once adsorbed on the wafer surface these compounds hardly desorb and could diffuse in the bulk of the wafer and invert the wafer from p-type to n-type. The presence of these compounds on wafer surface could have electrical effect on the microelectronic components. For these reasons, it is of importance to control the amount of these compounds on the surface of the wafer. As a result, a fast quantitative and qualitative analytical method, nondestructive for the wafers, is needed to be able to adjust the process and avoid the loss of an important quantity of processed wafers due to the contamination by organophosphate compounds. Here we developed and validated an analytical method for the determination of organic compounds adsorbed on the surface of microelectronic wafers using the Direct Analysis in Real Time-Time of Flight-Mass Spectrometry (DART-ToF-MS) system. Specifically, the developed methodology concerns the organophosphate group.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Talanta},\n\tauthor = {Hayeck, Nathalie and Ravier, Sylvain and Gemayel, Rachel and Gligorovski, Sasho and Poulet, Irène and Maalouly, Jacqueline and Wortham, Henri},\n\tmonth = nov,\n\tyear = {2015},\n\tpages = {1163--1170},\n}\n\n\n\n
\n
\n\n\n
\n Microelectronic wafers are exposed to airborne molecular contamination (AMC) during the fabrication process of microelectronic components. The organophosphate compounds belonging to the dopant group are one of the most harmful groups. Once adsorbed on the wafer surface these compounds hardly desorb and could diffuse in the bulk of the wafer and invert the wafer from p-type to n-type. The presence of these compounds on wafer surface could have electrical effect on the microelectronic components. For these reasons, it is of importance to control the amount of these compounds on the surface of the wafer. As a result, a fast quantitative and qualitative analytical method, nondestructive for the wafers, is needed to be able to adjust the process and avoid the loss of an important quantity of processed wafers due to the contamination by organophosphate compounds. Here we developed and validated an analytical method for the determination of organic compounds adsorbed on the surface of microelectronic wafers using the Direct Analysis in Real Time-Time of Flight-Mass Spectrometry (DART-ToF-MS) system. Specifically, the developed methodology concerns the organophosphate group.\n
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\n \n\n \n \n \n \n \n \n DART Fourier transform ion cyclotron resonance mass spectrometry for analysis of complex organic mixtures.\n \n \n \n \n\n\n \n Lobodin, V. V.; Nyadong, L.; Ruddy, B. M.; Curtis, M.; Jones, P. R.; Rodgers, R. P.; and Marshall, A. G.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 378: 186–192. February 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lobodin_dart_2015,\n\ttitle = {{DART} {Fourier} transform ion cyclotron resonance mass spectrometry for analysis of complex organic mixtures},\n\tvolume = {378},\n\tissn = {13873806},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1387380614003212},\n\tdoi = {10.1016/j.ijms.2014.07.050},\n\tabstract = {We report the first combination of a commercial direct analysis in real time (DART) source with FT-ICR MS and its application to analysis of complex organic mixtures. DART enables ionization of compounds with little or no sample preparation, and FT-ICR provides ultrahigh mass resolution and mass accuracy. The combination provides a rapid, robust, and reliable method for analysis of components spanning a wide range of chemical functionality. DART 9.4 T FT-ICR MS generates abundant molecular or quasimolecular ions from C60, heavy petroleum, naphthenate deposits, and biotar, without fragmentation. Moreover, we demonstrate desorption/ionization of compounds with boiling points significantly higher than the DART source temperature. DART FT-ICR MS thus offers a new and useful atmospheric pressure ionization mass spectrometry technique for analysis of complex organic mixtures.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Lobodin, Vladislav V. and Nyadong, Leonard and Ruddy, Brian M. and Curtis, Matthew and Jones, Patrick R. and Rodgers, Ryan P. and Marshall, Alan G.},\n\tmonth = feb,\n\tyear = {2015},\n\tpages = {186--192},\n}\n\n\n\n
\n
\n\n\n
\n We report the first combination of a commercial direct analysis in real time (DART) source with FT-ICR MS and its application to analysis of complex organic mixtures. DART enables ionization of compounds with little or no sample preparation, and FT-ICR provides ultrahigh mass resolution and mass accuracy. The combination provides a rapid, robust, and reliable method for analysis of components spanning a wide range of chemical functionality. DART 9.4 T FT-ICR MS generates abundant molecular or quasimolecular ions from C60, heavy petroleum, naphthenate deposits, and biotar, without fragmentation. Moreover, we demonstrate desorption/ionization of compounds with boiling points significantly higher than the DART source temperature. DART FT-ICR MS thus offers a new and useful atmospheric pressure ionization mass spectrometry technique for analysis of complex organic mixtures.\n
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\n \n\n \n \n \n \n \n \n Rapid determination of 1-deoxynojirimycin in Morus alba L. leaves by direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Xu, B.; Zhang, D.; Liu, Z.; Zhang, Y.; Liu, L.; Li, L.; Liu, C. C.; and Wu, G.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 114: 447–454. October 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{xu_rapid_2015,\n\ttitle = {Rapid determination of 1-deoxynojirimycin in {Morus} alba {L}. leaves by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {114},\n\tissn = {07317085},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0731708515300273},\n\tdoi = {10.1016/j.jpba.2015.06.010},\n\tabstract = {A new method based on a Direct Analysis in Real Time (DART) ionization source coupled with triple quadrupole tandem mass spectrometry has been developed for rapid qualitative and quantitative analyses of 1-deoxynojirimycin (DNJ) in mulberry leaves. Two ions produced from DNJ, [M+H]+ (m/z 164) and [M-2H+H]+ (m/z 162), are observed using DART-MS in the positive ion mode. The peak areas of the two selected ions monitoring (SIM) signals of ([M+H]+ (m/z 164) and [M-2H+H]+ (m/z 162)) are integrated to determine the peak area for quantitative analyses. A reasonable linear regression equation is obtained in the range of 1.01 to 40.50μg/mL, with a linear coefficient (R2) of 0.996. The limits of detection (LOD) and quantification (LOQ) of the method are 0.25 and 0.80μg/mL, respectively. The range of recovery is shown to be 87.73-95.61\\%. The results derived from the developed DART-MS method are in good agreement with those from the conventional HPLC-FLD method. By contrast, DART-MS in SIM mode is a simple, rapid and high-throughput approach for the determination of the DNJ content in mulberry leaves. The present method is advantageous for the rapid screening of mulberry leaves containing high DNJ contents.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Xu, Bin and Zhang, Dong-Yang and Liu, Ze-Yu and Zhang, Ying and Liu, Li and Li, Long and Liu, Charles C. and Wu, Guo-Hua},\n\tmonth = oct,\n\tyear = {2015},\n\tpages = {447--454},\n}\n\n\n\n
\n
\n\n\n
\n A new method based on a Direct Analysis in Real Time (DART) ionization source coupled with triple quadrupole tandem mass spectrometry has been developed for rapid qualitative and quantitative analyses of 1-deoxynojirimycin (DNJ) in mulberry leaves. Two ions produced from DNJ, [M+H]+ (m/z 164) and [M-2H+H]+ (m/z 162), are observed using DART-MS in the positive ion mode. The peak areas of the two selected ions monitoring (SIM) signals of ([M+H]+ (m/z 164) and [M-2H+H]+ (m/z 162)) are integrated to determine the peak area for quantitative analyses. A reasonable linear regression equation is obtained in the range of 1.01 to 40.50μg/mL, with a linear coefficient (R2) of 0.996. The limits of detection (LOD) and quantification (LOQ) of the method are 0.25 and 0.80μg/mL, respectively. The range of recovery is shown to be 87.73-95.61%. The results derived from the developed DART-MS method are in good agreement with those from the conventional HPLC-FLD method. By contrast, DART-MS in SIM mode is a simple, rapid and high-throughput approach for the determination of the DNJ content in mulberry leaves. The present method is advantageous for the rapid screening of mulberry leaves containing high DNJ contents.\n
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\n \n\n \n \n \n \n \n \n Authentication of true cinnamon (Cinnamon verum) utilising direct analysis in real time (DART)-QToF-MS.\n \n \n \n \n\n\n \n Avula, B.; Smillie, T. J.; Wang, Y.; Zweigenbaum, J.; and Khan, I. A.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 32(1): 1–8. January 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AuthenticationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{avula_authentication_2015,\n\ttitle = {Authentication of true cinnamon ({Cinnamon} verum) utilising direct analysis in real time ({DART})-{QToF}-{MS}},\n\tvolume = {32},\n\tissn = {1944-0049, 1944-0057},\n\turl = {http://www.tandfonline.com/doi/full/10.1080/19440049.2014.981763},\n\tdoi = {10.1080/19440049.2014.981763},\n\tabstract = {The use of cinnamon as a spice and flavouring agent is widespread throughout the world. Many different species of plants are commonly referred to as ‘cinnamon’. ‘True cinnamon’ refers to the dried inner bark of Cinnamomum verum J. S. Presl (syn. C. zeylanicum) (Lauraceae). Other ‘cinnamon’ species, C. cassia (Nees \\& T. Nees) J. Presl (syn. C. aromaticum Nees) (Chinese cassia), C. loureiroi Nees (Saigon cassia), and C. burmannii (Nees \\& T. Nees) Blume (Indonesian cassia), commonly known as cassia, are also marketed as cinnamon. Since there is a prevalence of these various types of ‘cinnamons’ on the market, there is a need to develop a rapid technique that can readily differentiate between true cinnamon (C. verum) and other commonly marketed species. In the present study, coumarin and other marker compounds indicative of ‘cinnamon’ were analysed using DART-QToF-MS in various samples of cinnamon. This method involved the use of [M + H]+ ions in positive mode in addition to principal component analysis (PCA) using Mass Profiler Professional software to visualise several samples for quality and to discriminate ‘true cinnamon’ from other Cinnamomum species using the accurate mass capabilities of QToF-MS.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Avula, Bharathi and Smillie, Troy J. and Wang, Yan-Hong and Zweigenbaum, Jerry and Khan, Ikhlas A.},\n\tmonth = jan,\n\tyear = {2015},\n\tpages = {1--8},\n}\n\n\n\n
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\n The use of cinnamon as a spice and flavouring agent is widespread throughout the world. Many different species of plants are commonly referred to as ‘cinnamon’. ‘True cinnamon’ refers to the dried inner bark of Cinnamomum verum J. S. Presl (syn. C. zeylanicum) (Lauraceae). Other ‘cinnamon’ species, C. cassia (Nees & T. Nees) J. Presl (syn. C. aromaticum Nees) (Chinese cassia), C. loureiroi Nees (Saigon cassia), and C. burmannii (Nees & T. Nees) Blume (Indonesian cassia), commonly known as cassia, are also marketed as cinnamon. Since there is a prevalence of these various types of ‘cinnamons’ on the market, there is a need to develop a rapid technique that can readily differentiate between true cinnamon (C. verum) and other commonly marketed species. In the present study, coumarin and other marker compounds indicative of ‘cinnamon’ were analysed using DART-QToF-MS in various samples of cinnamon. This method involved the use of [M + H]+ ions in positive mode in addition to principal component analysis (PCA) using Mass Profiler Professional software to visualise several samples for quality and to discriminate ‘true cinnamon’ from other Cinnamomum species using the accurate mass capabilities of QToF-MS.\n
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\n \n\n \n \n \n \n \n \n DART–TOF–MS based metabolomics study for the discrimination analysis of geographical origin of Angelica gigas roots collected from Korea and China.\n \n \n \n \n\n\n \n Kim, H. J.; Seo, Y. T.; Park, S.; Jeong, S. H.; Kim, M. K.; and Jang, Y. P.\n\n\n \n\n\n\n Metabolomics, 11(1): 64–70. February 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DART–TOF–MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{kim_darttofms_2015,\n\ttitle = {{DART}–{TOF}–{MS} based metabolomics study for the discrimination analysis of geographical origin of {Angelica} gigas roots collected from {Korea} and {China}},\n\tvolume = {11},\n\tissn = {1573-3882, 1573-3890},\n\turl = {http://link.springer.com/10.1007/s11306-014-0671-9},\n\tdoi = {10.1007/s11306-014-0671-9},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Metabolomics},\n\tauthor = {Kim, Hye Jin and Seo, Yong Taek and Park, Sang-il and Jeong, Se Hee and Kim, Min Kyoung and Jang, Young Pyo},\n\tmonth = feb,\n\tyear = {2015},\n\tpages = {64--70},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n \n Determination of the aflatoxin M1 (AFM1) from milk by direct analysis in real time – mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Busman, M.; Bobell, J. R.; and Maragos, C. M.\n\n\n \n\n\n\n Food Control, 47: 592–598. January 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{busman_determination_2015,\n\ttitle = {Determination of the aflatoxin {M1} ({AFM1}) from milk by direct analysis in real time – mass spectrometry ({DART}-{MS})},\n\tvolume = {47},\n\tissn = {09567135},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0956713514004514},\n\tdoi = {10.1016/j.foodcont.2014.08.003},\n\tabstract = {Certain fungi that grow on crops can produce aflatoxins, which are highly carcinogenic. One of these, aflatoxin B1 can be metabolized by mammals to aflatoxin M1, a form that retains potent carcinogenicity and which can be excreted into milk. Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for the rapid quantitative analysis of a common form of aflatoxin, AFM1, extracted from cow milk. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of AFM1. The lowest calibration level (LCL) for aflatoxin AFM1 was 0.1μg/kg. Quantitative analysis was performed with the use of matrix-matched standards employing a 13C-labeled internal standard for AFM1. DART-MS of spiked milk extracts gave linear response over the range of 0.1-2.5μg/kg. Good recoveries (94.7-109.2\\%) and repeatabilities (RSD 13.5-9.6\\%) were obtained at spiking levels of 0.5 and 2.0μg/kg. The results of the study further demonstrate the potential of ambient ionization-MS techniques for the sensitive, convenient and rapid quantitative determination of mycotoxins from difficult matrices.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Food Control},\n\tauthor = {Busman, Mark and Bobell, John R. and Maragos, Chris M.},\n\tmonth = jan,\n\tyear = {2015},\n\tpages = {592--598},\n}\n\n\n\n
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\n Certain fungi that grow on crops can produce aflatoxins, which are highly carcinogenic. One of these, aflatoxin B1 can be metabolized by mammals to aflatoxin M1, a form that retains potent carcinogenicity and which can be excreted into milk. Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for the rapid quantitative analysis of a common form of aflatoxin, AFM1, extracted from cow milk. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of AFM1. The lowest calibration level (LCL) for aflatoxin AFM1 was 0.1μg/kg. Quantitative analysis was performed with the use of matrix-matched standards employing a 13C-labeled internal standard for AFM1. DART-MS of spiked milk extracts gave linear response over the range of 0.1-2.5μg/kg. Good recoveries (94.7-109.2%) and repeatabilities (RSD 13.5-9.6%) were obtained at spiking levels of 0.5 and 2.0μg/kg. The results of the study further demonstrate the potential of ambient ionization-MS techniques for the sensitive, convenient and rapid quantitative determination of mycotoxins from difficult matrices.\n
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\n \n\n \n \n \n \n \n \n FORENSIC ANALYSIS OF CITES-PROTECTED DALBERGIA TIMBER FROM THE AMERICAS.\n \n \n \n \n\n\n \n Wiemann, M. C.; Chavarria, G. D.; Barajas-Morales, J.; Espinoza, E. O.; and McClure, P. J.\n\n\n \n\n\n\n IAWA Journal, 36(3): 311–325. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"FORENSICPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wiemann_forensic_2015,\n\ttitle = {{FORENSIC} {ANALYSIS} {OF} {CITES}-{PROTECTED} {DALBERGIA} {TIMBER} {FROM} {THE} {AMERICAS}},\n\tvolume = {36},\n\tissn = {0928-1541, 2294-1932},\n\turl = {http://booksandjournals.brillonline.com/content/journals/10.1163/22941932-20150102},\n\tdoi = {10.1163/22941932-20150102},\n\tabstract = {Species identification of logs, planks, and veneers is difficult because they lack the traditional descriptors such as leaves and flowers. An additional challenge is that many transnational shipments have unreliable geographic provenance. Therefore, frequently the lowest taxonomic determination is genus, which allows unscrupulous importers to evade the endangered species laws. In this study we explore whether analysis of wood using a Direct Analysis in Real Time (DART) Time-Of-Flight Mass Spectrometer (TOFMS) can assist in making unequivocal species determinations of Dalbergia. DART TOFMS spectra were collected from the heartwood of eight species of Dalbergia and six other look-alike species. In all, fourteen species comprising of 318 specimens were analyzed and the species chemical profiles were examined by statistical analysis. Dalbergia nigra (CITES Appendix I) was differentiated from D. spruceana; D. stevensonii (Appendix II) was distinguished from D. tucurensis (Appendix III), and all the look-alike timbers could be readily distinguished. Surprisingly, D. retusa (Appendix III) could not be differentiated from D. granadillo, and we postulate that they are synonymous. We conclude that DART TOFMS spectra are useful in making species identifications of American Dalbergia species, and could be a valuable tool for the traditional wood anatomist.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-28},\n\tjournal = {IAWA Journal},\n\tauthor = {Wiemann, Michael C. and Chavarria, Gabriela D. and Barajas-Morales, Josefina and Espinoza, Edgard O. and McClure, Pamela J.},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {311--325},\n}\n\n\n\n
\n
\n\n\n
\n Species identification of logs, planks, and veneers is difficult because they lack the traditional descriptors such as leaves and flowers. An additional challenge is that many transnational shipments have unreliable geographic provenance. Therefore, frequently the lowest taxonomic determination is genus, which allows unscrupulous importers to evade the endangered species laws. In this study we explore whether analysis of wood using a Direct Analysis in Real Time (DART) Time-Of-Flight Mass Spectrometer (TOFMS) can assist in making unequivocal species determinations of Dalbergia. DART TOFMS spectra were collected from the heartwood of eight species of Dalbergia and six other look-alike species. In all, fourteen species comprising of 318 specimens were analyzed and the species chemical profiles were examined by statistical analysis. Dalbergia nigra (CITES Appendix I) was differentiated from D. spruceana; D. stevensonii (Appendix II) was distinguished from D. tucurensis (Appendix III), and all the look-alike timbers could be readily distinguished. Surprisingly, D. retusa (Appendix III) could not be differentiated from D. granadillo, and we postulate that they are synonymous. We conclude that DART TOFMS spectra are useful in making species identifications of American Dalbergia species, and could be a valuable tool for the traditional wood anatomist.\n
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\n \n\n \n \n \n \n \n \n Prediction of acrylamide formation in biscuits based on fingerprint data generated by ambient ionization mass spectrometry employing direct analysis in real time (DART) ion source.\n \n \n \n \n\n\n \n Vaclavik, L.; Capuano, E.; Gökmen, V.; and Hajslova, J.\n\n\n \n\n\n\n Food Chemistry, 173: 290–297. April 2015.\n \n\n\n\n
\n\n\n\n \n \n \"PredictionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{vaclavik_prediction_2015,\n\ttitle = {Prediction of acrylamide formation in biscuits based on fingerprint data generated by ambient ionization mass spectrometry employing direct analysis in real time ({DART}) ion source},\n\tvolume = {173},\n\tissn = {03088146},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0308814614015398},\n\tdoi = {10.1016/j.foodchem.2014.09.151},\n\tabstract = {The objective of this study is the evaluation of the potential of high-throughput direct analysis in real time-high resolution mass spectrometry (DART-HRMS) fingerprinting and multivariate regression analysis in prediction of the extent of acrylamide formation in biscuit samples prepared by various recipes and baking conditions. Information-rich mass spectral fingerprints were obtained by analysis of biscuit extracts for preparation of which aqueous methanol was used. The principal component analysis (PCA) of the acquired data revealed an apparent clustering of samples according to the extent of heat-treatment applied during the baking of the biscuits. The regression model for prediction of acrylamide in biscuits was obtained by partial least square regression (PLSR) analysis of the data matrix representing combined positive and negative ionization mode fingerprints. The model provided a least root mean square error of cross validation (RMSECV) equal to an acrylamide concentration of 5.4 μg kg-1 and standard error of prediction (SEP) of 14.8 μg kg-1. The results obtained indicate that this strategy can be used to accurately predict the amounts of acrylamide formed during baking of biscuits. Such rapid estimation of acrylamide concentration can become a useful tool in evaluation of the effectivity of processes aiming at mitigation of this food processing contaminant. However, the robustness this approach with respect to variability in the chemical composition of ingredients used for preparation of biscuits should be tested further.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Food Chemistry},\n\tauthor = {Vaclavik, Lukas and Capuano, Edoardo and Gökmen, Vural and Hajslova, Jana},\n\tmonth = apr,\n\tyear = {2015},\n\tpages = {290--297},\n}\n\n\n\n
\n
\n\n\n
\n The objective of this study is the evaluation of the potential of high-throughput direct analysis in real time-high resolution mass spectrometry (DART-HRMS) fingerprinting and multivariate regression analysis in prediction of the extent of acrylamide formation in biscuit samples prepared by various recipes and baking conditions. Information-rich mass spectral fingerprints were obtained by analysis of biscuit extracts for preparation of which aqueous methanol was used. The principal component analysis (PCA) of the acquired data revealed an apparent clustering of samples according to the extent of heat-treatment applied during the baking of the biscuits. The regression model for prediction of acrylamide in biscuits was obtained by partial least square regression (PLSR) analysis of the data matrix representing combined positive and negative ionization mode fingerprints. The model provided a least root mean square error of cross validation (RMSECV) equal to an acrylamide concentration of 5.4 μg kg-1 and standard error of prediction (SEP) of 14.8 μg kg-1. The results obtained indicate that this strategy can be used to accurately predict the amounts of acrylamide formed during baking of biscuits. Such rapid estimation of acrylamide concentration can become a useful tool in evaluation of the effectivity of processes aiming at mitigation of this food processing contaminant. However, the robustness this approach with respect to variability in the chemical composition of ingredients used for preparation of biscuits should be tested further.\n
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\n \n\n \n \n \n \n \n \n Tracking and identification of antibacterial components in the essential oil of Tanacetum vulgare L. by the combination of high-performance thin-layer chromatography with direct bioautography and mass spectrometry.\n \n \n \n \n\n\n \n Móricz, Á. M.; Häbe, T. T.; Böszörményi, A.; Ott, P. G.; and Morlock, G. E.\n\n\n \n\n\n\n Journal of Chromatography A, 1422: 310–317. November 2015.\n \n\n\n\n
\n\n\n\n \n \n \"TrackingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{moricz_tracking_2015,\n\ttitle = {Tracking and identification of antibacterial components in the essential oil of {Tanacetum} vulgare {L}. by the combination of high-performance thin-layer chromatography with direct bioautography and mass spectrometry},\n\tvolume = {1422},\n\tissn = {00219673},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0021967315014545},\n\tdoi = {10.1016/j.chroma.2015.10.010},\n\tabstract = {Two tansy (Tanacetum vulgare L.) essential oils were obtained by steam distillation of the capitula with subsequent liquid-liquid extraction (oil 1) or with use of an auxiliary phase for the trapping of the steam components (oil 2). These oils were investigated against Bacillus subtilis F1276, B. subtilis spizizenii (DSM 618), Xanthomonas euvesicatoria, Pseudomonas syringae pv. maculicola, Ralstonia solanacearum strain GMI1000 and Aliivibrio fischeri, using the coupling of high-performance thin-layer chromatography to direct bioautography (HPTLC-DB). Using this method with the potato and tomato pathogen R. solanacearum is shown for the first time. Due to the advanced extraction process, oil 2 was richer in components and provided more inhibition zones. The main bioactive components were identified by scanning HPTLC-Direct Analysis in Real Time mass spectrometry (HPTLC-DART-MS) and solid-phase microextraction gas chromatography electron impact MS (SPME-GC-EI-MS) as cis- and trans-chrysanthenol as well as trans-chrysanthenyl acetate. cis-Chrysanthenol exhibited antibacterial effects against all tested bacteria, whereas trans-chrysanthenol inhibited B. subtilis, R. solanacearum and A. fischeri. trans-Chrysanthenyl acetate was an inhibitor for X. euvesicatoria, R. solanacearum and A. fischeri. Although HPTLC-DART-MS resulted in a comparable fragmentation, the ionization characteristics and the recorded mass spectra clearly showed that DART is a softer ionization technique than EI. It is also more affected by ambient conditions and thus prone to additional oxidation products.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Móricz, Ágnes M. and Häbe, Tim T. and Böszörményi, Andrea and Ott, Péter G. and Morlock, Gertrud E.},\n\tmonth = nov,\n\tyear = {2015},\n\tpages = {310--317},\n}\n\n\n\n
\n
\n\n\n
\n Two tansy (Tanacetum vulgare L.) essential oils were obtained by steam distillation of the capitula with subsequent liquid-liquid extraction (oil 1) or with use of an auxiliary phase for the trapping of the steam components (oil 2). These oils were investigated against Bacillus subtilis F1276, B. subtilis spizizenii (DSM 618), Xanthomonas euvesicatoria, Pseudomonas syringae pv. maculicola, Ralstonia solanacearum strain GMI1000 and Aliivibrio fischeri, using the coupling of high-performance thin-layer chromatography to direct bioautography (HPTLC-DB). Using this method with the potato and tomato pathogen R. solanacearum is shown for the first time. Due to the advanced extraction process, oil 2 was richer in components and provided more inhibition zones. The main bioactive components were identified by scanning HPTLC-Direct Analysis in Real Time mass spectrometry (HPTLC-DART-MS) and solid-phase microextraction gas chromatography electron impact MS (SPME-GC-EI-MS) as cis- and trans-chrysanthenol as well as trans-chrysanthenyl acetate. cis-Chrysanthenol exhibited antibacterial effects against all tested bacteria, whereas trans-chrysanthenol inhibited B. subtilis, R. solanacearum and A. fischeri. trans-Chrysanthenyl acetate was an inhibitor for X. euvesicatoria, R. solanacearum and A. fischeri. Although HPTLC-DART-MS resulted in a comparable fragmentation, the ionization characteristics and the recorded mass spectra clearly showed that DART is a softer ionization technique than EI. It is also more affected by ambient conditions and thus prone to additional oxidation products.\n
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\n \n\n \n \n \n \n \n \n Analysis of anabolic androgenic steroids by direct analysis in real time ionization with time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Prokudina, E.; Prchalová, J.; Vyšatová, E.; Kuchař, M.; Rajchl, A.; and Lapčík, O.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 392: 28–33. December 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{prokudina_analysis_2015,\n\ttitle = {Analysis of anabolic androgenic steroids by direct analysis in real time ionization with time-of-flight mass spectrometry},\n\tvolume = {392},\n\tissn = {13873806},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1387380615002730},\n\tdoi = {10.1016/j.ijms.2015.08.022},\n\tabstract = {We verified applicability of direct analysis in real time ionization coupled with a time-of-flight mass spectrometer (DART-MS) for detection of anabolic androgenic steroids in supplements and pharmaceuticals. DART-MS was optimized for the analysis of eleven frequently misused anabolic androgenic steroids and their derivatives. Real supplement tablets and injectable oil solutions were used to verify applicability of the method. It was found that anabolic androgenic steroids can be analyzed directly without any sample pre-treatment, which reduces the sample preparation time and hence the overall analysis time. The resulting DART-MS method is suitable for rapid routine qualitative screening of anabolic androgenic steroids in simple sample matrices. It has a great potential in the field of adulterated and counterfeited anabolic steroid pharmaceuticals and supplements.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Prokudina, E.A. and Prchalová, J. and Vyšatová, E. and Kuchař, M. and Rajchl, A. and Lapčík, O.},\n\tmonth = dec,\n\tyear = {2015},\n\tpages = {28--33},\n}\n\n\n\n
\n
\n\n\n
\n We verified applicability of direct analysis in real time ionization coupled with a time-of-flight mass spectrometer (DART-MS) for detection of anabolic androgenic steroids in supplements and pharmaceuticals. DART-MS was optimized for the analysis of eleven frequently misused anabolic androgenic steroids and their derivatives. Real supplement tablets and injectable oil solutions were used to verify applicability of the method. It was found that anabolic androgenic steroids can be analyzed directly without any sample pre-treatment, which reduces the sample preparation time and hence the overall analysis time. The resulting DART-MS method is suitable for rapid routine qualitative screening of anabolic androgenic steroids in simple sample matrices. It has a great potential in the field of adulterated and counterfeited anabolic steroid pharmaceuticals and supplements.\n
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\n \n\n \n \n \n \n \n \n An improved method for the determination of 5-hydroxymethylfurfural in Shenfu injection by direct analysis in real time-quadrupole time-of-flight mass spectrometry: Determination of 5-HMF in SF injection by DART-MS.\n \n \n \n \n\n\n \n Gao, W.; Qi, L.; Liu, C. C.; Wang, R.; Li, P.; and Yang, H.\n\n\n \n\n\n\n Drug Testing and Analysis,n/a–n/a. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{gao_improved_2015,\n\ttitle = {An improved method for the determination of 5-hydroxymethylfurfural in {Shenfu} injection by direct analysis in real time-quadrupole time-of-flight mass spectrometry: {Determination} of 5-{HMF} in {SF} injection by {DART}-{MS}},\n\tissn = {19427603},\n\tshorttitle = {An improved method for the determination of 5-hydroxymethylfurfural in {Shenfu} injection by direct analysis in real time-quadrupole time-of-flight mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/dta.1838},\n\tdoi = {10.1002/dta.1838},\n\tabstract = {The emergence of direct analysis in real time (DART) ion source provides the great possibility for rapid analysis of hazardous substance in drugs. DART mass spectrometry (DART-MS) enabled the conducting of a fast and non-contact analysis of various samples, including solid or liquid ones, without complex sample preparation or chromatographic separation. In this study, a modified DART-quadrupole time-of-flight mass spectrometry (DART-QTOF-MS) method was developed for identification and determination of 5-hydroxymethylfurfural (5-HMF) in Shenfu (SF) injection. The quantitative transfer of sample solution was introduced to the glass tips of DIP-it sampler at a fixed volume, which significantly increases the repeatability and accuracy of analytical results. The protonated ion of dibutyl phthalate in the atmosphere was used as the reference mass for TOF-MS recalibration during the data acquisition for constant high accuracy mass measurements. Finally, the developed DART-MS method was used to determine 5-HMF in seven batches of SF injection, and the contents of 5-HMF were not higher than 100 μg/mL. The results obtained were further confirmed by an ultra-high performance liquid chromatography combined with triple quadrupole mass spectrometer (UHPLC-QQQ-MS). The overall results demonstrated that the DART-QTOF-MS method could be applied as an alternative technique for rapid monitoring 5-HMF in herbal medicine injection.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Gao, Wen and Qi, Lian-Wen and Liu, Charles C. and Wang, Rui and Li, Ping and Yang, Hua},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {n/a--n/a},\n}\n\n\n\n
\n
\n\n\n
\n The emergence of direct analysis in real time (DART) ion source provides the great possibility for rapid analysis of hazardous substance in drugs. DART mass spectrometry (DART-MS) enabled the conducting of a fast and non-contact analysis of various samples, including solid or liquid ones, without complex sample preparation or chromatographic separation. In this study, a modified DART-quadrupole time-of-flight mass spectrometry (DART-QTOF-MS) method was developed for identification and determination of 5-hydroxymethylfurfural (5-HMF) in Shenfu (SF) injection. The quantitative transfer of sample solution was introduced to the glass tips of DIP-it sampler at a fixed volume, which significantly increases the repeatability and accuracy of analytical results. The protonated ion of dibutyl phthalate in the atmosphere was used as the reference mass for TOF-MS recalibration during the data acquisition for constant high accuracy mass measurements. Finally, the developed DART-MS method was used to determine 5-HMF in seven batches of SF injection, and the contents of 5-HMF were not higher than 100 μg/mL. The results obtained were further confirmed by an ultra-high performance liquid chromatography combined with triple quadrupole mass spectrometer (UHPLC-QQQ-MS). The overall results demonstrated that the DART-QTOF-MS method could be applied as an alternative technique for rapid monitoring 5-HMF in herbal medicine injection.\n
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\n \n\n \n \n \n \n \n \n Surface characterization and antifouling properties of nanostructured gold chips for imaging surface plasmon resonance biosensing.\n \n \n \n \n\n\n \n Joshi, S.; Pellacani, P.; van Beek, T. A.; Zuilhof, H.; and Nielen, M. W.\n\n\n \n\n\n\n Sensors and Actuators B: Chemical, 209: 505–514. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"SurfacePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{joshi_surface_2015,\n\ttitle = {Surface characterization and antifouling properties of nanostructured gold chips for imaging surface plasmon resonance biosensing},\n\tvolume = {209},\n\tissn = {09254005},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0925400514015287},\n\tdoi = {10.1016/j.snb.2014.11.133},\n\tabstract = {Surface Plasmon Resonance (SPR) optical sensing is a label-free technique for real-time monitoring of biomolecular interactions. Recently, a portable imaging SPR (iSPR) prototype instrument, featuring a nanostructured gold chip, has been developed. In the present work, we investigated the crucial first steps, prior to eventual use of the nanostructured iSPR chip, i.e., its surface modification, in-depth surface characterization and the antifouling performance. Results were compared with conventional flat (i)SPR gold chips having the same surface chemistries, viz. different types of polyethylene glycol and zwitterionic polymers. Characterization of the (i)SPR chips before and after surface modification was performed using atomic force microscopy (AFM), scanning electron microscopy (SEM), water contact angle (WCA), X-ray photoelectron spectroscopy (XPS) and direct analysis in real time high resolution mass spectrometry (DART-HRMS). The antifouling properties were then studied using the nanostructured chip in the portable iSPR instrument and the flat gold chip in conventional SPR setup. The zwitterionic polymer surface chemistries showed the best antifouling properties. Comparison of the nanostructured iSPR chips with conventional flat (i)SPR gold chips showed that the latter perform slightly better in terms of surface modification as well as antifouling properties. The portable iSPR instrument is almost as sensitive as conventional iSPR (IBIS) and nine times less sensitive than conventional SPR (Biacore 3000). The nanostructured iSPR chip, along with the portable instrument, offers the advantage of about ten-fold reduction in instrument size, weight and costs compared to conventional (i)SPR instruments using flat gold, thus making it highly interesting for future biosensing applications.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Sensors and Actuators B: Chemical},\n\tauthor = {Joshi, Sweccha and Pellacani, Paola and van Beek, Teris A. and Zuilhof, Han and Nielen, Michel W.F.},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {505--514},\n}\n\n\n\n
\n
\n\n\n
\n Surface Plasmon Resonance (SPR) optical sensing is a label-free technique for real-time monitoring of biomolecular interactions. Recently, a portable imaging SPR (iSPR) prototype instrument, featuring a nanostructured gold chip, has been developed. In the present work, we investigated the crucial first steps, prior to eventual use of the nanostructured iSPR chip, i.e., its surface modification, in-depth surface characterization and the antifouling performance. Results were compared with conventional flat (i)SPR gold chips having the same surface chemistries, viz. different types of polyethylene glycol and zwitterionic polymers. Characterization of the (i)SPR chips before and after surface modification was performed using atomic force microscopy (AFM), scanning electron microscopy (SEM), water contact angle (WCA), X-ray photoelectron spectroscopy (XPS) and direct analysis in real time high resolution mass spectrometry (DART-HRMS). The antifouling properties were then studied using the nanostructured chip in the portable iSPR instrument and the flat gold chip in conventional SPR setup. The zwitterionic polymer surface chemistries showed the best antifouling properties. Comparison of the nanostructured iSPR chips with conventional flat (i)SPR gold chips showed that the latter perform slightly better in terms of surface modification as well as antifouling properties. The portable iSPR instrument is almost as sensitive as conventional iSPR (IBIS) and nine times less sensitive than conventional SPR (Biacore 3000). The nanostructured iSPR chip, along with the portable instrument, offers the advantage of about ten-fold reduction in instrument size, weight and costs compared to conventional (i)SPR instruments using flat gold, thus making it highly interesting for future biosensing applications.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry (DART-MS) of highly non-polar low molecular weight polyisobutylenes: DART-MS of PIBs.\n \n \n \n \n\n\n \n Nagy, L.; Nagy, T.; Deák, G.; Kuki, Á.; Antal, B.; Zsuga, M.; and Kéki, S.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 50(9): 1071–1078. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{nagy_direct_2015,\n\ttitle = {Direct analysis in real time mass spectrometry ({DART}-{MS}) of highly non-polar low molecular weight polyisobutylenes: {DART}-{MS} of {PIBs}},\n\tvolume = {50},\n\tissn = {10765174},\n\tshorttitle = {Direct analysis in real time mass spectrometry ({DART}-{MS}) of highly non-polar low molecular weight polyisobutylenes},\n\turl = {http://doi.wiley.com/10.1002/jms.3621},\n\tdoi = {10.1002/jms.3621},\n\tabstract = {Low molecular weight polyisobutylenes (PIB) with chlorine, olefin and succinic acid end-groups were studied using direct analysis in real time mass spectrometry (DART-MS). To facilitate the adduct ion formation under DART conditions, NH4Cl as an auxiliary reagent was deposited onto the PIB surface. It was found that chlorinated adduct ions of olefin and chlorine telechelic PIBs, i.e. [M + Cl]- up to m/z 1100, and the deprotonated polyisobutylene succinic acid [M-H]- were formed as observed in the negative ion mode. In the positive ion mode formation of [M + NH4]+, adduct ions were detected. In the tandem mass (MS/MS) spectra of [M + Cl]-, product ions were absent, suggesting a simple dissociation of the precursor [M + Cl]- into a Cl- ion and a neutral M without fragmentation of the PIB backbones. However, structurally important product ions were produced from the corresponding [M + NH4]+ ions, allowing us to obtain valuable information on the arm-length distributions of the PIBs containing aromatic initiator moiety. In addition, a model was developed to interpret the oligomer distributions and the number average molecular weights observed in DART-MS for PIBs and other polymers of low molecular weight.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-29},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Nagy, Lajos and Nagy, Tibor and Deák, György and Kuki, Ákos and Antal, Borbála and Zsuga, Miklós and Kéki, Sándor},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {1071--1078},\n}\n\n\n\n
\n
\n\n\n
\n Low molecular weight polyisobutylenes (PIB) with chlorine, olefin and succinic acid end-groups were studied using direct analysis in real time mass spectrometry (DART-MS). To facilitate the adduct ion formation under DART conditions, NH4Cl as an auxiliary reagent was deposited onto the PIB surface. It was found that chlorinated adduct ions of olefin and chlorine telechelic PIBs, i.e. [M + Cl]- up to m/z 1100, and the deprotonated polyisobutylene succinic acid [M-H]- were formed as observed in the negative ion mode. In the positive ion mode formation of [M + NH4]+, adduct ions were detected. In the tandem mass (MS/MS) spectra of [M + Cl]-, product ions were absent, suggesting a simple dissociation of the precursor [M + Cl]- into a Cl- ion and a neutral M without fragmentation of the PIB backbones. However, structurally important product ions were produced from the corresponding [M + NH4]+ ions, allowing us to obtain valuable information on the arm-length distributions of the PIBs containing aromatic initiator moiety. In addition, a model was developed to interpret the oligomer distributions and the number average molecular weights observed in DART-MS for PIBs and other polymers of low molecular weight.\n
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\n \n\n \n \n \n \n \n \n A novel approach to determine the tyrosine concentration in human plasma by DART-MS/MS.\n \n \n \n \n\n\n \n Song, Y.; Liao, J.; Zha, C.; Wang, B.; and Liu, C. C.\n\n\n \n\n\n\n Anal. Methods, 7(4): 1600–1605. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{song_novel_2015,\n\ttitle = {A novel approach to determine the tyrosine concentration in human plasma by {DART}-{MS}/{MS}},\n\tvolume = {7},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C4AY02566K},\n\tdoi = {10.1039/C4AY02566K},\n\tabstract = {A novel method for determining the tyrosine (Tyr) concentration in human plasma using direct analysis in real time mass spectrometry (DART-MS/MS) was developed. DART-MS/MS was performed in the positive ionization mode with multiple reaction monitoring (MRM) while using the ion transitions at m/z of 182.2/136.2 (Tyr). The experimental conditions and the sample preparation method were optimized to maximize the signal intensity. The linear range was determined to be 2-50 μg mL-1 from the calibration curve. The limit of quantification (LOQ) was 2 μg mL-1. The intra- and inter-day precisions did not exceed 15\\%, and the accuracies were less than ±15\\% for the 4, 18 and 38 μg mL-1 quality control (QC) samples. In addition, the extents of the matrix effects for the QC samples were also evaluated. Using the proposed method, samples could be analyzed simultaneously. The proposed DART-MS/MS-based method is not only rapid and simple with a high throughput but is also economical, as a mobile phase is not used. Furthermore, the method was used successfully to determine the Tyr levels in the plasmas of healthy volunteers and liver cancer patients. The proposed method should also be theoretically suitable for screening newborn babies for the hereditary tyrosinemia.},\n\tlanguage = {en},\n\tnumber = {4},\n\turldate = {2016-01-28},\n\tjournal = {Anal. Methods},\n\tauthor = {Song, Yu-qiao and Liao, Jie and Zha, Cheng and Wang, Bin and Liu, Charles C.},\n\tyear = {2015},\n\tpages = {1600--1605},\n}\n\n\n\n
\n
\n\n\n
\n A novel method for determining the tyrosine (Tyr) concentration in human plasma using direct analysis in real time mass spectrometry (DART-MS/MS) was developed. DART-MS/MS was performed in the positive ionization mode with multiple reaction monitoring (MRM) while using the ion transitions at m/z of 182.2/136.2 (Tyr). The experimental conditions and the sample preparation method were optimized to maximize the signal intensity. The linear range was determined to be 2-50 μg mL-1 from the calibration curve. The limit of quantification (LOQ) was 2 μg mL-1. The intra- and inter-day precisions did not exceed 15%, and the accuracies were less than ±15% for the 4, 18 and 38 μg mL-1 quality control (QC) samples. In addition, the extents of the matrix effects for the QC samples were also evaluated. Using the proposed method, samples could be analyzed simultaneously. The proposed DART-MS/MS-based method is not only rapid and simple with a high throughput but is also economical, as a mobile phase is not used. Furthermore, the method was used successfully to determine the Tyr levels in the plasmas of healthy volunteers and liver cancer patients. The proposed method should also be theoretically suitable for screening newborn babies for the hereditary tyrosinemia.\n
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\n \n\n \n \n \n \n \n \n Spatial localisation of curcumin and rapid screening of the chemical compositions of turmeric rhizomes (Curcuma longa Linn.) using Direct Analysis in Real Time-Mass Spectrometry (DART-MS).\n \n \n \n \n\n\n \n Rahman, A. M.; Angawi, R. F.; and Kadi, A. A.\n\n\n \n\n\n\n Food Chemistry, 173: 489–494. April 2015.\n \n\n\n\n
\n\n\n\n \n \n \"SpatialPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{rahman_spatial_2015,\n\ttitle = {Spatial localisation of curcumin and rapid screening of the chemical compositions of turmeric rhizomes ({Curcuma} longa {Linn}.) using {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry} ({DART}-{MS})},\n\tvolume = {173},\n\tissn = {03088146},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0308814614016112},\n\tdoi = {10.1016/j.foodchem.2014.10.049},\n\tabstract = {Curcumin is a potent antioxidant agent having versatile biological activities is present in turmeric rhizomes (Curcuma longa Linn.). Powder of turmeric rhizomes is consumes as curry spicy worldwide, especially in Asia. In this study, we demonstrate that, bioactive curcumin and its analog demethoxycurcumin are chiefly concentrated in the pith rather than the other parts of the turmeric rhizomes and it was discovered using modern atmospheric ionisation source 'Direct Analysis in Real Time' (DART) connected with an Ion Trap Mass Spectrometry. In addition, all the major components present in turmeric rhizomes were detected in positive and/or in negative ion mode using DART.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Food Chemistry},\n\tauthor = {Rahman, A.F.M. Motiur and Angawi, Rihab F. and Kadi, Adnan A.},\n\tmonth = apr,\n\tyear = {2015},\n\tpages = {489--494},\n}\n\n\n\n
\n
\n\n\n
\n Curcumin is a potent antioxidant agent having versatile biological activities is present in turmeric rhizomes (Curcuma longa Linn.). Powder of turmeric rhizomes is consumes as curry spicy worldwide, especially in Asia. In this study, we demonstrate that, bioactive curcumin and its analog demethoxycurcumin are chiefly concentrated in the pith rather than the other parts of the turmeric rhizomes and it was discovered using modern atmospheric ionisation source 'Direct Analysis in Real Time' (DART) connected with an Ion Trap Mass Spectrometry. In addition, all the major components present in turmeric rhizomes were detected in positive and/or in negative ion mode using DART.\n
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\n \n\n \n \n \n \n \n \n Trace detection and competitive ionization of erythritol tetranitrate in mixtures using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Forbes, T. P.; and Sisco, E.\n\n\n \n\n\n\n Anal. Methods, 7(8): 3632–3636. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"TracePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{forbes_trace_2015,\n\ttitle = {Trace detection and competitive ionization of erythritol tetranitrate in mixtures using direct analysis in real time mass spectrometry},\n\tvolume = {7},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C4AY02694B},\n\tdoi = {10.1039/C4AY02694B},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry (MS) was used for trace detection of the nitrate ester explosive erythritol tetranitrate (ETN) and its sugar alcohol precursor erythritol. The present investigation revealed the impact of competitive ionization between ETN, erythritol, and nitric acid for the detection of sugar alcohol-based homemade explosives. DART-MS facilitated the direct investigation of matrix effects related to the desorption process and compound volatility, as well as the ionization process, neutralization, and affinity for nitrate adduct formation. ETN and erythritol were directly detected at nanogram to sub-nanogram levels by DART-MS.},\n\tlanguage = {en},\n\tnumber = {8},\n\turldate = {2016-01-29},\n\tjournal = {Anal. Methods},\n\tauthor = {Forbes, Thomas P. and Sisco, Edward},\n\tyear = {2015},\n\tpages = {3632--3636},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) mass spectrometry (MS) was used for trace detection of the nitrate ester explosive erythritol tetranitrate (ETN) and its sugar alcohol precursor erythritol. The present investigation revealed the impact of competitive ionization between ETN, erythritol, and nitric acid for the detection of sugar alcohol-based homemade explosives. DART-MS facilitated the direct investigation of matrix effects related to the desorption process and compound volatility, as well as the ionization process, neutralization, and affinity for nitrate adduct formation. ETN and erythritol were directly detected at nanogram to sub-nanogram levels by DART-MS.\n
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\n \n\n \n \n \n \n \n \n An approach of evaluating the effect of vinylene carbonate additive on graphite anode for lithium ion battery at elevated temperature.\n \n \n \n \n\n\n \n Liu, Y.; Takeda, S.; Kaneko, I.; Yoshitake, H.; Yanagida, M.; Saito, Y.; and Sakai, T.\n\n\n \n\n\n\n Electrochemistry Communications, 61: 70–73. December 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{liu_approach_2015,\n\ttitle = {An approach of evaluating the effect of vinylene carbonate additive on graphite anode for lithium ion battery at elevated temperature},\n\tvolume = {61},\n\tissn = {13882481},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1388248115002891},\n\tdoi = {10.1016/j.elecom.2015.10.008},\n\tabstract = {An approach is proposed to evaluate the VC effect in a LiFePO4/graphite cell at 60 °C through liquid chromatography mass spectrometry (LC-MS) together with direct analysis in real time mass spectrometry (DART-MS). The LC-MS result shows that VC can effectively suppress the formation of phosphate esters as well as carbonate oligomers during the electrochemical cycling. It is also known from DART-MS analysis that VC assists the formation of thermally resistant oligomeric phosphate ester layer on the graphite surface, storing more solvent EC inside the layer. On the other hand, no compounds are observed on the LiFePO4 cathode surface. The formation of the denser oligomeric phosphate ester layer is found to be the reason for the improved cycle stability of the cell cycled at elevated temperature.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Electrochemistry Communications},\n\tauthor = {Liu, Yi-Hung and Takeda, Sahori and Kaneko, Ikue and Yoshitake, Hideya and Yanagida, Masahiro and Saito, Yuria and Sakai, Tetsuo},\n\tmonth = dec,\n\tyear = {2015},\n\tpages = {70--73},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n An approach is proposed to evaluate the VC effect in a LiFePO4/graphite cell at 60 °C through liquid chromatography mass spectrometry (LC-MS) together with direct analysis in real time mass spectrometry (DART-MS). The LC-MS result shows that VC can effectively suppress the formation of phosphate esters as well as carbonate oligomers during the electrochemical cycling. It is also known from DART-MS analysis that VC assists the formation of thermally resistant oligomeric phosphate ester layer on the graphite surface, storing more solvent EC inside the layer. On the other hand, no compounds are observed on the LiFePO4 cathode surface. The formation of the denser oligomeric phosphate ester layer is found to be the reason for the improved cycle stability of the cell cycled at elevated temperature.\n
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\n \n\n \n \n \n \n \n \n Combination of Solid-Phase Micro-Extraction and Direct Analysis in Real Time-Fourier Transform Ion Cyclotron Resonance Mass Spectrometry for Sensitive and Rapid Analysis of 15 Phthalate Plasticizers in Beverages.\n \n \n \n \n\n\n \n Wu, M.; Wang, H.; Dong, G.; Musselman, B. D.; Liu, C. C.; and Guo, Y.\n\n\n \n\n\n\n Chinese Journal of Chemistry, 33(2): 213–219. February 2015.\n \n\n\n\n
\n\n\n\n \n \n \"CombinationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wu_combination_2015,\n\ttitle = {Combination of {Solid}-{Phase} {Micro}-{Extraction} and {Direct} {Analysis} in {Real} {Time}-{Fourier} {Transform} {Ion} {Cyclotron} {Resonance} {Mass} {Spectrometry} for {Sensitive} and {Rapid} {Analysis} of 15 {Phthalate} {Plasticizers} in {Beverages}},\n\tvolume = {33},\n\tissn = {1001604X},\n\turl = {http://doi.wiley.com/10.1002/cjoc.201400564},\n\tdoi = {10.1002/cjoc.201400564},\n\tabstract = {A method for rapid identification and quantification of phthalate plasticizers in beverages was developed. A number of 15 phthalate plasticizers which covered all the phthalates concerned in the US Consumer Product Safety Improvement Act (CPSIA), European Union legislations and Chinese national standards (GB) were analyzed. By a combined solid-phase micro-extraction (SPME) and direct analysis in real time mass spectrometry (DART-MS) approach, phthalates at sub-ng·mL?1 levels can be qualitatively and quantitatively analyzed in a short time. The use of ultrahigh-resolving power and the accurate mass measurement capacity naturally provided by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) minimizes the matrix interferences and thus enables the evaluation of phthalates in a complex matrix without extensive sample handlings or preparations. The limits of quantification (LOQs) were estimated to be at 0.3?5.0 ng·mL?1, lower than the Maximum Residue Limit (MRL) regulated by the European Union legislations (2007/19/EC) in foods, beverages, food packaging and toys (0.3?30 ng·mL?1). This rapid and easy-to-use SPME-DART-FT-ICR-MS method provided a relatively high-throughput and powerful analytical approach for quick testing and screening phthalates in beverages and water samples to ensure food safety.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-01-28},\n\tjournal = {Chinese Journal of Chemistry},\n\tauthor = {Wu, Mengxi and Wang, Haoyang and Dong, Guoqing and Musselman, Brian D. and Liu, Charles C. and Guo, Yinlong},\n\tmonth = feb,\n\tyear = {2015},\n\tpages = {213--219},\n}\n\n\n\n
\n
\n\n\n
\n A method for rapid identification and quantification of phthalate plasticizers in beverages was developed. A number of 15 phthalate plasticizers which covered all the phthalates concerned in the US Consumer Product Safety Improvement Act (CPSIA), European Union legislations and Chinese national standards (GB) were analyzed. By a combined solid-phase micro-extraction (SPME) and direct analysis in real time mass spectrometry (DART-MS) approach, phthalates at sub-ng·mL?1 levels can be qualitatively and quantitatively analyzed in a short time. The use of ultrahigh-resolving power and the accurate mass measurement capacity naturally provided by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) minimizes the matrix interferences and thus enables the evaluation of phthalates in a complex matrix without extensive sample handlings or preparations. The limits of quantification (LOQs) were estimated to be at 0.3?5.0 ng·mL?1, lower than the Maximum Residue Limit (MRL) regulated by the European Union legislations (2007/19/EC) in foods, beverages, food packaging and toys (0.3?30 ng·mL?1). This rapid and easy-to-use SPME-DART-FT-ICR-MS method provided a relatively high-throughput and powerful analytical approach for quick testing and screening phthalates in beverages and water samples to ensure food safety.\n
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\n \n\n \n \n \n \n \n \n Identification of bacteria by fatty acid profiling with direct analysis in real time mass spectrometry: Bacteria identification by DART fatty acid profiling.\n \n \n \n \n\n\n \n Cody, R. B.; McAlpin, C. R.; Cox, C. R.; Jensen, K. R.; and Voorhees, K. J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(21): 2007–2012. November 2015.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cody_identification_2015,\n\ttitle = {Identification of bacteria by fatty acid profiling with direct analysis in real time mass spectrometry: {Bacteria} identification by {DART} fatty acid profiling},\n\tvolume = {29},\n\tissn = {09514198},\n\tshorttitle = {Identification of bacteria by fatty acid profiling with direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7309},\n\tdoi = {10.1002/rcm.7309},\n\tabstract = {Rationale Bacterial fatty acid profiling is a well-established technique for bacterial identification. Current methods involving esterification and gas chromatography/mass spectrometry (GC/MS) or matrix-assisted laser desorption/ionization (MALDI) analysis are effective, but there are potential benefits to be gained by investigating ambient ionization methods that can provide rapid analysis without derivatization or additional sample handling. Methods Lipid extracts from colonies of five Gram-positive and five Gram-negative pathogenic bacteria were analyzed by Direct Analysis in Real Time (DART) ionization coupled with a time-of-flight mass spectrometer. Fatty acid profiles were obtained from the negative-ion DART mass spectra without additional derivatization or sample preparation. Results Fatty acid profiles obtained from the deprotonated molecules [M - H]- were found to be highly species-specific and reproducible. Leave-one-out cross validation (LOOCV) for principal component analysis (PCA) showed 100\\% correct classification accuracy. Conclusions The results of this preliminary feasibility study show good precision and accuracy, and the fatty acid patterns are clearly distinctive for each of the ten species examined. The speed and ease of analysis and the high classification accuracy for this initial study indicate that DART is an effective method for bacterial fatty acid profiling.},\n\tlanguage = {en},\n\tnumber = {21},\n\turldate = {2016-01-29},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Cody, Robert B. and McAlpin, Casey R. and Cox, Christopher R. and Jensen, Kirk R. and Voorhees, Kent J.},\n\tmonth = nov,\n\tyear = {2015},\n\tpages = {2007--2012},\n}\n\n\n\n
\n
\n\n\n
\n Rationale Bacterial fatty acid profiling is a well-established technique for bacterial identification. Current methods involving esterification and gas chromatography/mass spectrometry (GC/MS) or matrix-assisted laser desorption/ionization (MALDI) analysis are effective, but there are potential benefits to be gained by investigating ambient ionization methods that can provide rapid analysis without derivatization or additional sample handling. Methods Lipid extracts from colonies of five Gram-positive and five Gram-negative pathogenic bacteria were analyzed by Direct Analysis in Real Time (DART) ionization coupled with a time-of-flight mass spectrometer. Fatty acid profiles were obtained from the negative-ion DART mass spectra without additional derivatization or sample preparation. Results Fatty acid profiles obtained from the deprotonated molecules [M - H]- were found to be highly species-specific and reproducible. Leave-one-out cross validation (LOOCV) for principal component analysis (PCA) showed 100% correct classification accuracy. Conclusions The results of this preliminary feasibility study show good precision and accuracy, and the fatty acid patterns are clearly distinctive for each of the ten species examined. The speed and ease of analysis and the high classification accuracy for this initial study indicate that DART is an effective method for bacterial fatty acid profiling.\n
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\n \n\n \n \n \n \n \n \n Quantitative analysis of phosphoric acid esters in aqueous samples by isotope dilution stir-bar sorptive extraction combined with direct analysis in real time (DART)-Orbitrap mass spectrometry.\n \n \n \n \n\n\n \n Bridoux, M. C.; Malandain, H.; Leprince, F.; Progent, F.; and Machuron-Mandard, X.\n\n\n \n\n\n\n Analytica Chimica Acta, 869: 1–10. April 2015.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bridoux_quantitative_2015,\n\ttitle = {Quantitative analysis of phosphoric acid esters in aqueous samples by isotope dilution stir-bar sorptive extraction combined with direct analysis in real time ({DART})-{Orbitrap} mass spectrometry},\n\tvolume = {869},\n\tissn = {00032670},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0003267015000434},\n\tdoi = {10.1016/j.aca.2015.01.010},\n\tabstract = {A novel hyphenated technique, namely the combination of stir bar sorptive extraction (SBSE) with isotope dilution direct analysis in real time (DART) Orbitrap™ mass spectrometry (OT-MS) is presented for the extraction of phosphoric acid alkyl esters (tri- (TnBP), di- (HDBP), and mono-butyl phosphate (H2MBP)) from aqueous samples. First, SBSE of phosphate esters was performed using a Twister™ coated with 24μL of polydimethylsiloxane (PDMS) as the extracting phase. SBSE was optimized for extraction pH, phase ratio (PDMS volume/aqueous phase volume), stirring speed, extraction time and temperature. Then, coupling of SBSE to DART/Orbitrap-MS was achieved by placing the Twister™ in the middle of an open-ended glass tube between the DART and the Orbitrap™. The DART mass spectrometric response of phosphate esters was probed using commercially available and synthesized alkyl phosphate ester standards. The positive ion full scan spectra of alkyl phosphate triesters (TnBP) was characterized by the product of self-protonation [M+H]+ and, during collision-induced dissociation (CID), the major fragmentation ions corresponded to consecutive loss of alkyl chains. Negative ionization gave abundant [M-H]- ions for both HDnBP and H2MnBP. Twisters™ coated with PDMS successfully extracted phosphate acid esters (tri-, di- and mono-esters) granted that the analytes are present in the aqueous solution in the neutral form. SBSE/DART/Orbitrap-MS results show a good linearity between the concentrations and relative peak areas for the analytes in the concentration range studied (0.1-750ngmL-1). Reproducibility of this SBSE/DART/Orbitrap-MS method was evaluated in terms of \\%RSD by extracting a sample of water fortified with the analytes. The \\%RSDs for TnBP, HDnBP and H2MnBP were 4, 3 and 3\\% (n=5) using the respective perdeuterated internal standards. Matrix effects were investigated by matrix matched calibration standards using underground water samples (UWS) and river water samples (RWS). Matrix effects were effectively compensated by the addition of the perdeuterated internal standards. The application of this new SBSE/DART/Orbitrap-MS method should be very valuable for on-site sampling/monitoring, limiting the transport of large volumes of water samples from the sampling site to the laboratory.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Bridoux, Maxime C. and Malandain, Hélène and Leprince, Françoise and Progent, Frédéric and Machuron-Mandard, Xavier},\n\tmonth = apr,\n\tyear = {2015},\n\tpages = {1--10},\n}\n\n\n\n
\n
\n\n\n
\n A novel hyphenated technique, namely the combination of stir bar sorptive extraction (SBSE) with isotope dilution direct analysis in real time (DART) Orbitrap™ mass spectrometry (OT-MS) is presented for the extraction of phosphoric acid alkyl esters (tri- (TnBP), di- (HDBP), and mono-butyl phosphate (H2MBP)) from aqueous samples. First, SBSE of phosphate esters was performed using a Twister™ coated with 24μL of polydimethylsiloxane (PDMS) as the extracting phase. SBSE was optimized for extraction pH, phase ratio (PDMS volume/aqueous phase volume), stirring speed, extraction time and temperature. Then, coupling of SBSE to DART/Orbitrap-MS was achieved by placing the Twister™ in the middle of an open-ended glass tube between the DART and the Orbitrap™. The DART mass spectrometric response of phosphate esters was probed using commercially available and synthesized alkyl phosphate ester standards. The positive ion full scan spectra of alkyl phosphate triesters (TnBP) was characterized by the product of self-protonation [M+H]+ and, during collision-induced dissociation (CID), the major fragmentation ions corresponded to consecutive loss of alkyl chains. Negative ionization gave abundant [M-H]- ions for both HDnBP and H2MnBP. Twisters™ coated with PDMS successfully extracted phosphate acid esters (tri-, di- and mono-esters) granted that the analytes are present in the aqueous solution in the neutral form. SBSE/DART/Orbitrap-MS results show a good linearity between the concentrations and relative peak areas for the analytes in the concentration range studied (0.1-750ngmL-1). Reproducibility of this SBSE/DART/Orbitrap-MS method was evaluated in terms of %RSD by extracting a sample of water fortified with the analytes. The %RSDs for TnBP, HDnBP and H2MnBP were 4, 3 and 3% (n=5) using the respective perdeuterated internal standards. Matrix effects were investigated by matrix matched calibration standards using underground water samples (UWS) and river water samples (RWS). Matrix effects were effectively compensated by the addition of the perdeuterated internal standards. The application of this new SBSE/DART/Orbitrap-MS method should be very valuable for on-site sampling/monitoring, limiting the transport of large volumes of water samples from the sampling site to the laboratory.\n
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\n \n\n \n \n \n \n \n \n Application of Direct Analysis in Real Time-Mass Spectrometry (DART-MS) to the Study of Gas–Surface Heterogeneous Reactions: Focus on Ozone and PAHs.\n \n \n \n \n\n\n \n Zhou, S.; Forbes, M. W.; and Abbatt, J. P. D.\n\n\n \n\n\n\n Analytical Chemistry, 87(9): 4733–4740. May 2015.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhou_application_2015,\n\ttitle = {Application of {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry} ({DART}-{MS}) to the {Study} of {Gas}–{Surface} {Heterogeneous} {Reactions}: {Focus} on {Ozone} and {PAHs}},\n\tvolume = {87},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Application of {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry} ({DART}-{MS}) to the {Study} of {Gas}–{Surface} {Heterogeneous} {Reactions}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac504722z},\n\tdoi = {10.1021/ac504722z},\n\tabstract = {A novel analytical method is presented whereby Direct Analysis in Real Time-Mass Spectrometry (DART-MS) is applied to the study of gas-surface heterogeneous reactions. To illustrate the capabilities of the approach, the kinetics of a well-studied reaction of surface-bound polycyclic aromatic hydrocarbons with ozone are presented. Specifically, using helium as the reagent gas and with the DART heater temperature of 500 °C, nanogram quantities of benzo[e]pyrene (BeP) deposited on the outside of glass melting point capillary tubes were analyzed in positive ion mode with a limit of detection of 40 pg. Using bis(2-ethylhexyl) sebacate as an internal standard, the kinetics of the ozone-BeP reaction were assessed by determining the surface-bound BeP decays, after oxidation in an off-line reaction cell. The reaction is demonstrated to follow the Langmuir-Hinshelwood mechanism, known to prevail for heterogeneous reactions of this type. In addition, a wide array of oxygenated, condensed-phase products has been observed. The present work demonstrates the capability of the DART-MS technique to investigate the heterogeneous chemistry taking place on a wide range of surfaces, such as those that form in both outdoor and indoor environments.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-29},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Zhou, Shouming and Forbes, Matthew W. and Abbatt, Jonathan P. D.},\n\tmonth = may,\n\tyear = {2015},\n\tpages = {4733--4740},\n}\n\n\n\n
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\n A novel analytical method is presented whereby Direct Analysis in Real Time-Mass Spectrometry (DART-MS) is applied to the study of gas-surface heterogeneous reactions. To illustrate the capabilities of the approach, the kinetics of a well-studied reaction of surface-bound polycyclic aromatic hydrocarbons with ozone are presented. Specifically, using helium as the reagent gas and with the DART heater temperature of 500 °C, nanogram quantities of benzo[e]pyrene (BeP) deposited on the outside of glass melting point capillary tubes were analyzed in positive ion mode with a limit of detection of 40 pg. Using bis(2-ethylhexyl) sebacate as an internal standard, the kinetics of the ozone-BeP reaction were assessed by determining the surface-bound BeP decays, after oxidation in an off-line reaction cell. The reaction is demonstrated to follow the Langmuir-Hinshelwood mechanism, known to prevail for heterogeneous reactions of this type. In addition, a wide array of oxygenated, condensed-phase products has been observed. The present work demonstrates the capability of the DART-MS technique to investigate the heterogeneous chemistry taking place on a wide range of surfaces, such as those that form in both outdoor and indoor environments.\n
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\n \n\n \n \n \n \n \n \n Aspects of surface scanning by direct analysis in real time mass spectrometry employing plasma glow visualization: DART-MS surface analysis with plasma glow.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(13): 1242–1252. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AspectsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_aspects_2015,\n\ttitle = {Aspects of surface scanning by direct analysis in real time mass spectrometry employing plasma glow visualization: {DART}-{MS} surface analysis with plasma glow},\n\tvolume = {29},\n\tissn = {09514198},\n\tshorttitle = {Aspects of surface scanning by direct analysis in real time mass spectrometry employing plasma glow visualization},\n\turl = {http://doi.wiley.com/10.1002/rcm.7221},\n\tdoi = {10.1002/rcm.7221},\n\tabstract = {Rationale Visual monitoring of the Direct Analysis in Real Time (DART) gas impact region during sampling was demonstrated via its metastable plasma glow. It is known that adding neon into helium for DART leads to plasma glow, but this effect has not been used in practice and discussed in the literature so far. Methods A single quadrupole mass spectrometer with a DART SVPA ion source was used for recording of DART mass spectra from different surfaces, using galangin and p-coumaric acid as model analytes. In specific cases, the composition of the mass spectra was clarified using an Orbitrap mass spectrometer. Results Plasma glow visualization made it possible to track the metastable gas distributions during surface scanning. The influence on the composition of the mass spectra was studied for different carrier gases, i.e. pure helium versus a helium-neon mixture, and for the vacuum pumping rate. The spatial resolution was substantially improved via a DART cap with a narrowed internal diameter, but impaired by a decreased sensitivity. Comparably low signal intensities were obtained for analytes on porous layers due to analyte penetration and metastable gas scattering. Conclusions Visualization through the plasma glow enables the optimal selection of the coordinates for DART-MS analysis and thus it will support scanning and imaging MS on surfaces, including porous planar chromatographic separation materials.},\n\tlanguage = {en},\n\tnumber = {13},\n\turldate = {2016-01-29},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {1242--1252},\n}\n\n\n\n
\n
\n\n\n
\n Rationale Visual monitoring of the Direct Analysis in Real Time (DART) gas impact region during sampling was demonstrated via its metastable plasma glow. It is known that adding neon into helium for DART leads to plasma glow, but this effect has not been used in practice and discussed in the literature so far. Methods A single quadrupole mass spectrometer with a DART SVPA ion source was used for recording of DART mass spectra from different surfaces, using galangin and p-coumaric acid as model analytes. In specific cases, the composition of the mass spectra was clarified using an Orbitrap mass spectrometer. Results Plasma glow visualization made it possible to track the metastable gas distributions during surface scanning. The influence on the composition of the mass spectra was studied for different carrier gases, i.e. pure helium versus a helium-neon mixture, and for the vacuum pumping rate. The spatial resolution was substantially improved via a DART cap with a narrowed internal diameter, but impaired by a decreased sensitivity. Comparably low signal intensities were obtained for analytes on porous layers due to analyte penetration and metastable gas scattering. Conclusions Visualization through the plasma glow enables the optimal selection of the coordinates for DART-MS analysis and thus it will support scanning and imaging MS on surfaces, including porous planar chromatographic separation materials.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry of fused ring heterocyclic organometallic compounds.\n \n \n \n \n\n\n \n Mazzotta, M. G.; Young, J. O. E.; Evans, J. W.; Dopierala, L. A.; Claytor, Z. A.; Smith, A. C.; Snyder, C.; Tice, N. C.; and Smith, D. L.\n\n\n \n\n\n\n Anal. Methods, 7(9): 4003–4007. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{mazzotta_direct_2015,\n\ttitle = {Direct analysis in real time mass spectrometry of fused ring heterocyclic organometallic compounds},\n\tvolume = {7},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C5AY00295H},\n\tdoi = {10.1039/C5AY00295H},\n\tabstract = {Direct analysis in real time (DART) was able to desorb/ionize a series of fused-ring heterocyclic organometallic compounds to allow molecular analysis using a linear ion-trap mass spectrometer. Limited data is available pertaining to the use of ambient ionization with organometallic compounds but the developed analytical method allowed direct sampling of solutions prepared from pure organometallic compounds in dichloromethane to generate signals in the positive mode. A protonated molecule was detected (even when a charged ring structure was present) but signal intensity was dependent on the organometallic compound with respect to the specific metal-ligand interaction of the molecule as well as the helium gas temperature in the DART ion source. In addition, dimer formation for compounds was also observed. Tandem mass spectrometry was also possible to verify the tricarbonyl groups from the organometallic compound and show relative differences with respect to metal coordination. The desorption/ionization of these heterocyclic organometallic compounds with DART potentially gives synthetic chemists another ionization choice for rapid reaction product monitoring.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-29},\n\tjournal = {Anal. Methods},\n\tauthor = {Mazzotta, Michael G. and Young, Jason O. E. and Evans, Jesse W. and Dopierala, Levi A. and Claytor, Zachariah. A. and Smith, Adam C. and Snyder, Chad and Tice, Nathan C. and Smith, Darrin L.},\n\tyear = {2015},\n\tpages = {4003--4007},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) was able to desorb/ionize a series of fused-ring heterocyclic organometallic compounds to allow molecular analysis using a linear ion-trap mass spectrometer. Limited data is available pertaining to the use of ambient ionization with organometallic compounds but the developed analytical method allowed direct sampling of solutions prepared from pure organometallic compounds in dichloromethane to generate signals in the positive mode. A protonated molecule was detected (even when a charged ring structure was present) but signal intensity was dependent on the organometallic compound with respect to the specific metal-ligand interaction of the molecule as well as the helium gas temperature in the DART ion source. In addition, dimer formation for compounds was also observed. Tandem mass spectrometry was also possible to verify the tricarbonyl groups from the organometallic compound and show relative differences with respect to metal coordination. The desorption/ionization of these heterocyclic organometallic compounds with DART potentially gives synthetic chemists another ionization choice for rapid reaction product monitoring.\n
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\n \n\n \n \n \n \n \n \n Plant Seed Species Identification from Chemical Fingerprints: A High-Throughput Application of Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Lesiak, A. D.; Cody, R. B.; Dane, A. J.; and Musah, R. A.\n\n\n \n\n\n\n Analytical Chemistry, 87(17): 8748–8757. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"PlantPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_plant_2015,\n\ttitle = {Plant {Seed} {Species} {Identification} from {Chemical} {Fingerprints}: {A} {High}-{Throughput} {Application} of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {87},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Plant {Seed} {Species} {Identification} from {Chemical} {Fingerprints}},\n\turl = {http://pubs.acs.org/doi/10.1021/acs.analchem.5b01611},\n\tdoi = {10.1021/acs.analchem.5b01611},\n\tabstract = {Plant species identification based on the morphological features of plant parts is a well-established science in botany. However, species identification from seeds has largely been unexplored, despite the fact that the seeds contain all of the genetic information that distinguishes one plant from another. Using seeds of genus Datura plants, we show here that the mass spectrum-derived chemical fingerprints for seeds of the same species are similar. On the other hand, seeds from different species within the same genus display distinct chemical signatures, even though they may contain similar characteristic biomarkers. The intraspecies chemical signature similarities on the one hand, and interspecies fingerprint differences on the other, can be processed by multivariate statistical analysis methods to enable rapid species-level identification and differentiation. The chemical fingerprints can be acquired rapidly and in a high-throughput manner by direct analysis in real time mass spectrometry (DART-MS) analysis of the seeds in their native form, without use of a solvent extract. Importantly, knowledge of the identity of the detected molecules is not required for species level identification. However, confirmation of the presence within the seeds of various characteristic tropane and other alkaloids, including atropine, scopolamine, scopoline, tropine, tropinone, and tyramine, was accomplished by comparison of the in-source collision-induced dissociation (CID) fragmentation patterns of authentic standards, to the fragmentation patterns observed in the seeds when analyzed under similar in-source CID conditions. The advantages, applications, and implications of the chemometric processing of DART-MS derived seed chemical signatures for species level identification and differentiation are discussed.},\n\tlanguage = {en},\n\tnumber = {17},\n\turldate = {2016-01-28},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Lesiak, Ashton D. and Cody, Robert B. and Dane, A. John and Musah, Rabi A.},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {8748--8757},\n}\n\n\n\n
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\n\n\n
\n Plant species identification based on the morphological features of plant parts is a well-established science in botany. However, species identification from seeds has largely been unexplored, despite the fact that the seeds contain all of the genetic information that distinguishes one plant from another. Using seeds of genus Datura plants, we show here that the mass spectrum-derived chemical fingerprints for seeds of the same species are similar. On the other hand, seeds from different species within the same genus display distinct chemical signatures, even though they may contain similar characteristic biomarkers. The intraspecies chemical signature similarities on the one hand, and interspecies fingerprint differences on the other, can be processed by multivariate statistical analysis methods to enable rapid species-level identification and differentiation. The chemical fingerprints can be acquired rapidly and in a high-throughput manner by direct analysis in real time mass spectrometry (DART-MS) analysis of the seeds in their native form, without use of a solvent extract. Importantly, knowledge of the identity of the detected molecules is not required for species level identification. However, confirmation of the presence within the seeds of various characteristic tropane and other alkaloids, including atropine, scopolamine, scopoline, tropine, tropinone, and tyramine, was accomplished by comparison of the in-source collision-induced dissociation (CID) fragmentation patterns of authentic standards, to the fragmentation patterns observed in the seeds when analyzed under similar in-source CID conditions. The advantages, applications, and implications of the chemometric processing of DART-MS derived seed chemical signatures for species level identification and differentiation are discussed.\n
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\n \n\n \n \n \n \n \n \n Determination of Dicyandiamide in Powdered Milk Using Direct Analysis in Real Time Quadrupole Time-of-Flight Tandem Mass Spectrometry.\n \n \n \n \n\n\n \n Zhang, L.; Yong, W.; Liu, J.; Wang, S.; Chen, Q.; Guo, T.; Zhang, J.; Tan, T.; Su, H.; and Dong, Y.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 26(8): 1414–1422. August 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhang_determination_2015,\n\ttitle = {Determination of {Dicyandiamide} in {Powdered} {Milk} {Using} {Direct} {Analysis} in {Real} {Time} {Quadrupole} {Time}-of-{Flight} {Tandem} {Mass} {Spectrometry}},\n\tvolume = {26},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-015-1142-x},\n\tdoi = {10.1007/s13361-015-1142-x},\n\tabstract = {The direct analysis in real time (DART) ionization source coupled with quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples without sample cleanup or chromatographic separation. In this work, a method based on DART/Q-TOF MS/MS has been developed for rapid identification of dicyandiamide (DCD) present in powdered milk. Simple sample extraction procedure employing acetonitrile-water (80:20, v/v) mixture was followed by direct, high-throughput determination of sample extracts spread on a steel mesh of the transmission module by mass spectrometry under ambient conditions. The method has been evaluated for both qualitative and quantitative analysis of DCD in powdered milk. Variables including experimental apparatus, DART gas heater temperature, sample presentation speed, and vacuum pressure were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision, and accuracy by using external standards. After optimization of these parameters, a limit of detection (LOD) of 100 μg kg-1 was obtained for DCD with a linear working range from 100 to 10000 μg kg-1 and a satisfactory correlation coefficient (R2) of 0.9997. Good recovery (80.08\\%-106.47\\%) and repeatability (RSD∈=∈3.0\\%-5.4\\%) were achieved for DCD. The DART/Q-TOF MS/MS-based method provides a rapid, efficient, and powerful scheme to analyze DCD in powdered milk with limited sample preparation, thus reducing time and complexity of quality control.},\n\tlanguage = {en},\n\tnumber = {8},\n\turldate = {2016-01-29},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Zhang, Liya and Yong, Wei and Liu, Jiahui and Wang, Sai and Chen, Qilong and Guo, Tianyang and Zhang, Jichuan and Tan, Tianwei and Su, Haijia and Dong, Yiyang},\n\tmonth = aug,\n\tyear = {2015},\n\tpages = {1414--1422},\n}\n\n\n\n
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\n The direct analysis in real time (DART) ionization source coupled with quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples without sample cleanup or chromatographic separation. In this work, a method based on DART/Q-TOF MS/MS has been developed for rapid identification of dicyandiamide (DCD) present in powdered milk. Simple sample extraction procedure employing acetonitrile-water (80:20, v/v) mixture was followed by direct, high-throughput determination of sample extracts spread on a steel mesh of the transmission module by mass spectrometry under ambient conditions. The method has been evaluated for both qualitative and quantitative analysis of DCD in powdered milk. Variables including experimental apparatus, DART gas heater temperature, sample presentation speed, and vacuum pressure were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision, and accuracy by using external standards. After optimization of these parameters, a limit of detection (LOD) of 100 μg kg-1 was obtained for DCD with a linear working range from 100 to 10000 μg kg-1 and a satisfactory correlation coefficient (R2) of 0.9997. Good recovery (80.08%-106.47%) and repeatability (RSD∈=∈3.0%-5.4%) were achieved for DCD. The DART/Q-TOF MS/MS-based method provides a rapid, efficient, and powerful scheme to analyze DCD in powdered milk with limited sample preparation, thus reducing time and complexity of quality control.\n
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\n \n\n \n \n \n \n \n \n Just dip it: online coupling of “Dip-it” polymer monolith microextraction with plasma assisted laser desorption ionization mass spectrometry.\n \n \n \n \n\n\n \n Wang, X.; Li, X.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Chem. Commun., 51(22): 4615–4618. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"JustPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_just_2015,\n\ttitle = {Just dip it: online coupling of “{Dip}-it” polymer monolith microextraction with plasma assisted laser desorption ionization mass spectrometry},\n\tvolume = {51},\n\tissn = {1359-7345, 1364-548X},\n\tshorttitle = {Just dip it},\n\turl = {http://xlink.rsc.org/?DOI=C5CC00022J},\n\tdoi = {10.1039/C5CC00022J},\n\tabstract = {A polymer monolith microextraction (PMME) procedure coupled to plasma assisted laser desorption ionization mass spectrometry (PMME-PALDI-MS) was developed for rapid and organic solvent-free trace analysis. The extraction device used a “Dip-it” sampler coated with a MWNT incorporated monolith, and the analytes adsorbed on monoliths were effectively desorbed by laser, improving detection sensitivity.},\n\tlanguage = {en},\n\tnumber = {22},\n\turldate = {2016-07-14},\n\tjournal = {Chem. Commun.},\n\tauthor = {Wang, Xin and Li, Xianjiang and Bai, Yu and Liu, Huwei},\n\tyear = {2015},\n\tpages = {4615--4618},\n}\n\n\n\n
\n
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\n A polymer monolith microextraction (PMME) procedure coupled to plasma assisted laser desorption ionization mass spectrometry (PMME-PALDI-MS) was developed for rapid and organic solvent-free trace analysis. The extraction device used a “Dip-it” sampler coated with a MWNT incorporated monolith, and the analytes adsorbed on monoliths were effectively desorbed by laser, improving detection sensitivity.\n
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\n \n\n \n \n \n \n \n \n Metabolic chemotypes of CITES protected Dalbergia timbers from Africa, Madagascar, and Asia: Metabolic chemotypes of Dalbergia.\n \n \n \n \n\n\n \n McClure, P. J.; Chavarria, G. D.; and Espinoza, E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(9): 783–788. May 2015.\n \n\n\n\n
\n\n\n\n \n \n \"MetabolicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{mcclure_metabolic_2015,\n\ttitle = {Metabolic chemotypes of {CITES} protected {Dalbergia} timbers from {Africa}, {Madagascar}, and {Asia}: {Metabolic} chemotypes of {Dalbergia}},\n\tvolume = {29},\n\tissn = {09514198},\n\tshorttitle = {Metabolic chemotypes of {CITES} protected \\textit{{Dalbergia}} timbers from {Africa}, {Madagascar}, and {Asia}},\n\turl = {http://doi.wiley.com/10.1002/rcm.7163},\n\tdoi = {10.1002/rcm.7163},\n\tabstract = {Rationale: The genus Dalbergia includes approximately 250 species worldwide. Of these, 58 species are of economic importance and listed under CITES. Identification of illegal transnational timber trade is a challenge because logs or boards lack the typical descriptors used for species identification such as leaves and flowers; therefore, frequently the lowest taxonomic determination of these tree byproducts is genus. In this study, we explore the use of Direct Analysis in Real Time (DART) Time-Of-Flight Mass Spectrometry (TOFMS) in making species determinations of protected Dalbergia trees from Africa, Madagascar, and Asia. Methods: Metabolic profiles were collected using DART TOFMS from the heartwood of seven species and the sapwood of 17 species of Dalbergia. Also included in this study are 85 Dalbergia heartwood samples from Madagascar that were only identified to genus. In all, 21 species comprising 235 specimens were analyzed, the metabolic chemotypes were interpreted, and the spectra were analyzed using chemometric tools. Results: Dalbergia cochinchinensis and Dalbergia spp. from Madagascar (both CITES Appendix II) could be differentiated from each other and from the non-protected Dalbergia latifolia and Dalbergia melanoxylon. Conclusions: DART TOFMS is a valuable high-throughput tool useful for making phytochemical classifications of Dalbergia spp. The data produced allows the protected Dalbergias from Madagascar to be distinguished and can differentiate closely related rosewood trees. Published in 2015. This article is a U.S. Government work and is in the public domain in the USA.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-29},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {McClure, Pamela J. and Chavarria, Gabriela D. and Espinoza, Edgard},\n\tmonth = may,\n\tyear = {2015},\n\tpages = {783--788},\n}\n\n\n\n
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\n Rationale: The genus Dalbergia includes approximately 250 species worldwide. Of these, 58 species are of economic importance and listed under CITES. Identification of illegal transnational timber trade is a challenge because logs or boards lack the typical descriptors used for species identification such as leaves and flowers; therefore, frequently the lowest taxonomic determination of these tree byproducts is genus. In this study, we explore the use of Direct Analysis in Real Time (DART) Time-Of-Flight Mass Spectrometry (TOFMS) in making species determinations of protected Dalbergia trees from Africa, Madagascar, and Asia. Methods: Metabolic profiles were collected using DART TOFMS from the heartwood of seven species and the sapwood of 17 species of Dalbergia. Also included in this study are 85 Dalbergia heartwood samples from Madagascar that were only identified to genus. In all, 21 species comprising 235 specimens were analyzed, the metabolic chemotypes were interpreted, and the spectra were analyzed using chemometric tools. Results: Dalbergia cochinchinensis and Dalbergia spp. from Madagascar (both CITES Appendix II) could be differentiated from each other and from the non-protected Dalbergia latifolia and Dalbergia melanoxylon. Conclusions: DART TOFMS is a valuable high-throughput tool useful for making phytochemical classifications of Dalbergia spp. The data produced allows the protected Dalbergias from Madagascar to be distinguished and can differentiate closely related rosewood trees. Published in 2015. This article is a U.S. Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Rapid screening for the adulterants of Berberis aristata using direct analysis in real-time mass spectrometry and principal component analysis for discrimination.\n \n \n \n \n\n\n \n Bajpai, V.; Singh, A.; Arya, K. R.; Srivastava, M.; and Kumar, B.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 32(6): 799–807. June 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bajpai_rapid_2015,\n\ttitle = {Rapid screening for the adulterants of {Berberis} aristata using direct analysis in real-time mass spectrometry and principal component analysis for discrimination},\n\tvolume = {32},\n\tissn = {1944-0049, 1944-0057},\n\turl = {http://www.tandfonline.com/doi/full/10.1080/19440049.2015.1022885},\n\tdoi = {10.1080/19440049.2015.1022885},\n\tabstract = {Adulteration or substitution of commercial Berberis aristata and its herbal products with inferior-quality substituents is very common. Metabolic profiling of B. aristata, along with its common adulterants/contaminants/substituents such as B. asiatica, Mahonia borealis and Coscinium fenestratum, was rapidly carried out using direct analysis in real-time mass spectrometry (DART MS) to generate the chemical fingerprints for the differentiation of these species. Phytochemical analysis showed the presence of mainly alkaloids. The identified alkaloids were berberrubine, berberine, jatrorrhizine, ketoberberine, palmatine, dihydropalmatine or 7,8-dihydro-8-hydroxyberberine, berbamine and pakistanamine. Berberine, which was mainly reported from the root and stem bark of B. aristata, was also identified in the leaf along with chlorogenic acid. The DART MS data have been subjected to principal component analysis (PCA). The resulting score plots showed clustering and clear differentiation of the species and plant parts. It is thus apparent that the technique of DART MS followed by PCA is a quick and reliable method for the direct profiling of B. aristata and its adulterant plants and plant parts. The study reports the rapid analytical method to identify the possibility of illegal adulteration/contamination/substitution in potential plant materials and herbal extracts.},\n\tlanguage = {en},\n\tnumber = {6},\n\turldate = {2016-01-28},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Bajpai, Vikas and Singh, Awantika and Arya, Kamal Ram and Srivastava, Mukesh and Kumar, Brijesh},\n\tmonth = jun,\n\tyear = {2015},\n\tpages = {799--807},\n}\n\n\n\n
\n
\n\n\n
\n Adulteration or substitution of commercial Berberis aristata and its herbal products with inferior-quality substituents is very common. Metabolic profiling of B. aristata, along with its common adulterants/contaminants/substituents such as B. asiatica, Mahonia borealis and Coscinium fenestratum, was rapidly carried out using direct analysis in real-time mass spectrometry (DART MS) to generate the chemical fingerprints for the differentiation of these species. Phytochemical analysis showed the presence of mainly alkaloids. The identified alkaloids were berberrubine, berberine, jatrorrhizine, ketoberberine, palmatine, dihydropalmatine or 7,8-dihydro-8-hydroxyberberine, berbamine and pakistanamine. Berberine, which was mainly reported from the root and stem bark of B. aristata, was also identified in the leaf along with chlorogenic acid. The DART MS data have been subjected to principal component analysis (PCA). The resulting score plots showed clustering and clear differentiation of the species and plant parts. It is thus apparent that the technique of DART MS followed by PCA is a quick and reliable method for the direct profiling of B. aristata and its adulterant plants and plant parts. The study reports the rapid analytical method to identify the possibility of illegal adulteration/contamination/substitution in potential plant materials and herbal extracts.\n
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\n \n\n \n \n \n \n \n \n Interface for Online Coupling of Surface Plasmon Resonance to Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Zhang, Y.; Li, X.; Nie, H.; Yang, L.; Li, Z.; Bai, Y.; Niu, L.; Song, D.; and Liu, H.\n\n\n \n\n\n\n Analytical Chemistry, 87(13): 6505–6509. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"InterfacePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhang_interface_2015,\n\ttitle = {Interface for {Online} {Coupling} of {Surface} {Plasmon} {Resonance} to {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {87},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.analchem.5b01272},\n\tdoi = {10.1021/acs.analchem.5b01272},\n\tlanguage = {en},\n\tnumber = {13},\n\turldate = {2016-01-29},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Zhang, Yiding and Li, Xianjiang and Nie, Honggang and Yang, Li and Li, Ze and Bai, Yu and Niu, Li and Song, Daqian and Liu, Huwei},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {6505--6509},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid fingerprinting of Rauwolfia species using direct analysis in real time mass spectrometry combined with principal component analysis for their discrimination.\n \n \n \n \n\n\n \n Kumar, S.; Bajpai, V.; Singh, A.; Bindu, S.; Srivastava, M.; Rameshkumar, K. B.; and Kumar, B.\n\n\n \n\n\n\n Anal. Methods, 7(14): 6021–6026. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{kumar_rapid_2015,\n\ttitle = {Rapid fingerprinting of {Rauwolfia} species using direct analysis in real time mass spectrometry combined with principal component analysis for their discrimination},\n\tvolume = {7},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C5AY01249J},\n\tdoi = {10.1039/C5AY01249J},\n\tabstract = {Medicinal plants of the genus Rauwolfia (Apocynaceae) are extensively used as folk medicines worldwide. Its antihypertensive activity is well known due to the presence of monoterpene indole alkaloids (MIAs). The therapeutic potential of the herbal medicines are affected due to variation of bioactive phytoconstituents. Therefore, a rapid and validated method was developed for fingerprinting of roots and leaves of six Rauwolfia species by direct analysis in real time mass spectrometry (DART-MS). Seventeen bioactive MIAs were tentatively identified on the basis of their exact mass measurement from the intact plant parts. Furthermore, principal component analysis (PCA) was used to analyze the DART-MS data of six Rauwolfia species to identify the chemical markers. Thirteen and twenty-three chemical markers were identified from the roots and leaves which were able to discriminate among six Rauwolfia species. This method was also cross-validated for the rapid identification, authentication and quality control of Rauwolfia species.},\n\tlanguage = {en},\n\tnumber = {14},\n\turldate = {2016-01-28},\n\tjournal = {Anal. Methods},\n\tauthor = {Kumar, Sunil and Bajpai, Vikas and Singh, Awantika and Bindu, S. and Srivastava, Mukesh and Rameshkumar, K. B. and Kumar, Brijesh},\n\tyear = {2015},\n\tpages = {6021--6026},\n}\n\n\n\n
\n
\n\n\n
\n Medicinal plants of the genus Rauwolfia (Apocynaceae) are extensively used as folk medicines worldwide. Its antihypertensive activity is well known due to the presence of monoterpene indole alkaloids (MIAs). The therapeutic potential of the herbal medicines are affected due to variation of bioactive phytoconstituents. Therefore, a rapid and validated method was developed for fingerprinting of roots and leaves of six Rauwolfia species by direct analysis in real time mass spectrometry (DART-MS). Seventeen bioactive MIAs were tentatively identified on the basis of their exact mass measurement from the intact plant parts. Furthermore, principal component analysis (PCA) was used to analyze the DART-MS data of six Rauwolfia species to identify the chemical markers. Thirteen and twenty-three chemical markers were identified from the roots and leaves which were able to discriminate among six Rauwolfia species. This method was also cross-validated for the rapid identification, authentication and quality control of Rauwolfia species.\n
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\n \n\n \n \n \n \n \n \n Office Chromatography: Precise printing of sample solutions on miniaturized thin-layer phases and utilization for scanning Direct Analysis in Real Time mass spectrometry.\n \n \n \n \n\n\n \n Häbe, T. T.; and Morlock, G. E.\n\n\n \n\n\n\n Journal of Chromatography A, 1413: 127–134. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"OfficePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{habe_office_2015,\n\ttitle = {Office {Chromatography}: {Precise} printing of sample solutions on miniaturized thin-layer phases and utilization for scanning {Direct} {Analysis} in {Real} {Time} mass spectrometry},\n\tvolume = {1413},\n\tissn = {00219673},\n\tshorttitle = {Office {Chromatography}},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0021967315011309},\n\tdoi = {10.1016/j.chroma.2015.08.003},\n\tabstract = {Office Chromatography combines achievements in office technologies with miniaturized planar chromatography. In the life sciences, printing of materials became an accepted technique, whereas in separation science, the use of printers for chromatography is at its infancy. A bubble-jet printer was modified for exact application on miniaturized plates. Technical modifications included the removal of all unnecessary parts and the improvement of the positioning system, purge unit and sample supply system. Evaluation was performed via a slide scanner and image evaluation software. Printing of a food dye mixture solution (n=5) led to a calculated mean deposition volume of 13±1nL/mm2 per print-cycle. A mean determination coefficient (R2; n=5) of 0.9990 was obtained for application of increasing volumes, executed via increasing band widths of 50-200μm (corresponding to 2-8nL). Using larger band widths and multiple print jobs, deposition volumes of up to the microliter scale represented an alternative to cost-intensive standard equipment. After print, separation, detection and digital evaluation of five food dyes, mean R2 (n=5) were obtained between 0.9977 and 0.9995. The accuracy of printing was proven by mean recovery rates of 101-105\\% with repeatabilities of 3-7\\% (\\%RSD, n=5). The transfer to nanostructured ultrathin-layer plates proved the synergetic potential of these fields of research. First, this modified printer was suited for printing of finely graduated scales of three preservatives for determination of the spatial resolution of scanning Direct Analysis in Real Time mass spectrometry.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Häbe, Tim T. and Morlock, Gertrud E.},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {127--134},\n}\n\n\n\n
\n
\n\n\n
\n Office Chromatography combines achievements in office technologies with miniaturized planar chromatography. In the life sciences, printing of materials became an accepted technique, whereas in separation science, the use of printers for chromatography is at its infancy. A bubble-jet printer was modified for exact application on miniaturized plates. Technical modifications included the removal of all unnecessary parts and the improvement of the positioning system, purge unit and sample supply system. Evaluation was performed via a slide scanner and image evaluation software. Printing of a food dye mixture solution (n=5) led to a calculated mean deposition volume of 13±1nL/mm2 per print-cycle. A mean determination coefficient (R2; n=5) of 0.9990 was obtained for application of increasing volumes, executed via increasing band widths of 50-200μm (corresponding to 2-8nL). Using larger band widths and multiple print jobs, deposition volumes of up to the microliter scale represented an alternative to cost-intensive standard equipment. After print, separation, detection and digital evaluation of five food dyes, mean R2 (n=5) were obtained between 0.9977 and 0.9995. The accuracy of printing was proven by mean recovery rates of 101-105% with repeatabilities of 3-7% (%RSD, n=5). The transfer to nanostructured ultrathin-layer plates proved the synergetic potential of these fields of research. First, this modified printer was suited for printing of finely graduated scales of three preservatives for determination of the spatial resolution of scanning Direct Analysis in Real Time mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Determination of T-2 and HT-2 toxins from maize by direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Busman, M.; and Maragos, C.\n\n\n \n\n\n\n World Mycotoxin Journal, 8(4): 489–497. August 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{busman_determination_2015,\n\ttitle = {Determination of {T}-2 and {HT}-2 toxins from maize by direct analysis in real time mass spectrometry},\n\tvolume = {8},\n\tissn = {1875-0710, 1875-0796},\n\turl = {http://www.wageningenacademic.com/doi/10.3920/WMJ2014.1854},\n\tdoi = {10.3920/WMJ2014.1854},\n\tabstract = {Direct analysis in real time (DART) ionisation coupled to mass spectrometry (MS) was used for the rapid quantitative analysis of T-2 toxin (T-2) and the related HT-2 toxin (HT-2), extracted from maize. Sample preparation procedures and instrument parameters were optimised to obtain sensitive and accurate determination of the toxins. The lowest calibration levels were 50 μg/kg for T-2 and 300 μg/kg for HT-2. Quantitative analysis was performed with the use of matrix-matched standards employing the 13C-labelled internal standard for T-2. DART-MS of maize extracts spiked with T-2 gave a linear response over the range of 50-1000 μg/kg. With the isotope dilution technique, good recoveries (99-110\\%) and repeatabilities (relative standard deviaiton 7.4-11.6\\%) were obtained at T-2 spiking levels of 100 and 1000 μg/kg. Adaptability of the developed method was demonstrated by analysis of T-2 and HT-2 from an oat flour quality control material. The results here further indicate the potential for application of ambient ionisation mass spectrometry to provide accurate, convenient quantitation of mycotoxins from grains.},\n\tlanguage = {en},\n\tnumber = {4},\n\turldate = {2016-01-28},\n\tjournal = {World Mycotoxin Journal},\n\tauthor = {Busman, M. and Maragos, C.M.},\n\tmonth = aug,\n\tyear = {2015},\n\tpages = {489--497},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) ionisation coupled to mass spectrometry (MS) was used for the rapid quantitative analysis of T-2 toxin (T-2) and the related HT-2 toxin (HT-2), extracted from maize. Sample preparation procedures and instrument parameters were optimised to obtain sensitive and accurate determination of the toxins. The lowest calibration levels were 50 μg/kg for T-2 and 300 μg/kg for HT-2. Quantitative analysis was performed with the use of matrix-matched standards employing the 13C-labelled internal standard for T-2. DART-MS of maize extracts spiked with T-2 gave a linear response over the range of 50-1000 μg/kg. With the isotope dilution technique, good recoveries (99-110%) and repeatabilities (relative standard deviaiton 7.4-11.6%) were obtained at T-2 spiking levels of 100 and 1000 μg/kg. Adaptability of the developed method was demonstrated by analysis of T-2 and HT-2 from an oat flour quality control material. The results here further indicate the potential for application of ambient ionisation mass spectrometry to provide accurate, convenient quantitation of mycotoxins from grains.\n
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\n \n\n \n \n \n \n \n \n Detection of nicotine as an indicator of tobacco smoke by direct analysis in real time (DART) tandem mass spectrometry.\n \n \n \n \n\n\n \n Kuki, Á.; Nagy, L.; Nagy, T.; Zsuga, M.; and Kéki, S.\n\n\n \n\n\n\n Atmospheric Environment, 100: 74–77. January 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{kuki_detection_2015,\n\ttitle = {Detection of nicotine as an indicator of tobacco smoke by direct analysis in real time ({DART}) tandem mass spectrometry},\n\tvolume = {100},\n\tissn = {13522310},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1352231014008437},\n\tdoi = {10.1016/j.atmosenv.2014.10.046},\n\tabstract = {The residual tobacco smoke contamination (thirdhand smoke, THS) on the clothes of a smoker was examined by direct analysis in real time (DART) mass spectrometry. DART-MS enabled sensitive and selective analysis of nicotine as the indicator of tobacco smoke pollution. Tandem mass spectrometric (MS/MS) experiments were also performed to confirm the identification of nicotine. Transferred thirdhand smoke originated from the fingers of a smoker onto other objects was also detected by DART mass spectrometry. DART-MS/MS was utilized for monitoring the secondhand tobacco smoke (SHS) in the air of the laboratory using nicotine as an indicator. To the best of our knowledge, this is the first report on the application of DART-MS and DART-MS/MS to the detection of thirdhand smoke and to the monitoring of secondhand smoke.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Atmospheric Environment},\n\tauthor = {Kuki, Ákos and Nagy, Lajos and Nagy, Tibor and Zsuga, Miklós and Kéki, Sándor},\n\tmonth = jan,\n\tyear = {2015},\n\tpages = {74--77},\n}\n\n\n\n
\n
\n\n\n
\n The residual tobacco smoke contamination (thirdhand smoke, THS) on the clothes of a smoker was examined by direct analysis in real time (DART) mass spectrometry. DART-MS enabled sensitive and selective analysis of nicotine as the indicator of tobacco smoke pollution. Tandem mass spectrometric (MS/MS) experiments were also performed to confirm the identification of nicotine. Transferred thirdhand smoke originated from the fingers of a smoker onto other objects was also detected by DART mass spectrometry. DART-MS/MS was utilized for monitoring the secondhand tobacco smoke (SHS) in the air of the laboratory using nicotine as an indicator. To the best of our knowledge, this is the first report on the application of DART-MS and DART-MS/MS to the detection of thirdhand smoke and to the monitoring of secondhand smoke.\n
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\n \n\n \n \n \n \n \n \n Flexible Device for Direct Analysis in Real Time without Grid Electrode for Mass Spectrometric Analysis.\n \n \n \n \n\n\n \n Han, Y.; Zhang, Y.; Yang, Y.; Huang, Y.; and Xu, X.\n\n\n \n\n\n\n Chinese Journal of Analytical Chemistry, 43(3): 451–456. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"FlexiblePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{han_flexible_2015,\n\ttitle = {Flexible {Device} for {Direct} {Analysis} in {Real} {Time} without {Grid} {Electrode} for {Mass} {Spectrometric} {Analysis}},\n\tvolume = {43},\n\tissn = {18722040},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1872204015608131},\n\tdoi = {10.1016/S1872-2040(15)60813-1},\n\tabstract = {A flexible and simple direct analysis in real-time (DART) device was developed without grid electrode for mass spectrometer injection. It contained inert carrier gas, ionizer, heater and temperature-controller etc. By excluding the grid electrode and then reducing the structure units, the device could be easy to build up in low cost and flexible to connect with a variety of mass spectrometers. Under the optimum experimental conditions including argon carrier gas with a flow rate of 7.5 L min-1, and heat tape temperature of 300°C, the device was used to analyze benzene alcohol, linoleic acid, dichlorvos emulsion, mosquito coils, citrus peel, and sample (propranolol hydrochloride) on thin-layer plate combined with mass spectrometer. The results were accurate and showed the device was stable and reliable. Copyright © 2015, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-28},\n\tjournal = {Chinese Journal of Analytical Chemistry},\n\tauthor = {Han, Yu-Liang and Zhang, Yao-Li and Yang, Yu-Hui and Huang, Yu-Yu and Xu, Xu},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {451--456},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n A flexible and simple direct analysis in real-time (DART) device was developed without grid electrode for mass spectrometer injection. It contained inert carrier gas, ionizer, heater and temperature-controller etc. By excluding the grid electrode and then reducing the structure units, the device could be easy to build up in low cost and flexible to connect with a variety of mass spectrometers. Under the optimum experimental conditions including argon carrier gas with a flow rate of 7.5 L min-1, and heat tape temperature of 300°C, the device was used to analyze benzene alcohol, linoleic acid, dichlorvos emulsion, mosquito coils, citrus peel, and sample (propranolol hydrochloride) on thin-layer plate combined with mass spectrometer. The results were accurate and showed the device was stable and reliable. Copyright © 2015, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences.\n
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\n \n\n \n \n \n \n \n \n Analysis of the cyanolichen Lichina pygmaea metabolites using in situ DART-MS: from detection to thermochemistry of mycosporine serinol: DART-MS of cyanolichen Lichina pygmea metabolites.\n \n \n \n \n\n\n \n Le Pogam, P.; Legouin, B.; Le Lamer, A.; Boustie, J.; and Rondeau, D.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 50(3): 454–462. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{le_pogam_analysis_2015,\n\ttitle = {Analysis of the cyanolichen {Lichina} pygmaea metabolites using in situ {DART}-{MS}: from detection to thermochemistry of mycosporine serinol: {DART}-{MS} of cyanolichen {Lichina} pygmea metabolites},\n\tvolume = {50},\n\tissn = {10765174},\n\tshorttitle = {Analysis of the cyanolichen \\textit{{Lichina} pygmaea} metabolites using \\textit{in situ} {DART}-{MS}},\n\turl = {http://doi.wiley.com/10.1002/jms.3549},\n\tdoi = {10.1002/jms.3549},\n\tabstract = {Direct Analysis in Real Time DART-HRMS is here first applied to the detection of molecules from a lichen, Lichina pygmaea. The aim was to propose an innovative method of in situ detection of lichen secondary metabolites using the possibilities of elemental composition determination available when a DART source is interfaced with a TOF analyzer. Three kinds of samples have been submitted to DART ionization, i.e. an intact thallus, a powder obtained from the crushed lichen and an aqueous extract. In situ analysis of crushed lichen, yields an extensive chemical profile, comparable to what is obtained from the aqueous extract, comprising both major polar metabolites described in literature along with some other signals that could correspond to potentially unknown metabolites. One of the detected secondary metabolites, mycosporine serinol, underwent a dehydration reaction prior to its transfer in the gas-phase by DART ionization. The consideration of the thermal transfers involved in the DART ionization process and the possibility to record time-dependent mass spectra through the use of the TOF analyzer allowed establishing Arrhenius plots of this water molecule loss to obtain associated thermodynamic quantities. The low values of corresponding activation enthalpy (Δr‡Hm of the order of 25kJmol-1) enabled formulating some assumption regarding a possible role of such metabolites in the lichen.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Le Pogam, Pierre and Legouin, Béatrice and Le Lamer, Anne-Cécile and Boustie, Joël and Rondeau, David},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {454--462},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time DART-HRMS is here first applied to the detection of molecules from a lichen, Lichina pygmaea. The aim was to propose an innovative method of in situ detection of lichen secondary metabolites using the possibilities of elemental composition determination available when a DART source is interfaced with a TOF analyzer. Three kinds of samples have been submitted to DART ionization, i.e. an intact thallus, a powder obtained from the crushed lichen and an aqueous extract. In situ analysis of crushed lichen, yields an extensive chemical profile, comparable to what is obtained from the aqueous extract, comprising both major polar metabolites described in literature along with some other signals that could correspond to potentially unknown metabolites. One of the detected secondary metabolites, mycosporine serinol, underwent a dehydration reaction prior to its transfer in the gas-phase by DART ionization. The consideration of the thermal transfers involved in the DART ionization process and the possibility to record time-dependent mass spectra through the use of the TOF analyzer allowed establishing Arrhenius plots of this water molecule loss to obtain associated thermodynamic quantities. The low values of corresponding activation enthalpy (Δr‡Hm of the order of 25kJmol-1) enabled formulating some assumption regarding a possible role of such metabolites in the lichen.\n
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\n \n\n \n \n \n \n \n \n Analysis of Silicones Released from Household Items and Baby Articles by Direct Analysis in Real Time-Mass Spectrometry.\n \n \n \n \n\n\n \n Gross, J. H.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 26(3): 511–521. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{gross_analysis_2015,\n\ttitle = {Analysis of {Silicones} {Released} from {Household} {Items} and {Baby} {Articles} by {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry}},\n\tvolume = {26},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-014-1042-5},\n\tdoi = {10.1007/s13361-014-1042-5},\n\tabstract = {Direct analysis in real time-mass spectrometry (DART-MS) enables screening of articles of daily use made of polydimethylsiloxanes (PDMS), commonly known as silicone rubber, to assess their tendency to release low molecular weight silicone oligomers. DART-MS analyses were performed on a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. Flexible silicone baking molds, a watch band, and a dough scraper, as baby articles different brands of pacifiers, nipples, and a teething ring have been examined. While somewhat arbitrarily chosen, the set can be regarded as representative of household items, baby articles, and other objects made of silicone rubber. For comparison, two brands of silicone septa and as blanks a glass slide and a latex pacifier were included. Differences between the objects were mainly observed in terms of molecular weight distribution and occasional release of other compounds in addition to PDMS. Other than that, all objects made of silicone rubber released significant amounts of PDMS during DART analysis. To provide a coarse quantification, a calibration based on silicone oil was established, which delivered PDMS losses from 20 μg to {\\textgreater}100 μg during the 16-s period per measurement. Also, the extraction of baking molds in rapeseed oil demonstrated a PDMS release at the level of 1 μg mg-1. These findings indicate a potential health hazard from frequent or long-term use of such items. This work does not intend to blame certain brands of such articles. Nonetheless, a higher level of awareness of this source of daily silicone intake is suggested.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-28},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Gross, Jürgen H.},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {511--521},\n}\n\n\n\n
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\n Direct analysis in real time-mass spectrometry (DART-MS) enables screening of articles of daily use made of polydimethylsiloxanes (PDMS), commonly known as silicone rubber, to assess their tendency to release low molecular weight silicone oligomers. DART-MS analyses were performed on a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. Flexible silicone baking molds, a watch band, and a dough scraper, as baby articles different brands of pacifiers, nipples, and a teething ring have been examined. While somewhat arbitrarily chosen, the set can be regarded as representative of household items, baby articles, and other objects made of silicone rubber. For comparison, two brands of silicone septa and as blanks a glass slide and a latex pacifier were included. Differences between the objects were mainly observed in terms of molecular weight distribution and occasional release of other compounds in addition to PDMS. Other than that, all objects made of silicone rubber released significant amounts of PDMS during DART analysis. To provide a coarse quantification, a calibration based on silicone oil was established, which delivered PDMS losses from 20 μg to \\textgreater100 μg during the 16-s period per measurement. Also, the extraction of baking molds in rapeseed oil demonstrated a PDMS release at the level of 1 μg mg-1. These findings indicate a potential health hazard from frequent or long-term use of such items. This work does not intend to blame certain brands of such articles. Nonetheless, a higher level of awareness of this source of daily silicone intake is suggested.\n
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\n \n\n \n \n \n \n \n \n Rapid screening of 35 new psychoactive substances by ion mobility spectrometry (IMS) and direct analysis in real time (DART) coupled to quadrupole time-of-flight mass spectrometry (QTOF-MS): Rapid screening of New psychoactive substances by IMS and DART-QTOF-MS.\n \n \n \n \n\n\n \n Gwak, S.; and Almirall, J. R.\n\n\n \n\n\n\n Drug Testing and Analysis, 7(10): 884–893. October 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{gwak_rapid_2015,\n\ttitle = {Rapid screening of 35 new psychoactive substances by ion mobility spectrometry ({IMS}) and direct analysis in real time ({DART}) coupled to quadrupole time-of-flight mass spectrometry ({QTOF}-{MS}): {Rapid} screening of {New} psychoactive substances by {IMS} and {DART}-{QTOF}-{MS}},\n\tvolume = {7},\n\tissn = {19427603},\n\tshorttitle = {Rapid screening of 35 new psychoactive substances by ion mobility spectrometry ({IMS}) and direct analysis in real time ({DART}) coupled to quadrupole time-of-flight mass spectrometry ({QTOF}-{MS})},\n\turl = {http://doi.wiley.com/10.1002/dta.1783},\n\tdoi = {10.1002/dta.1783},\n\tabstract = {The recent propagation of new psychoactive substances (NPS) has led to the development of new techniques for the rapid characterization of controlled substances in this category. A commercial bench-top ion mobility spectrometer (IMS) with a 63Ni ionization source and a direct analysis in real time (DART) coupled to quadrupole time-of-flight (QTOF) were used for the rapid characterization of 35 NPS. The advantages of these techniques are fast response, ease of operation, and minimal sample preparation. The characteristic reduced mobilities of each substance are reported as are the mass spectra of the 35 compounds. The acquired product ion scan mass spectra were also compared to a library database constructed by QTOF with a electrospray ionization (ESI) source and showed a consistent relative abundance for each peak over time. A total of four seized drug samples provided by the local forensic laboratory were analyzed in order to demonstrate the utility of this approach. The results of this study suggest that both IMS and DART-QTOF are promising alternatives for the rapid screening and characterization of these new psychoactive substances.},\n\tlanguage = {en},\n\tnumber = {10},\n\turldate = {2016-01-28},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Gwak, Seongshin and Almirall, Jose R.},\n\tmonth = oct,\n\tyear = {2015},\n\tpages = {884--893},\n}\n\n\n\n
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\n The recent propagation of new psychoactive substances (NPS) has led to the development of new techniques for the rapid characterization of controlled substances in this category. A commercial bench-top ion mobility spectrometer (IMS) with a 63Ni ionization source and a direct analysis in real time (DART) coupled to quadrupole time-of-flight (QTOF) were used for the rapid characterization of 35 NPS. The advantages of these techniques are fast response, ease of operation, and minimal sample preparation. The characteristic reduced mobilities of each substance are reported as are the mass spectra of the 35 compounds. The acquired product ion scan mass spectra were also compared to a library database constructed by QTOF with a electrospray ionization (ESI) source and showed a consistent relative abundance for each peak over time. A total of four seized drug samples provided by the local forensic laboratory were analyzed in order to demonstrate the utility of this approach. The results of this study suggest that both IMS and DART-QTOF are promising alternatives for the rapid screening and characterization of these new psychoactive substances.\n
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\n \n\n \n \n \n \n \n \n Rapid screening and distribution of bioactive compounds in different parts of Berberis petiolaris using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Singh, A.; Bajpai, V.; Srivastava, M.; Arya, K. R.; and Kumar, B.\n\n\n \n\n\n\n Journal of Pharmaceutical Analysis, 5(5): 332–335. October 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{singh_rapid_2015,\n\ttitle = {Rapid screening and distribution of bioactive compounds in different parts of {Berberis} petiolaris using direct analysis in real time mass spectrometry},\n\tvolume = {5},\n\tissn = {20951779},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S2095177915000520},\n\tdoi = {10.1016/j.jpha.2015.05.002},\n\tabstract = {Berberis petiolaris Wall. ex G. Don, an unexplored medicinal plant belonging to the family Berberidaceae, is a large deciduous shrub found in Western Himalaya between 1800–3000 m. Chemical profiling of fruit, leaf, root and stem was done by direct analysis in real time mass spectrometry followed by multivariate analysis for discrimination among the plant parts. The bioactive compounds, including magnoflorine, berberine, jatrorrhizine, thalifendine/berberrubine, demethyleneberberine, reticuline, 8-oxoberberine, N-methyltetrahydroberberine, tetrahydropalmatine, tetrahydroberberine and palmatine, were identified by their exact mass measurement and the corresponding molecular formula of each compound. A comparative study of distribution pattern for all these bioactive alkaloids showed qualitative and quantitative variations in different parts of B. petiolaris. Principal component analysis clearly discriminated each part of B. petiolaris plant.},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Pharmaceutical Analysis},\n\tauthor = {Singh, Awantika and Bajpai, Vikas and Srivastava, Mukesh and Arya, Kamal Ram and Kumar, Brijesh},\n\tmonth = oct,\n\tyear = {2015},\n\tpages = {332--335},\n}\n\n\n\n
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\n Berberis petiolaris Wall. ex G. Don, an unexplored medicinal plant belonging to the family Berberidaceae, is a large deciduous shrub found in Western Himalaya between 1800–3000 m. Chemical profiling of fruit, leaf, root and stem was done by direct analysis in real time mass spectrometry followed by multivariate analysis for discrimination among the plant parts. The bioactive compounds, including magnoflorine, berberine, jatrorrhizine, thalifendine/berberrubine, demethyleneberberine, reticuline, 8-oxoberberine, N-methyltetrahydroberberine, tetrahydropalmatine, tetrahydroberberine and palmatine, were identified by their exact mass measurement and the corresponding molecular formula of each compound. A comparative study of distribution pattern for all these bioactive alkaloids showed qualitative and quantitative variations in different parts of B. petiolaris. Principal component analysis clearly discriminated each part of B. petiolaris plant.\n
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\n \n\n \n \n \n \n \n \n Schlieren visualization of fluid dynamics effects in direct analysis in real time mass spectrometry: Schlieren DART-MS.\n \n \n \n \n\n\n \n Curtis, M.; Keelor, J. D.; Jones, C. M.; Pittman, J. J.; Jones, P. R.; Sparkman, O. D.; and Fernández, F. M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(5): 431–439. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"SchlierenPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{curtis_schlieren_2015,\n\ttitle = {Schlieren visualization of fluid dynamics effects in direct analysis in real time mass spectrometry: {Schlieren} {DART}-{MS}},\n\tvolume = {29},\n\tissn = {09514198},\n\tshorttitle = {Schlieren visualization of fluid dynamics effects in direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7119},\n\tdoi = {10.1002/rcm.7119},\n\tabstract = {Rationale The success of ambient analysis using plasma-based ion sources depends heavily on fluid dynamics and mass transport efficiency in the sample region. To help characterize the influence of these determining factors, visualization of the gas flow profile for a Direct Analysis in Real Time (DART) ion source at the mass spectrometer atmospheric pressure (AP) interface was performed using the Schlieren technique. Methods The DART helium flow pattern was imaged in model systems incorporating different interface designs, i.e. skimmer or capillary inlet, and for sampling strategies using several types of traditional DART sample probes including a glass capillary, swab, and drug tablet. Notably, Schlieren experiments were conducted on instruments equipped with the gas-ion separator tube (GIST) adapter and Vapur® pump, and on setups featuring the transmission mode (TM) DART module used in standard practice. Results DART sources were seen to expel a collimated, highly laminar helium stream across interface distances up to {\\textasciitilde}8 cm. The helium stream was robust to the influence of gas temperature (50-500 C) and flow rate (≤3.5 Lmin-1), but considerable DART gas deflection or full disruption was observed in each sampling scenario. The severity of the flow disturbance depended on probe size and placement, the GIST/Vapur® settings, or counter-current gas movements present at the interface. Conclusions The real-time Schlieren visualizations introduced in this work provide new insight on the fluid dynamics within the DART-MS sample gap while also helping to identify those experimental parameters requiring optimization for improved transmission.},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-01-28},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Curtis, Matthew and Keelor, Joel D. and Jones, Christina M. and Pittman, Jennifer J. and Jones, Patrick R. and Sparkman, O. David and Fernández, Facundo M.},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {431--439},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Rationale The success of ambient analysis using plasma-based ion sources depends heavily on fluid dynamics and mass transport efficiency in the sample region. To help characterize the influence of these determining factors, visualization of the gas flow profile for a Direct Analysis in Real Time (DART) ion source at the mass spectrometer atmospheric pressure (AP) interface was performed using the Schlieren technique. Methods The DART helium flow pattern was imaged in model systems incorporating different interface designs, i.e. skimmer or capillary inlet, and for sampling strategies using several types of traditional DART sample probes including a glass capillary, swab, and drug tablet. Notably, Schlieren experiments were conducted on instruments equipped with the gas-ion separator tube (GIST) adapter and Vapur® pump, and on setups featuring the transmission mode (TM) DART module used in standard practice. Results DART sources were seen to expel a collimated, highly laminar helium stream across interface distances up to ~8 cm. The helium stream was robust to the influence of gas temperature (50-500 C) and flow rate (≤3.5 Lmin-1), but considerable DART gas deflection or full disruption was observed in each sampling scenario. The severity of the flow disturbance depended on probe size and placement, the GIST/Vapur® settings, or counter-current gas movements present at the interface. Conclusions The real-time Schlieren visualizations introduced in this work provide new insight on the fluid dynamics within the DART-MS sample gap while also helping to identify those experimental parameters requiring optimization for improved transmission.\n
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\n \n\n \n \n \n \n \n \n A High Throughput Ambient Mass Spectrometric Approach to Species Identification and Classification from Chemical Fingerprint Signatures.\n \n \n \n \n\n\n \n Musah, R. A.; Espinoza, E. O.; Cody, R. B.; Lesiak, A. D.; Christensen, E. D.; Moore, H. E.; Maleknia, S.; and Drijfhout, F. P.\n\n\n \n\n\n\n Scientific Reports, 5: 11520. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{musah_high_2015,\n\ttitle = {A {High} {Throughput} {Ambient} {Mass} {Spectrometric} {Approach} to {Species} {Identification} and {Classification} from {Chemical} {Fingerprint} {Signatures}},\n\tvolume = {5},\n\tissn = {2045-2322},\n\turl = {http://www.nature.com/articles/srep11520},\n\tdoi = {10.1038/srep11520},\n\tabstract = {A high throughput method for species identification and classification through chemometric processing of direct analysis in real time (DART) mass spectrometry-derived fingerprint signatures has been developed. The method entails introduction of samples to the open air space between the DART ion source and the mass spectrometer inlet, with the entire observed mass spectral fingerprint subjected to unsupervised hierarchical clustering processing. A range of both polar and non-polar chemotypes are instantaneously detected. The result is identification and species level classification based on the entire DART-MS spectrum. Here, we illustrate how the method can be used to: (1) distinguish between endangered woods regulated by the Convention for the International Trade of Endangered Flora and Fauna (CITES) treaty; (2) assess the origin and by extension the properties of biodiesel feedstocks; (3) determine insect species from analysis of puparial casings; (4) distinguish between psychoactive plants products; and (5) differentiate between Eucalyptus species. An advantage of the hierarchical clustering approach to processing of the DART-MS derived fingerprint is that it shows both similarities and differences between species based on their chemotypes. Furthermore, full knowledge of the identities of the constituents contained within the small molecule profile of analyzed samples is not required.},\n\turldate = {2016-01-28},\n\tjournal = {Scientific Reports},\n\tauthor = {Musah, Rabi A. and Espinoza, Edgard O. and Cody, Robert B. and Lesiak, Ashton D. and Christensen, Earl D. and Moore, Hannah E. and Maleknia, Simin and Drijfhout, Falko P.},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {11520},\n}\n\n\n\n
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\n A high throughput method for species identification and classification through chemometric processing of direct analysis in real time (DART) mass spectrometry-derived fingerprint signatures has been developed. The method entails introduction of samples to the open air space between the DART ion source and the mass spectrometer inlet, with the entire observed mass spectral fingerprint subjected to unsupervised hierarchical clustering processing. A range of both polar and non-polar chemotypes are instantaneously detected. The result is identification and species level classification based on the entire DART-MS spectrum. Here, we illustrate how the method can be used to: (1) distinguish between endangered woods regulated by the Convention for the International Trade of Endangered Flora and Fauna (CITES) treaty; (2) assess the origin and by extension the properties of biodiesel feedstocks; (3) determine insect species from analysis of puparial casings; (4) distinguish between psychoactive plants products; and (5) differentiate between Eucalyptus species. An advantage of the hierarchical clustering approach to processing of the DART-MS derived fingerprint is that it shows both similarities and differences between species based on their chemotypes. Furthermore, full knowledge of the identities of the constituents contained within the small molecule profile of analyzed samples is not required.\n
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\n \n\n \n \n \n \n \n \n Differentiation of Disaccharide Isomers by Temperature-Dependent In-Source Decay (TDISD) and DART-Q-TOF MS/MS.\n \n \n \n \n\n\n \n Yang, H.; Shi, L.; Yao, W.; Wang, Y.; Huang, L.; Wan, D.; and Liu, S.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 26(9): 1599–1605. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DifferentiationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{yang_differentiation_2015,\n\ttitle = {Differentiation of {Disaccharide} {Isomers} by {Temperature}-{Dependent} {In}-{Source} {Decay} ({TDISD}) and {DART}-{Q}-{TOF} {MS}/{MS}},\n\tvolume = {26},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-015-1192-0},\n\tdoi = {10.1007/s13361-015-1192-0},\n\tabstract = {Helium direct analysis in real time (He-DART) mass spectrometry (MS) of some compounds, polysaccharides, for example, usually tends to be challenging because of the occurrence of prominent in-source decay (ISD), which was considered as an undesired side reaction, as it complicated the resulting mass spectra. Our approach is to take advantage of an efficient and practical method termed the temperature-dependent ISD (TDISD) technique combined with fragmentation of the dehydrated dimers using DART Q-TOF tandem mass spectrometry for differentiation of disaccharide isomers. In this study, cross-ring cleavages and non-ovalent complexes were detected in the spectra of the saccharides. It was observed that the gas heater temperature had a significant effect on the absence or presence of signal in DART spectra. At high gas temperature, ions in high mass region began to appear. Based on the types of cross-ring cleavages and noncovalent complexes, disaccharide isomers with different linkage positions can be differentiated in both positive and negative ion modes at a lower DART gas temperature. Additionally, anomeric configurations were assigned on the basis of the relative abundance ratio of m/z 198:342 obtained by the comparison of the positive ion mode tandem mass spectrum of an α isomer dimer generated at higher DART gas temperature and that of the corresponding β one. In general, this method is easy, fast, effective, and robust for identifying disaccharide isomers.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-29},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Yang, Hongmei and Shi, Lei and Yao, Wenbin and Wang, Yang and Huang, Liang and Wan, Debin and Liu, Shuying},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {1599--1605},\n}\n\n\n\n
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\n Helium direct analysis in real time (He-DART) mass spectrometry (MS) of some compounds, polysaccharides, for example, usually tends to be challenging because of the occurrence of prominent in-source decay (ISD), which was considered as an undesired side reaction, as it complicated the resulting mass spectra. Our approach is to take advantage of an efficient and practical method termed the temperature-dependent ISD (TDISD) technique combined with fragmentation of the dehydrated dimers using DART Q-TOF tandem mass spectrometry for differentiation of disaccharide isomers. In this study, cross-ring cleavages and non-ovalent complexes were detected in the spectra of the saccharides. It was observed that the gas heater temperature had a significant effect on the absence or presence of signal in DART spectra. At high gas temperature, ions in high mass region began to appear. Based on the types of cross-ring cleavages and noncovalent complexes, disaccharide isomers with different linkage positions can be differentiated in both positive and negative ion modes at a lower DART gas temperature. Additionally, anomeric configurations were assigned on the basis of the relative abundance ratio of m/z 198:342 obtained by the comparison of the positive ion mode tandem mass spectrum of an α isomer dimer generated at higher DART gas temperature and that of the corresponding β one. In general, this method is easy, fast, effective, and robust for identifying disaccharide isomers.\n
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\n \n\n \n \n \n \n \n \n Mechanism and application of halogen bond induced fluorescence enhancement and iodine molecule cleavage in solution.\n \n \n \n \n\n\n \n Zou, W.; Lin, S.; Li, J.; Wei, H.; Zhang, X.; Shen, D.; Qiao, J.; Lian, H.; Xie, D.; and Ge, X.\n\n\n \n\n\n\n New J. Chem., 39(1): 262–272. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"MechanismPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{zou_mechanism_2015,\n\ttitle = {Mechanism and application of halogen bond induced fluorescence enhancement and iodine molecule cleavage in solution},\n\tvolume = {39},\n\tissn = {1144-0546, 1369-9261},\n\turl = {http://xlink.rsc.org/?DOI=C4NJ01396D},\n\tdoi = {10.1039/C4NJ01396D},\n\tabstract = {In this paper, a strong halogen bond (XB) donor (iodine) and photoinduced electron transfer (PET) molecule (ciprofloxacin, Cip) were selected with the objective to investigate halogen bonding under weakly alkaline conditions. A series of experimental characterization techniques was employed to elucidate the interaction mechanism of the XB, in combination with theoretical calculations. It is found that new UV-Vis absorption peaks and the fluorescence enhancement with the mixing of Cip and iodine are attributed to the disruption of the PET charge separation process through the halogen bonding interaction. The 2:1 stoichiometry of the XB complex (I2:Cip) was attested using a modified Benesi-Hildebrand method. 1H NMR spectra showed that the iodine molecule can interact with three nitrogen atoms of Cip to form three XBs. FT-IR spectra indicated that the nitrogen atom of the imino group is the preferential interaction site of the XB. Notably, direct analysis in real time-mass spectrometry (DART-MS) gave a distinct quasi-molecular ion of the supramolecular complex (Cip + I) in solution. Meanwhile, density functional theory (DFT), taking into account the dispersion energy, revealed that the formation of an I⋯N XB not only disrupts the PET charge separation process of Cip to enhance fluorescence but also induces the cleavage of an iodine molecule (I-I) to produce a triiodine anion (I3 -) XB. This explained why I3 - was observed in UV-Vis and DART-MS as well as in the crystal, and how the fourth iodine atom involved in the self-assembly of the XB existed stably. Moreover, a developed optosensor based on halogen bonding has been successfully used to analyze commercial Cip·HCl capsules, suggesting the potential applicability of halogen bonding in real pharmaceutical analyses.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {New J. Chem.},\n\tauthor = {Zou, Wen-Sheng and Lin, Sen and Li, Jia-Yuan and Wei, Hong-Qing and Zhang, Xiao-Qin and Shen, Dong-Xu and Qiao, Jun-Qin and Lian, Hong-Zhen and Xie, Dai-Qian and Ge, Xin},\n\tyear = {2015},\n\tpages = {262--272},\n}\n\n\n\n
\n
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\n In this paper, a strong halogen bond (XB) donor (iodine) and photoinduced electron transfer (PET) molecule (ciprofloxacin, Cip) were selected with the objective to investigate halogen bonding under weakly alkaline conditions. A series of experimental characterization techniques was employed to elucidate the interaction mechanism of the XB, in combination with theoretical calculations. It is found that new UV-Vis absorption peaks and the fluorescence enhancement with the mixing of Cip and iodine are attributed to the disruption of the PET charge separation process through the halogen bonding interaction. The 2:1 stoichiometry of the XB complex (I2:Cip) was attested using a modified Benesi-Hildebrand method. 1H NMR spectra showed that the iodine molecule can interact with three nitrogen atoms of Cip to form three XBs. FT-IR spectra indicated that the nitrogen atom of the imino group is the preferential interaction site of the XB. Notably, direct analysis in real time-mass spectrometry (DART-MS) gave a distinct quasi-molecular ion of the supramolecular complex (Cip + I) in solution. Meanwhile, density functional theory (DFT), taking into account the dispersion energy, revealed that the formation of an I⋯N XB not only disrupts the PET charge separation process of Cip to enhance fluorescence but also induces the cleavage of an iodine molecule (I-I) to produce a triiodine anion (I3 -) XB. This explained why I3 - was observed in UV-Vis and DART-MS as well as in the crystal, and how the fourth iodine atom involved in the self-assembly of the XB existed stably. Moreover, a developed optosensor based on halogen bonding has been successfully used to analyze commercial Cip·HCl capsules, suggesting the potential applicability of halogen bonding in real pharmaceutical analyses.\n
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\n \n\n \n \n \n \n \n \n Using non-targeted direct analysis in real time-mass spectrometry (DART-MS) to discriminate seeds based on endogenous or exogenous chemicals.\n \n \n \n \n\n\n \n Subbaraj, A. K.; Barrett, B. A.; Wakelin, S. A.; and Fraser, K.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 407(26): 8047–8058. October 2015.\n \n\n\n\n
\n\n\n\n \n \n \"UsingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{subbaraj_using_2015,\n\ttitle = {Using non-targeted direct analysis in real time-mass spectrometry ({DART}-{MS}) to discriminate seeds based on endogenous or exogenous chemicals},\n\tvolume = {407},\n\tissn = {1618-2642, 1618-2650},\n\turl = {http://link.springer.com/10.1007/s00216-015-8977-7},\n\tdoi = {10.1007/s00216-015-8977-7},\n\tabstract = {Forage seeds are a highly traded agricultural commodity, and therefore, quality control and assurance is high priority. In this study, we have used direct analysis in real time-mass spectrometry (DART-MS) as a tool to discriminate forage seeds based on their non-targeted chemical profiles. In the first experiment, two lots of perennial ryegrass (Lolium perenne L.) seed were discriminated based on exogenous residues of N-(3, 4-dichlorophenyl)-N,N-dimethylurea (DiuronTM), a herbicide. In a separate experiment, washed and unwashed seeds of the forage legumes white clover (Trifolium repens L.) and alfalfa (Medicago sativa L.) were discriminated based on the presence or absence of oxylipins, a class of endogenous antimicrobial compounds. Unwashed seeds confer toxicity towards symbiotic, nitrogen-fixing rhizobia which are routinely coated on legume seeds before planting, resulting in reduced rhizobial count. This is the first report of automatic introduction of intact seeds in the DART ion source and detecting oxylipins using DART-MS. Apart from providing scope to investigate legume-rhizobia symbiosis further in the context of oxylipins, the results presented here will enable future studies aimed at classification of seeds based on chemicals bound to the seed coat, thereby offering an efficient screening device for industry.},\n\tlanguage = {en},\n\tnumber = {26},\n\turldate = {2016-01-29},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Subbaraj, Arvind K. and Barrett, Brent A. and Wakelin, Steve A. and Fraser, Karl},\n\tmonth = oct,\n\tyear = {2015},\n\tpages = {8047--8058},\n}\n\n\n\n
\n
\n\n\n
\n Forage seeds are a highly traded agricultural commodity, and therefore, quality control and assurance is high priority. In this study, we have used direct analysis in real time-mass spectrometry (DART-MS) as a tool to discriminate forage seeds based on their non-targeted chemical profiles. In the first experiment, two lots of perennial ryegrass (Lolium perenne L.) seed were discriminated based on exogenous residues of N-(3, 4-dichlorophenyl)-N,N-dimethylurea (DiuronTM), a herbicide. In a separate experiment, washed and unwashed seeds of the forage legumes white clover (Trifolium repens L.) and alfalfa (Medicago sativa L.) were discriminated based on the presence or absence of oxylipins, a class of endogenous antimicrobial compounds. Unwashed seeds confer toxicity towards symbiotic, nitrogen-fixing rhizobia which are routinely coated on legume seeds before planting, resulting in reduced rhizobial count. This is the first report of automatic introduction of intact seeds in the DART ion source and detecting oxylipins using DART-MS. Apart from providing scope to investigate legume-rhizobia symbiosis further in the context of oxylipins, the results presented here will enable future studies aimed at classification of seeds based on chemicals bound to the seed coat, thereby offering an efficient screening device for industry.\n
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\n \n\n \n \n \n \n \n \n Rapid detection of sugar alcohol precursors and corresponding nitrate ester explosives using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Sisco, E.; and Forbes, T. P.\n\n\n \n\n\n\n The Analyst, 140(8): 2785–2796. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sisco_rapid_2015,\n\ttitle = {Rapid detection of sugar alcohol precursors and corresponding nitrate ester explosives using direct analysis in real time mass spectrometry},\n\tvolume = {140},\n\tissn = {0003-2654, 1364-5528},\n\turl = {http://xlink.rsc.org/?DOI=C4AN02347A},\n\tdoi = {10.1039/C4AN02347A},\n\tabstract = {This work highlights the rapid detection of nitrate ester explosives and their sugar alcohol precursors by direct analysis in real time mass spectrometry (DART-MS) using an off-axis geometry. Demonstration of the effect of various parameters, such as ion polarity and in-source collision induced dissociation (CID) on the detection of these compounds is presented. Sensitivity of sugar alcohols and nitrate ester explosives was found to be greatest in negative ion mode with sensitivities ranging from hundreds of picograms to hundreds of nanograms, depending on the characteristics of the particular molecule. Altering the in-source CID potential allowed for acquisition of characteristic molecular ion spectra as well as fragmentation spectra. Additional studies were completed to identify the role of different experimental parameters on the sensitivity for these compounds. Variables that were examined included the DART gas stream temperature, the presence of a related compound (i.e., the effect of a precursor on the detection of a nitrate ester explosive), incorporation of dopant species and the role of the analysis surface. It was determined that each variable affected the response and detection of both sugar alcohols and the corresponding nitrate ester explosives. From this work, a rapid and sensitive method for the detection of individual sugar alcohols and corresponding nitrate ester explosives, or mixtures of the two, has been developed, providing a useful tool in the real-world identification of homemade explosives.},\n\tlanguage = {en},\n\tnumber = {8},\n\turldate = {2016-01-29},\n\tjournal = {The Analyst},\n\tauthor = {Sisco, Edward and Forbes, Thomas P.},\n\tyear = {2015},\n\tpages = {2785--2796},\n}\n\n\n\n
\n
\n\n\n
\n This work highlights the rapid detection of nitrate ester explosives and their sugar alcohol precursors by direct analysis in real time mass spectrometry (DART-MS) using an off-axis geometry. Demonstration of the effect of various parameters, such as ion polarity and in-source collision induced dissociation (CID) on the detection of these compounds is presented. Sensitivity of sugar alcohols and nitrate ester explosives was found to be greatest in negative ion mode with sensitivities ranging from hundreds of picograms to hundreds of nanograms, depending on the characteristics of the particular molecule. Altering the in-source CID potential allowed for acquisition of characteristic molecular ion spectra as well as fragmentation spectra. Additional studies were completed to identify the role of different experimental parameters on the sensitivity for these compounds. Variables that were examined included the DART gas stream temperature, the presence of a related compound (i.e., the effect of a precursor on the detection of a nitrate ester explosive), incorporation of dopant species and the role of the analysis surface. It was determined that each variable affected the response and detection of both sugar alcohols and the corresponding nitrate ester explosives. From this work, a rapid and sensitive method for the detection of individual sugar alcohols and corresponding nitrate ester explosives, or mixtures of the two, has been developed, providing a useful tool in the real-world identification of homemade explosives.\n
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\n \n\n \n \n \n \n \n \n Sensitivity and intensity enhancement in open air mass spectrometry assisted with a continuous wave infrared laser.\n \n \n \n \n\n\n \n Lu, Y.; Zhou, Y. S.; Qiu, W.; Huang, X.; Gao, Y.; Liu, L.; Lei, Y. T.; Zhang, T. C.; Jiang, L.; Silvain, J. F.; and Lu, Y. F.\n\n\n \n\n\n\n J. Anal. At. Spectrom., 30(7): 1663–1667. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"SensitivityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lu_sensitivity_2015,\n\ttitle = {Sensitivity and intensity enhancement in open air mass spectrometry assisted with a continuous wave infrared laser},\n\tvolume = {30},\n\tissn = {0267-9477, 1364-5544},\n\turl = {http://xlink.rsc.org/?DOI=C5JA00084J},\n\tdoi = {10.1039/C5JA00084J},\n\tabstract = {To improve signal-to-noise ratios (SNRs) in open air mass spectrometry, a laser-assisted, direct-analysis-in-real-time (DART) mass spectrometer (LA-DART-MS) was developed by integrating a continuous wave (CW) infrared (IR) laser into an open air DART-MS. The CW IR laser (wavelength of 1070 nm) was used to assist the desorption of analytes and promote the reactivity of protonated water from the DART ion source. Using the LA-DART-MS, SNRs of Rhodamine 6G (R6G), urea, and testosterone were enhanced by factors of 31, 11, and 4, respectively, compared with the conventional DART-MS. The sensitivity enhancement was ascribed to the increased analyte concentration in air and activated protonated water induced by the IR laser irradiation.},\n\tlanguage = {en},\n\tnumber = {7},\n\turldate = {2016-01-28},\n\tjournal = {J. Anal. At. Spectrom.},\n\tauthor = {Lu, Y. and Zhou, Y. S. and Qiu, W. and Huang, X. and Gao, Y. and Liu, L. and Lei, Y. T. and Zhang, T. C. and Jiang, L. and Silvain, J. F. and Lu, Y. F.},\n\tyear = {2015},\n\tpages = {1663--1667},\n}\n\n\n\n
\n
\n\n\n
\n To improve signal-to-noise ratios (SNRs) in open air mass spectrometry, a laser-assisted, direct-analysis-in-real-time (DART) mass spectrometer (LA-DART-MS) was developed by integrating a continuous wave (CW) infrared (IR) laser into an open air DART-MS. The CW IR laser (wavelength of 1070 nm) was used to assist the desorption of analytes and promote the reactivity of protonated water from the DART ion source. Using the LA-DART-MS, SNRs of Rhodamine 6G (R6G), urea, and testosterone were enhanced by factors of 31, 11, and 4, respectively, compared with the conventional DART-MS. The sensitivity enhancement was ascribed to the increased analyte concentration in air and activated protonated water induced by the IR laser irradiation.\n
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\n \n\n \n \n \n \n \n \n Aerogel dust collection for in situ mass spectrometry analysis.\n \n \n \n \n\n\n \n Jones, S.; Anderson, M.; Davies, A.; Kirby, J.; Burchell, M.; and Cole, M.\n\n\n \n\n\n\n Icarus, 247: 71–76. February 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AerogelPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jones_aerogel_2015,\n\ttitle = {Aerogel dust collection for in situ mass spectrometry analysis},\n\tvolume = {247},\n\tissn = {00191035},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0019103514005223},\n\tdoi = {10.1016/j.icarus.2014.09.047},\n\tabstract = {The current technique for conducting in situ mass spectroscopic analysis of dust around extraterrestrial bodies is to have the dust impact a solid plate and analyze the atoms and molecular fragments resulting from the high speed impact. Due to the fact that the kinetic energy from the impact is converted primarily to thermal energy, much of the organic compounds present in the dust may be significantly altered or destroyed. To avoid this problem, aerogel could be used to capture the dust grains, largely intact, maintaining the integrity of the organic compounds in the interior of the dust grains. To demonstrate that organic molecules, present as minor components of silica particles, would survive hypervelocity capture in aerogel and can then be analyzed with mass spectrometry, several light gas gun impact tests and analyses were conducted. Fine particles containing polycyclic aromatic hydrocarbons (PAHs) were captured in aerogel at 5.5kms-1. The flow of metastable helium from a Direct Analysis Real Time (DART) source was used to desorb and ionize the organics, which were then analyzed with a mass spectrometer. The PAHs were detected and identified by the DART-MS, demonstrating that this method could be used on future flight instruments.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Icarus},\n\tauthor = {Jones, S.M. and Anderson, M.S. and Davies, A.G. and Kirby, J.P. and Burchell, M.J. and Cole, M.J.},\n\tmonth = feb,\n\tyear = {2015},\n\tpages = {71--76},\n}\n\n\n\n
\n
\n\n\n
\n The current technique for conducting in situ mass spectroscopic analysis of dust around extraterrestrial bodies is to have the dust impact a solid plate and analyze the atoms and molecular fragments resulting from the high speed impact. Due to the fact that the kinetic energy from the impact is converted primarily to thermal energy, much of the organic compounds present in the dust may be significantly altered or destroyed. To avoid this problem, aerogel could be used to capture the dust grains, largely intact, maintaining the integrity of the organic compounds in the interior of the dust grains. To demonstrate that organic molecules, present as minor components of silica particles, would survive hypervelocity capture in aerogel and can then be analyzed with mass spectrometry, several light gas gun impact tests and analyses were conducted. Fine particles containing polycyclic aromatic hydrocarbons (PAHs) were captured in aerogel at 5.5kms-1. The flow of metastable helium from a Direct Analysis Real Time (DART) source was used to desorb and ionize the organics, which were then analyzed with a mass spectrometer. The PAHs were detected and identified by the DART-MS, demonstrating that this method could be used on future flight instruments.\n
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\n \n\n \n \n \n \n \n \n Quantitative surface scanning by Direct Analysis in Real Time mass spectrometry: Quantitative surface scanning by DART-MS.\n \n \n \n \n\n\n \n Häbe, T. T.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(6): 474–484. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{habe_quantitative_2015,\n\ttitle = {Quantitative surface scanning by {Direct} {Analysis} in {Real} {Time} mass spectrometry: {Quantitative} surface scanning by {DART}-{MS}},\n\tvolume = {29},\n\tissn = {09514198},\n\tshorttitle = {Quantitative surface scanning by {Direct} {Analysis} in {Real} {Time} mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7127},\n\tdoi = {10.1002/rcm.7127},\n\tabstract = {RATIONALE Only a few ambient ionization sources have been demonstrated to work quantitatively for surface scanning. A modification of the Direct Analysis in Real Time mass spectrometry (DART-MS) interface is needed to improve the precision during the scanning of a high-performance thin-layer chromatography (HPTLC) plate or any other surface or planar substrate, especially for quantitation without an internal standard correction. METHODS The substrate movement relative to the ion source outlet and the mass spectrometer inlet was optimized to improve the desorption, ionization, and capture of analytes. The substrate carrier was mounted at an angled position, thus reducing collisions between the deflected gas stream and the inner transfer tube wall. A special transfer tube, whose edge was angled towards the substrate and allowed a narrow set-up of the ambient air gap, captured the deflected DART gas stream. RESULTS For the repeated DART-MS scanning along five identical deposited bands of butyl-4-hydroxybenzoate a mean precision of 2.7\\% was obtained. A signal decay of 62\\% was observed after five scans. After HPTLC of methyl-4-hydroxybenzoate and butyl-4-hydroxybenzoate, mean determination coefficients of 0.9937 and 0.9906 were obtained for five calibrations on five plates, respectively. The mean recovery of two control standards was 94\\% with a mean repeatability of 9\\% (\\%RSD, n = 5) obtained on five different plates. CONCLUSIONS The DART SVPA-3DS system remained compact and the access to the substrate was kept wide open despite the optimized scan lane (spatial resolution at full width at half maximum 0.8 mm, height 3 mm). The performance data showed that the quantitative surface scanning was improved as well as the desorption efficacy and detectability using this modified DART-MS interface.},\n\tlanguage = {en},\n\tnumber = {6},\n\turldate = {2016-01-28},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Häbe, Tim T. and Morlock, Gertrud E.},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {474--484},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n RATIONALE Only a few ambient ionization sources have been demonstrated to work quantitatively for surface scanning. A modification of the Direct Analysis in Real Time mass spectrometry (DART-MS) interface is needed to improve the precision during the scanning of a high-performance thin-layer chromatography (HPTLC) plate or any other surface or planar substrate, especially for quantitation without an internal standard correction. METHODS The substrate movement relative to the ion source outlet and the mass spectrometer inlet was optimized to improve the desorption, ionization, and capture of analytes. The substrate carrier was mounted at an angled position, thus reducing collisions between the deflected gas stream and the inner transfer tube wall. A special transfer tube, whose edge was angled towards the substrate and allowed a narrow set-up of the ambient air gap, captured the deflected DART gas stream. RESULTS For the repeated DART-MS scanning along five identical deposited bands of butyl-4-hydroxybenzoate a mean precision of 2.7% was obtained. A signal decay of 62% was observed after five scans. After HPTLC of methyl-4-hydroxybenzoate and butyl-4-hydroxybenzoate, mean determination coefficients of 0.9937 and 0.9906 were obtained for five calibrations on five plates, respectively. The mean recovery of two control standards was 94% with a mean repeatability of 9% (%RSD, n = 5) obtained on five different plates. CONCLUSIONS The DART SVPA-3DS system remained compact and the access to the substrate was kept wide open despite the optimized scan lane (spatial resolution at full width at half maximum 0.8 mm, height 3 mm). The performance data showed that the quantitative surface scanning was improved as well as the desorption efficacy and detectability using this modified DART-MS interface.\n
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\n \n\n \n \n \n \n \n \n Rapid analysis of four Sudan dyes using direct analysis in real time-mass spectrometry.\n \n \n \n \n\n\n \n Li, Z.; Zhang, Y.; Zhang, Y.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Anal. Methods, 7(1): 86–90. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_rapid_2015,\n\ttitle = {Rapid analysis of four {Sudan} dyes using direct analysis in real time-mass spectrometry},\n\tvolume = {7},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C4AY02409E},\n\tdoi = {10.1039/C4AY02409E},\n\tabstract = {A simple direct analysis in a real time-mass spectrometry (DART-MS) method was developed for the rapid determination of four Sudan dyes (I-IV) in chili powder. Simple liquid extraction by hexane without further clean-up was used for sample preparation. DART parameters were systematically optimized to achieve the best detection performance. A DIP-it sampler was used for automatic sampling. The matrix effect was measured by comparing the limit of detection (LOD) in matrix solution with that in pure organic solution. Eventually, the identification of the Sudan dyes was confirmed by MS/MS results and the LODs for four analytes in matrix solution were ∼0.5 μg mL-1. The method showed good linearity with correlation coefficients (R2) greater than 0.99 for concentrations ranging from 1 to 20 μg mL-1. The whole analytical process could be completed within 15 minutes with good recoveries (88-116\\%) and satisfactory repeatability ({\\textless}26\\%, n = 3).},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Anal. Methods},\n\tauthor = {Li, Ze and Zhang, Yi-Wei and Zhang, Yi-Ding and Bai, Yu and Liu, Hu-Wei},\n\tyear = {2015},\n\tpages = {86--90},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n A simple direct analysis in a real time-mass spectrometry (DART-MS) method was developed for the rapid determination of four Sudan dyes (I-IV) in chili powder. Simple liquid extraction by hexane without further clean-up was used for sample preparation. DART parameters were systematically optimized to achieve the best detection performance. A DIP-it sampler was used for automatic sampling. The matrix effect was measured by comparing the limit of detection (LOD) in matrix solution with that in pure organic solution. Eventually, the identification of the Sudan dyes was confirmed by MS/MS results and the LODs for four analytes in matrix solution were ∼0.5 μg mL-1. The method showed good linearity with correlation coefficients (R2) greater than 0.99 for concentrations ranging from 1 to 20 μg mL-1. The whole analytical process could be completed within 15 minutes with good recoveries (88-116%) and satisfactory repeatability (\\textless26%, n = 3).\n
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\n \n\n \n \n \n \n \n \n In Situ Analysis for Herbal Pieces of Aconitum Plants by Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Zhou, F.; Zhu, H.; Liu, S.; Ma, K.; Song, F.; and Liu, Z.\n\n\n \n\n\n\n Chinese Journal of Chemistry, 33(2): 241–246. February 2015.\n \n\n\n\n
\n\n\n\n \n \n \"InPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhou_situ_2015,\n\ttitle = {In {Situ} {Analysis} for {Herbal} {Pieces} of {Aconitum} {Plants} by {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {33},\n\tissn = {1001604X},\n\turl = {http://doi.wiley.com/10.1002/cjoc.201400692},\n\tdoi = {10.1002/cjoc.201400692},\n\tabstract = {In this study, an extend application was developed to in situ analyze the herbal pieces of Aconitum plants by Direct Analysis in Real Time Mass Spectrometry (DART-MS). Nearly all aconitine-type alkaloids can be desorbed and ionized in this method, including diester diterpenoid aconitines (DDAs), monoester diterpenoid aconitines (MDAs) and some other diterpenoid aconitines. The spectra of in situ analysis for the herbal pieces of aconitum plants are similar with that of their extracts. Radix Aconiti and Radix Aconiti Kusnezoffii can be distinguished from each other by the intensity differences of character fragment ions from MDAs, such as m/z 586, 572, and 556. The qualified and unqualified herbal pieces can be also identified by the relative abundances of DDAs. The RSD of the relative abundances of some character ions at m/z 556, 586, and 590 were 13.53\\%, 4.03\\%, and 12.03\\%, respectively. So this in situ analytical method can identify both the types of Aconitum preparata and their quality. It provides the following advantages in the analysis of Chinese herbs: fast detection without much pretreatment, high-throughput analysis, and reduction of pollution without any organic solvent.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-01-28},\n\tjournal = {Chinese Journal of Chemistry},\n\tauthor = {Zhou, Feng and Zhu, Hongbin and Liu, Shu and Ma, Kang and Song, Fengrui and Liu, Zhiqiang},\n\tmonth = feb,\n\tyear = {2015},\n\tpages = {241--246},\n}\n\n\n\n
\n
\n\n\n
\n In this study, an extend application was developed to in situ analyze the herbal pieces of Aconitum plants by Direct Analysis in Real Time Mass Spectrometry (DART-MS). Nearly all aconitine-type alkaloids can be desorbed and ionized in this method, including diester diterpenoid aconitines (DDAs), monoester diterpenoid aconitines (MDAs) and some other diterpenoid aconitines. The spectra of in situ analysis for the herbal pieces of aconitum plants are similar with that of their extracts. Radix Aconiti and Radix Aconiti Kusnezoffii can be distinguished from each other by the intensity differences of character fragment ions from MDAs, such as m/z 586, 572, and 556. The qualified and unqualified herbal pieces can be also identified by the relative abundances of DDAs. The RSD of the relative abundances of some character ions at m/z 556, 586, and 590 were 13.53%, 4.03%, and 12.03%, respectively. So this in situ analytical method can identify both the types of Aconitum preparata and their quality. It provides the following advantages in the analysis of Chinese herbs: fast detection without much pretreatment, high-throughput analysis, and reduction of pollution without any organic solvent.\n
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\n \n\n \n \n \n \n \n \n Simultaneous determination of 3-chlorotyrosine and 3-nitrotyrosine in human plasma by direct analysis in real time–tandem mass spectrometry.\n \n \n \n \n\n\n \n Song, Y.; Liao, J.; Zha, C.; Wang, B.; and Liu, C. C.\n\n\n \n\n\n\n Acta Pharmaceutica Sinica B, 5(5): 482–486. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"SimultaneousPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{song_simultaneous_2015,\n\ttitle = {Simultaneous determination of 3-chlorotyrosine and 3-nitrotyrosine in human plasma by direct analysis in real time–tandem mass spectrometry},\n\tvolume = {5},\n\tissn = {22113835},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S2211383515001082},\n\tdoi = {10.1016/j.apsb.2015.07.004},\n\tabstract = {A novel method for the simultaneous determination of 3-nitrotyrosine (NT) and 3-chlorotyrosine (CT) in human plasma has been developed based on direct analysis in real time-tandem mass spectrometry (DART-MS/MS). Analysis was performed in the positive ionization mode using multiple reaction monitoring (MRM) of the ion transitions at m/z 216.2/170.1 for CT, m/z 227.2/181.1 for NT and m/z 230.2/184.2 for the internal standard, d3-NT. The assay was linear in the ranges 0.5-100μg/mL for CT and 4-100μg/mL for NT with corresponding limits of detection of 0.2 and 2μg/mL. Intra- and inter-day precisions and accuracies were respectively {\\textless}15\\% and ±15\\%. Matrix effects were also evaluated. The method is potentially useful for high throughput analysis although sensitivity needs to be improved before it can be applied in clinical research.},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-01-28},\n\tjournal = {Acta Pharmaceutica Sinica B},\n\tauthor = {Song, Yuqiao and Liao, Jie and Zha, Cheng and Wang, Bin and Liu, Charles C.},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {482--486},\n}\n\n\n\n
\n
\n\n\n
\n A novel method for the simultaneous determination of 3-nitrotyrosine (NT) and 3-chlorotyrosine (CT) in human plasma has been developed based on direct analysis in real time-tandem mass spectrometry (DART-MS/MS). Analysis was performed in the positive ionization mode using multiple reaction monitoring (MRM) of the ion transitions at m/z 216.2/170.1 for CT, m/z 227.2/181.1 for NT and m/z 230.2/184.2 for the internal standard, d3-NT. The assay was linear in the ranges 0.5-100μg/mL for CT and 4-100μg/mL for NT with corresponding limits of detection of 0.2 and 2μg/mL. Intra- and inter-day precisions and accuracies were respectively \\textless15% and ±15%. Matrix effects were also evaluated. The method is potentially useful for high throughput analysis although sensitivity needs to be improved before it can be applied in clinical research.\n
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\n \n\n \n \n \n \n \n \n Ambient Ionization Techniques.\n \n \n \n \n\n\n \n Farré, M.; and Barceló, D.\n\n\n \n\n\n\n In Comprehensive Analytical Chemistry, volume 68, pages 245–273. Elsevier, 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{farre_ambient_2015,\n\ttitle = {Ambient {Ionization} {Techniques}},\n\tvolume = {68},\n\tisbn = {978-0-444-63340-8},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/B9780444633408000042},\n\tabstract = {The Food Authorities are intensifying their efforts to assess the risks to human health from the exposure to (natural and anthropogenic) food contaminants. Therefore, regular surveillance studies are required to monitor the increasing number of toxicant residues in food. In this sense, an essential component is the development of new analytical approaches to reduce sample manipulation time and analysis costs without compromising the reliability of the results.This chapter will assess the prospects of the different ambient ionization techniques such as the direct analysis in real time (DART), desorption atmospheric pressure chemical ionization (DAPCI), low-temperature plasma ionization (LTP), and atmospheric solids analysis probe (ASAP) coupled to various types of MS analyzers for both target and nontarget analysis of complex food matrices. The prospects of these techniques as a simple, high-throughput tool for qualitative confirmation of chemical identity; metabolomic fingerprinting/profiling; and quantification of food components are presented and discussed.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tbooktitle = {Comprehensive {Analytical} {Chemistry}},\n\tpublisher = {Elsevier},\n\tauthor = {Farré, Marinella and Barceló, Damià},\n\tyear = {2015},\n\tpages = {245--273},\n}\n\n\n\n
\n
\n\n\n
\n The Food Authorities are intensifying their efforts to assess the risks to human health from the exposure to (natural and anthropogenic) food contaminants. Therefore, regular surveillance studies are required to monitor the increasing number of toxicant residues in food. In this sense, an essential component is the development of new analytical approaches to reduce sample manipulation time and analysis costs without compromising the reliability of the results.This chapter will assess the prospects of the different ambient ionization techniques such as the direct analysis in real time (DART), desorption atmospheric pressure chemical ionization (DAPCI), low-temperature plasma ionization (LTP), and atmospheric solids analysis probe (ASAP) coupled to various types of MS analyzers for both target and nontarget analysis of complex food matrices. The prospects of these techniques as a simple, high-throughput tool for qualitative confirmation of chemical identity; metabolomic fingerprinting/profiling; and quantification of food components are presented and discussed.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry: a Powerful Tool for Fast Analysis.\n \n \n \n \n\n\n \n Li, X.; Wang, X.; Li, L.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Mass Spectrometry Letters, 6(1): 1–6. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_direct_2015,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry}: a {Powerful} {Tool} for {Fast} {Analysis}},\n\tvolume = {6},\n\tissn = {2233-4203},\n\tshorttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\turl = {http://koreascience.or.kr/journal/view.jsp?kj=E1MPSV&py=2015&vnc=v6n1&sp=1},\n\tdoi = {10.5478/MSL.2015.6.1.1},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) is one of the variants of ambient mass spectrometry. The ionization process of DART-MS is in open environment and only takes few seconds, so it is suitable for fast analysis. Actually, since its introduction in 2005, more and more attentions have been drawn to its various applications due to its excellent properties, e.g., fast analysis, and no or less sample preparation, high salt tolerance and so on. This review summarized the promising features of DART-MS, including its ionization mechanism, equipment modification, wide applications, coupling techniques and extraction strategies before analysis.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Mass Spectrometry Letters},\n\tauthor = {Li, Xianjiang and Wang, Xin and Li, Linnan and Bai, Yu and Liu, Huwei},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {1--6},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) is one of the variants of ambient mass spectrometry. The ionization process of DART-MS is in open environment and only takes few seconds, so it is suitable for fast analysis. Actually, since its introduction in 2005, more and more attentions have been drawn to its various applications due to its excellent properties, e.g., fast analysis, and no or less sample preparation, high salt tolerance and so on. This review summarized the promising features of DART-MS, including its ionization mechanism, equipment modification, wide applications, coupling techniques and extraction strategies before analysis.\n
\n\n\n
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\n \n\n \n \n \n \n \n \n Microfabrication, separations, and detection by mass spectrometry on ultrathin-layer chromatography plates prepared via the low-pressure chemical vapor deposition of silicon nitride onto carbon nanotube templates.\n \n \n \n \n\n\n \n Kanyal, S. S.; Häbe, T. T.; Cushman, C. V.; Dhunna, M.; Roychowdhury, T.; Farnsworth, P. B.; Morlock, G. E.; and Linford, M. R.\n\n\n \n\n\n\n Journal of Chromatography A, 1404: 115–123. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"Microfabrication,Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{kanyal_microfabrication_2015,\n\ttitle = {Microfabrication, separations, and detection by mass spectrometry on ultrathin-layer chromatography plates prepared via the low-pressure chemical vapor deposition of silicon nitride onto carbon nanotube templates},\n\tvolume = {1404},\n\tissn = {00219673},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0021967315007633},\n\tdoi = {10.1016/j.chroma.2015.05.053},\n\tabstract = {Microfabrication of ultrathin-layer chromatography (UTLC) plates via conformal deposition of silicon nitride by low-pressure chemical vapor deposition onto patterned carbon nanotube (CNT) scaffolds was demonstrated. After removal of the CNTs and hydroxylation, the resulting UTLC phase showed no expansion or distortion of their microfeatures and the absence/reduction of remaining nitrogenic species. Developing time of a mixture of lipophilic dyes on this UTLC plates was 86\\% shorter than on high-performance thin-layer chromatography (HPTLC) plates. A water-soluble food dye mixture was also separated resulting in low band broadening and reduced developing time compared to HPTLC. For the latter example, mobile phase optimization on a single UTLC plate consisted of 14 developments with different mobile phases, each preceded by a plate prewashing step. The same plate was again reused for additional 11 separations under varying conditions resulting in a development procedure with a mean separation efficiency of 233,000. theoretical plates/m and a reduced mobile phase consumption of only 400. μL. This repeated use proved the physical robustness of the ultrathin layer and its resistance to damage. The layer was highly suited for hyphenation to ambient mass spectrometry, including desorption electrospray ionization (DESI) mass spectrometry imaging and direct analysis in real time (DART) mass spectrometry.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Kanyal, Supriya S. and Häbe, Tim T. and Cushman, Cody V. and Dhunna, Manan and Roychowdhury, Tuhin and Farnsworth, Paul B. and Morlock, Gertrud E. and Linford, Matthew. R.},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {115--123},\n}\n\n\n\n
\n
\n\n\n
\n Microfabrication of ultrathin-layer chromatography (UTLC) plates via conformal deposition of silicon nitride by low-pressure chemical vapor deposition onto patterned carbon nanotube (CNT) scaffolds was demonstrated. After removal of the CNTs and hydroxylation, the resulting UTLC phase showed no expansion or distortion of their microfeatures and the absence/reduction of remaining nitrogenic species. Developing time of a mixture of lipophilic dyes on this UTLC plates was 86% shorter than on high-performance thin-layer chromatography (HPTLC) plates. A water-soluble food dye mixture was also separated resulting in low band broadening and reduced developing time compared to HPTLC. For the latter example, mobile phase optimization on a single UTLC plate consisted of 14 developments with different mobile phases, each preceded by a plate prewashing step. The same plate was again reused for additional 11 separations under varying conditions resulting in a development procedure with a mean separation efficiency of 233,000. theoretical plates/m and a reduced mobile phase consumption of only 400. μL. This repeated use proved the physical robustness of the ultrathin layer and its resistance to damage. The layer was highly suited for hyphenation to ambient mass spectrometry, including desorption electrospray ionization (DESI) mass spectrometry imaging and direct analysis in real time (DART) mass spectrometry.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Comparison of the applicability of mass spectrometer ion sources using a polarity-molecular weight scattergram with a 600 sample in-house chemical library.\n \n \n \n \n\n\n \n Sugimura, N.; Furuya, A.; Yatsu, T.; and Shibue, T.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 21(2): 91. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"ComparisonPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sugimura_comparison_2015,\n\ttitle = {Comparison of the applicability of mass spectrometer ion sources using a polarity-molecular weight scattergram with a 600 sample in-house chemical library},\n\tvolume = {21},\n\tissn = {1356-1049},\n\turl = {http://www.impublications.com/content/abstract?code=E21_0091},\n\tdoi = {10.1255/ejms.1345},\n\tabstract = {To provide a practical guideline for the selection of a mass spectrometer ion source, we compared the applicability of three types of ion source: direct analysis in real time (DART), electrospray ionization (ESI) and fast atom bombardment (FAB), using an in-house high-resolution mass spectrometry sample library consisting of approximately 600 compounds. The great majority of the compounds (92\\%), whose molecular weights (MWs) were broadly distributed between 150 and 1000, were detected using all the ion sources. Nevertheless, some compounds were not detected using specific ion sources. The use of FAB resulted in the highest sample detection rate ({\\textgreater}98\\%), whereas the detection rates obtained using DART and ESI were slightly lower ({\\textgreater}96\\%). A scattergram constructed using MW and topological polar surface area (tPSA) as a substitute for molecular polarity showed that the performance of ESI was weak in the low-MW ({\\textless}400), low-polarity (tPSA {\\textless} 60) area, whereas the performance of DART was weak in the high-MW ({\\textgreater}800) area. These results might provide guidelines for the selection of ion sources for inexperienced mass spectrometry users.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-01-28},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Sugimura, Natsuhiko and Furuya, Asami and Yatsu, Takahiro and Shibue, Toshimichi},\n\tyear = {2015},\n\tpages = {91},\n}\n\n\n\n
\n
\n\n\n
\n To provide a practical guideline for the selection of a mass spectrometer ion source, we compared the applicability of three types of ion source: direct analysis in real time (DART), electrospray ionization (ESI) and fast atom bombardment (FAB), using an in-house high-resolution mass spectrometry sample library consisting of approximately 600 compounds. The great majority of the compounds (92%), whose molecular weights (MWs) were broadly distributed between 150 and 1000, were detected using all the ion sources. Nevertheless, some compounds were not detected using specific ion sources. The use of FAB resulted in the highest sample detection rate (\\textgreater98%), whereas the detection rates obtained using DART and ESI were slightly lower (\\textgreater96%). A scattergram constructed using MW and topological polar surface area (tPSA) as a substitute for molecular polarity showed that the performance of ESI was weak in the low-MW (\\textless400), low-polarity (tPSA \\textless 60) area, whereas the performance of DART was weak in the high-MW (\\textgreater800) area. These results might provide guidelines for the selection of ion sources for inexperienced mass spectrometry users.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n DART Fourier transform ion cyclotron resonance mass spectrometry for analysis of complex organic mixtures.\n \n \n \n \n\n\n \n Lobodin, V. V.; Nyadong, L.; Ruddy, B. M.; Curtis, M.; Jones, P. R.; Rodgers, R. P.; and Marshall, A. G.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 378: 186–192. February 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lobodin_dart_2015,\n\ttitle = {{DART} {Fourier} transform ion cyclotron resonance mass spectrometry for analysis of complex organic mixtures},\n\tvolume = {378},\n\tissn = {13873806},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1387380614003212},\n\tdoi = {10.1016/j.ijms.2014.07.050},\n\tabstract = {We report the first combination of a commercial direct analysis in real time (DART) source with FT-ICR MS and its application to analysis of complex organic mixtures. DART enables ionization of compounds with little or no sample preparation, and FT-ICR provides ultrahigh mass resolution and mass accuracy. The combination provides a rapid, robust, and reliable method for analysis of components spanning a wide range of chemical functionality. DART 9.4 T FT-ICR MS generates abundant molecular or quasimolecular ions from C60, heavy petroleum, naphthenate deposits, and biotar, without fragmentation. Moreover, we demonstrate desorption/ionization of compounds with boiling points significantly higher than the DART source temperature. DART FT-ICR MS thus offers a new and useful atmospheric pressure ionization mass spectrometry technique for analysis of complex organic mixtures.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Lobodin, Vladislav V. and Nyadong, Leonard and Ruddy, Brian M. and Curtis, Matthew and Jones, Patrick R. and Rodgers, Ryan P. and Marshall, Alan G.},\n\tmonth = feb,\n\tyear = {2015},\n\tpages = {186--192},\n}\n\n\n\n
\n
\n\n\n
\n We report the first combination of a commercial direct analysis in real time (DART) source with FT-ICR MS and its application to analysis of complex organic mixtures. DART enables ionization of compounds with little or no sample preparation, and FT-ICR provides ultrahigh mass resolution and mass accuracy. The combination provides a rapid, robust, and reliable method for analysis of components spanning a wide range of chemical functionality. DART 9.4 T FT-ICR MS generates abundant molecular or quasimolecular ions from C60, heavy petroleum, naphthenate deposits, and biotar, without fragmentation. Moreover, we demonstrate desorption/ionization of compounds with boiling points significantly higher than the DART source temperature. DART FT-ICR MS thus offers a new and useful atmospheric pressure ionization mass spectrometry technique for analysis of complex organic mixtures.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Quantification of patulin in fruit leathers by ultra-high-performance liquid chromatography-photodiode array (UPLC-PDA).\n \n \n \n \n\n\n \n Maragos, C. M.; Busman, M.; Ma, L.; and Bobell, J.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 32(7): 1164–1174. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"QuantificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{maragos_quantification_2015,\n\ttitle = {Quantification of patulin in fruit leathers by ultra-high-performance liquid chromatography-photodiode array ({UPLC}-{PDA})},\n\tvolume = {32},\n\tissn = {1944-0049, 1944-0057},\n\turl = {http://www.tandfonline.com/doi/full/10.1080/19440049.2015.1036383},\n\tdoi = {10.1080/19440049.2015.1036383},\n\tabstract = {Patulin is a mycotoxin commonly found in certain fruit and fruit products. For this reason many countries have established regulatory limits pertaining to, in particular, apple juice and apple products. Fruit leathers are produced by dehydrating fruit puree, leaving a sweet product that has a leathery texture. A recent report in the literature described the detection of patulin at substantial levels in fruit leathers. To investigate this further, an ultra-high-performance liquid chromatography-photodiode array (UPLC-PDA) method was developed for the sensitive detection of patulin in fruit leathers. Investigations were also made of the suitability of direct analysis in real time-mass spectrometry (DART-MS) for detection of patulin from the surface of fruit leathers. Results indicated DART-MS was insufficiently sensitive for quantification from the surface of home-style apple leathers, although patulin spiked onto the surface of leather or peel could be detected. The UPLC-PDA method was used to determine the fate of patulin during the preparation of home-made fruit leathers. Interestingly, when a home-style process was used, the patulin was not destroyed, but rather increased in concentration as the puree was dehydrated. The UPLC-PDA method was also used to screen for patulin in commercial fruit leathers. Of the 36 products tested, 14 were above the limit of detection (3.5 μg kg–1) and nine were above the limit of quantification (12 μg kg–1). Positive samples were confirmed by UPLC-MS/MS. Only one sample was found above the US regulatory limit for single-strength apple juice products (50 μg kg–1). These results suggest patulin can be concentrated during preparation and can be found in fruit leathers. The limited survey suggests that patulin is fairly prevalent in such commercial products, but that the levels are usually low.},\n\tlanguage = {en},\n\tnumber = {7},\n\turldate = {2016-01-28},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Maragos, Chris M. and Busman, Mark and Ma, Liang and Bobell, John},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {1164--1174},\n}\n\n\n\n
\n
\n\n\n
\n Patulin is a mycotoxin commonly found in certain fruit and fruit products. For this reason many countries have established regulatory limits pertaining to, in particular, apple juice and apple products. Fruit leathers are produced by dehydrating fruit puree, leaving a sweet product that has a leathery texture. A recent report in the literature described the detection of patulin at substantial levels in fruit leathers. To investigate this further, an ultra-high-performance liquid chromatography-photodiode array (UPLC-PDA) method was developed for the sensitive detection of patulin in fruit leathers. Investigations were also made of the suitability of direct analysis in real time-mass spectrometry (DART-MS) for detection of patulin from the surface of fruit leathers. Results indicated DART-MS was insufficiently sensitive for quantification from the surface of home-style apple leathers, although patulin spiked onto the surface of leather or peel could be detected. The UPLC-PDA method was used to determine the fate of patulin during the preparation of home-made fruit leathers. Interestingly, when a home-style process was used, the patulin was not destroyed, but rather increased in concentration as the puree was dehydrated. The UPLC-PDA method was also used to screen for patulin in commercial fruit leathers. Of the 36 products tested, 14 were above the limit of detection (3.5 μg kg–1) and nine were above the limit of quantification (12 μg kg–1). Positive samples were confirmed by UPLC-MS/MS. Only one sample was found above the US regulatory limit for single-strength apple juice products (50 μg kg–1). These results suggest patulin can be concentrated during preparation and can be found in fruit leathers. The limited survey suggests that patulin is fairly prevalent in such commercial products, but that the levels are usually low.\n
\n\n\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time - high resolution mass spectrometry (DART-HRMS): a high throughput strategy for identification and quantification of anabolic steroid esters: DART-HRMS: a high throughput strategy for identification and quantification of anabolic steroid esters.\n \n \n \n \n\n\n \n Doué, M.; Dervilly-Pinel, G.; Pouponneau, K.; Monteau, F.; and Le Bizec, B.\n\n\n \n\n\n\n Drug Testing and Analysis, 7(7): 603–608. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{doue_direct_2015,\n\ttitle = {Direct analysis in real time - high resolution mass spectrometry ({DART}-{HRMS}): a high throughput strategy for identification and quantification of anabolic steroid esters: {DART}-{HRMS}: a high throughput strategy for identification and quantification of anabolic steroid esters},\n\tvolume = {7},\n\tissn = {19427603},\n\tshorttitle = {Direct analysis in real time - high resolution mass spectrometry ({DART}-{HRMS})},\n\turl = {http://doi.wiley.com/10.1002/dta.1727},\n\tdoi = {10.1002/dta.1727},\n\tabstract = {High throughput screening is essential for doping, forensic, and food safety laboratories. While hyphenated chromatography-mass spectrometry (MS) remains the approach of choice, recent ambient MS techniques, such as direct analysis in real time (DART), offer more rapid and more versatile strategies and thus gain in popularity. In this study, the potential of DART hyphenated with Orbitrap-MS for fast identification and quantification of 21 anabolic steroid esters has been evaluated. Direct analysis in high resolution scan mode allowed steroid esters screening by accurate mass measurement (Resolution=60 000 and mass error{\\textless}3ppm). Steroid esters identification was further supported by collision-induced dissociation (CID) experiments through the generation of two additional ions. Moreover, the use of labelled internal standards allowed quantitative data to be recovered based on isotopic dilution approach. Linearity (R2{\\textgreater}0.99), dynamic range (from 1 to 1000ngmL-1), bias ({\\textless}10\\%), sensitivity (1ngmL-1), repeatability and reproducibility (RSD{\\textless}20\\%) were evaluated as similar to those obtained with hyphenated chromatography-mass spectrometry techniques. This innovative high throughput approach was successfully applied for the characterization of oily commercial preparations, and thus fits the needs of the competent authorities in the fight against forbidden or counterfeited substances.},\n\tlanguage = {en},\n\tnumber = {7},\n\turldate = {2016-01-28},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Doué, Mickael and Dervilly-Pinel, Gaud and Pouponneau, Karinne and Monteau, Fabrice and Le Bizec, Bruno},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {603--608},\n}\n\n\n\n
\n
\n\n\n
\n High throughput screening is essential for doping, forensic, and food safety laboratories. While hyphenated chromatography-mass spectrometry (MS) remains the approach of choice, recent ambient MS techniques, such as direct analysis in real time (DART), offer more rapid and more versatile strategies and thus gain in popularity. In this study, the potential of DART hyphenated with Orbitrap-MS for fast identification and quantification of 21 anabolic steroid esters has been evaluated. Direct analysis in high resolution scan mode allowed steroid esters screening by accurate mass measurement (Resolution=60 000 and mass error\\textless3ppm). Steroid esters identification was further supported by collision-induced dissociation (CID) experiments through the generation of two additional ions. Moreover, the use of labelled internal standards allowed quantitative data to be recovered based on isotopic dilution approach. Linearity (R2\\textgreater0.99), dynamic range (from 1 to 1000ngmL-1), bias (\\textless10%), sensitivity (1ngmL-1), repeatability and reproducibility (RSD\\textless20%) were evaluated as similar to those obtained with hyphenated chromatography-mass spectrometry techniques. This innovative high throughput approach was successfully applied for the characterization of oily commercial preparations, and thus fits the needs of the competent authorities in the fight against forbidden or counterfeited substances.\n
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\n \n\n \n \n \n \n \n \n Validation of Direct Analysis Real Time source/Time-of-Flight Mass Spectrometry for organophosphate quantitation on wafer surface.\n \n \n \n \n\n\n \n Hayeck, N.; Ravier, S.; Gemayel, R.; Gligorovski, S.; Poulet, I.; Maalouly, J.; and Wortham, H.\n\n\n \n\n\n\n Talanta, 144: 1163–1170. November 2015.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{hayeck_validation_2015,\n\ttitle = {Validation of {Direct} {Analysis} {Real} {Time} source/{Time}-of-{Flight} {Mass} {Spectrometry} for organophosphate quantitation on wafer surface},\n\tvolume = {144},\n\tissn = {00399140},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0039914015302071},\n\tdoi = {10.1016/j.talanta.2015.07.080},\n\tabstract = {Microelectronic wafers are exposed to airborne molecular contamination (AMC) during the fabrication process of microelectronic components. The organophosphate compounds belonging to the dopant group are one of the most harmful groups. Once adsorbed on the wafer surface these compounds hardly desorb and could diffuse in the bulk of the wafer and invert the wafer from p-type to n-type. The presence of these compounds on wafer surface could have electrical effect on the microelectronic components. For these reasons, it is of importance to control the amount of these compounds on the surface of the wafer. As a result, a fast quantitative and qualitative analytical method, nondestructive for the wafers, is needed to be able to adjust the process and avoid the loss of an important quantity of processed wafers due to the contamination by organophosphate compounds. Here we developed and validated an analytical method for the determination of organic compounds adsorbed on the surface of microelectronic wafers using the Direct Analysis in Real Time-Time of Flight-Mass Spectrometry (DART-ToF-MS) system. Specifically, the developed methodology concerns the organophosphate group.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Talanta},\n\tauthor = {Hayeck, Nathalie and Ravier, Sylvain and Gemayel, Rachel and Gligorovski, Sasho and Poulet, Irène and Maalouly, Jacqueline and Wortham, Henri},\n\tmonth = nov,\n\tyear = {2015},\n\tpages = {1163--1170},\n}\n\n\n\n
\n
\n\n\n
\n Microelectronic wafers are exposed to airborne molecular contamination (AMC) during the fabrication process of microelectronic components. The organophosphate compounds belonging to the dopant group are one of the most harmful groups. Once adsorbed on the wafer surface these compounds hardly desorb and could diffuse in the bulk of the wafer and invert the wafer from p-type to n-type. The presence of these compounds on wafer surface could have electrical effect on the microelectronic components. For these reasons, it is of importance to control the amount of these compounds on the surface of the wafer. As a result, a fast quantitative and qualitative analytical method, nondestructive for the wafers, is needed to be able to adjust the process and avoid the loss of an important quantity of processed wafers due to the contamination by organophosphate compounds. Here we developed and validated an analytical method for the determination of organic compounds adsorbed on the surface of microelectronic wafers using the Direct Analysis in Real Time-Time of Flight-Mass Spectrometry (DART-ToF-MS) system. Specifically, the developed methodology concerns the organophosphate group.\n
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\n \n\n \n \n \n \n \n \n Detection of “Bath Salt” Synthetic Cathinones and Metabolites in Urine via DART-MS and Solid Phase Microextraction.\n \n \n \n \n\n\n \n LaPointe, J.; Musselman, B.; O’Neill, T.; and Shepard, J. R. E.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 26(1): 159–165. January 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lapointe_detection_2015,\n\ttitle = {Detection of “{Bath} {Salt}” {Synthetic} {Cathinones} and {Metabolites} in {Urine} via {DART}-{MS} and {Solid} {Phase} {Microextraction}},\n\tvolume = {26},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-014-1006-9},\n\tdoi = {10.1007/s13361-014-1006-9},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {LaPointe, Joseph and Musselman, Brian and O’Neill, Teresa and Shepard, Jason R. E.},\n\tmonth = jan,\n\tyear = {2015},\n\tpages = {159--165},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Evaluation of ice-tea quality by DART-TOF/MS: Evaluation of ice-tea quality by DART-TOF/MS.\n \n \n \n \n\n\n \n Rajchl, A.; Prchalová, J.; Kružík, V.; Ševčík, R.; and Čížková, H.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 50(11): 1214–1221. November 2015.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{rajchl_evaluation_2015,\n\ttitle = {Evaluation of ice-tea quality by {DART}-{TOF}/{MS}: {Evaluation} of ice-tea quality by {DART}-{TOF}/{MS}},\n\tvolume = {50},\n\tissn = {10765174},\n\tshorttitle = {Evaluation of ice-tea quality by {DART}-{TOF}/{MS}},\n\turl = {http://doi.wiley.com/10.1002/jms.3639},\n\tdoi = {10.1002/jms.3639},\n\tabstract = {DART (Direct Analysis in Real Time) coupled with Time-of-Flight Mass Spectrometry (TOF/MS) has been used for analyses of ice-teas. The article focuses on quality and authenticity of ice-teas as one of the most important tea-based products on the market. Twenty-one samples of ice-teas (black and green) were analysed. Selected compounds of ice-teas were determined: theobromine, caffeine, total phenolic compounds, total soluble solids, total amino acid concentration, preservatives and saccharides were determined. Fingerprints of DART-TOF/MS spectra were used for comprehensive assessment of the ice-tea samples. The DART-TOF/MS method was used for monitoring the following compounds: citric acid, caffeine, saccharides, artificial sweeteners (saccharin, acesulphame K), and preservatives (sorbic and benzoic acid), phosphoric acid and phenolic compounds. The measured data were subjected to a principal components analysis. The HPLC and DART-TOF/MS methods were compared in terms of determination of selected compounds (caffeine, benzoic acid, sorbic acid and saccharides) in the ice-teas. The DART-TOF/MS technique seems to be a suitable method for fast screening, testing quality and authenticity of tea-based products.},\n\tlanguage = {en},\n\tnumber = {11},\n\turldate = {2016-01-29},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Rajchl, Aleš and Prchalová, Jana and Kružík, Vojtěch and Ševčík, Rudolf and Čížková, Helena},\n\tmonth = nov,\n\tyear = {2015},\n\tpages = {1214--1221},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n DART (Direct Analysis in Real Time) coupled with Time-of-Flight Mass Spectrometry (TOF/MS) has been used for analyses of ice-teas. The article focuses on quality and authenticity of ice-teas as one of the most important tea-based products on the market. Twenty-one samples of ice-teas (black and green) were analysed. Selected compounds of ice-teas were determined: theobromine, caffeine, total phenolic compounds, total soluble solids, total amino acid concentration, preservatives and saccharides were determined. Fingerprints of DART-TOF/MS spectra were used for comprehensive assessment of the ice-tea samples. The DART-TOF/MS method was used for monitoring the following compounds: citric acid, caffeine, saccharides, artificial sweeteners (saccharin, acesulphame K), and preservatives (sorbic and benzoic acid), phosphoric acid and phenolic compounds. The measured data were subjected to a principal components analysis. The HPLC and DART-TOF/MS methods were compared in terms of determination of selected compounds (caffeine, benzoic acid, sorbic acid and saccharides) in the ice-teas. The DART-TOF/MS technique seems to be a suitable method for fast screening, testing quality and authenticity of tea-based products.\n
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\n \n\n \n \n \n \n \n \n Rapid determination of 1-deoxynojirimycin in Morus alba L. leaves by direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Xu, B.; Zhang, D.; Liu, Z.; Zhang, Y.; Liu, L.; Li, L.; Liu, C. C.; and Wu, G.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 114: 447–454. October 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{xu_rapid_2015,\n\ttitle = {Rapid determination of 1-deoxynojirimycin in {Morus} alba {L}. leaves by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {114},\n\tissn = {07317085},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0731708515300273},\n\tdoi = {10.1016/j.jpba.2015.06.010},\n\tabstract = {A new method based on a Direct Analysis in Real Time (DART) ionization source coupled with triple quadrupole tandem mass spectrometry has been developed for rapid qualitative and quantitative analyses of 1-deoxynojirimycin (DNJ) in mulberry leaves. Two ions produced from DNJ, [M+H]+ (m/z 164) and [M-2H+H]+ (m/z 162), are observed using DART-MS in the positive ion mode. The peak areas of the two selected ions monitoring (SIM) signals of ([M+H]+ (m/z 164) and [M-2H+H]+ (m/z 162)) are integrated to determine the peak area for quantitative analyses. A reasonable linear regression equation is obtained in the range of 1.01 to 40.50μg/mL, with a linear coefficient (R2) of 0.996. The limits of detection (LOD) and quantification (LOQ) of the method are 0.25 and 0.80μg/mL, respectively. The range of recovery is shown to be 87.73-95.61\\%. The results derived from the developed DART-MS method are in good agreement with those from the conventional HPLC-FLD method. By contrast, DART-MS in SIM mode is a simple, rapid and high-throughput approach for the determination of the DNJ content in mulberry leaves. The present method is advantageous for the rapid screening of mulberry leaves containing high DNJ contents.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Xu, Bin and Zhang, Dong-Yang and Liu, Ze-Yu and Zhang, Ying and Liu, Li and Li, Long and Liu, Charles C. and Wu, Guo-Hua},\n\tmonth = oct,\n\tyear = {2015},\n\tpages = {447--454},\n}\n\n\n\n
\n
\n\n\n
\n A new method based on a Direct Analysis in Real Time (DART) ionization source coupled with triple quadrupole tandem mass spectrometry has been developed for rapid qualitative and quantitative analyses of 1-deoxynojirimycin (DNJ) in mulberry leaves. Two ions produced from DNJ, [M+H]+ (m/z 164) and [M-2H+H]+ (m/z 162), are observed using DART-MS in the positive ion mode. The peak areas of the two selected ions monitoring (SIM) signals of ([M+H]+ (m/z 164) and [M-2H+H]+ (m/z 162)) are integrated to determine the peak area for quantitative analyses. A reasonable linear regression equation is obtained in the range of 1.01 to 40.50μg/mL, with a linear coefficient (R2) of 0.996. The limits of detection (LOD) and quantification (LOQ) of the method are 0.25 and 0.80μg/mL, respectively. The range of recovery is shown to be 87.73-95.61%. The results derived from the developed DART-MS method are in good agreement with those from the conventional HPLC-FLD method. By contrast, DART-MS in SIM mode is a simple, rapid and high-throughput approach for the determination of the DNJ content in mulberry leaves. The present method is advantageous for the rapid screening of mulberry leaves containing high DNJ contents.\n
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\n \n\n \n \n \n \n \n \n DART–TOF–MS based metabolomics study for the discrimination analysis of geographical origin of Angelica gigas roots collected from Korea and China.\n \n \n \n \n\n\n \n Kim, H. J.; Seo, Y. T.; Park, S.; Jeong, S. H.; Kim, M. K.; and Jang, Y. P.\n\n\n \n\n\n\n Metabolomics, 11(1): 64–70. February 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DART–TOF–MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{kim_darttofms_2015,\n\ttitle = {{DART}–{TOF}–{MS} based metabolomics study for the discrimination analysis of geographical origin of {Angelica} gigas roots collected from {Korea} and {China}},\n\tvolume = {11},\n\tissn = {1573-3882, 1573-3890},\n\turl = {http://link.springer.com/10.1007/s11306-014-0671-9},\n\tdoi = {10.1007/s11306-014-0671-9},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Metabolomics},\n\tauthor = {Kim, Hye Jin and Seo, Yong Taek and Park, Sang-il and Jeong, Se Hee and Kim, Min Kyoung and Jang, Young Pyo},\n\tmonth = feb,\n\tyear = {2015},\n\tpages = {64--70},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Authentication of true cinnamon (Cinnamon verum) utilising direct analysis in real time (DART)-QToF-MS.\n \n \n \n \n\n\n \n Avula, B.; Smillie, T. J.; Wang, Y.; Zweigenbaum, J.; and Khan, I. A.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 32(1): 1–8. January 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AuthenticationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{avula_authentication_2015,\n\ttitle = {Authentication of true cinnamon ({Cinnamon} verum) utilising direct analysis in real time ({DART})-{QToF}-{MS}},\n\tvolume = {32},\n\tissn = {1944-0049, 1944-0057},\n\turl = {http://www.tandfonline.com/doi/full/10.1080/19440049.2014.981763},\n\tdoi = {10.1080/19440049.2014.981763},\n\tabstract = {The use of cinnamon as a spice and flavouring agent is widespread throughout the world. Many different species of plants are commonly referred to as ‘cinnamon’. ‘True cinnamon’ refers to the dried inner bark of Cinnamomum verum J. S. Presl (syn. C. zeylanicum) (Lauraceae). Other ‘cinnamon’ species, C. cassia (Nees \\& T. Nees) J. Presl (syn. C. aromaticum Nees) (Chinese cassia), C. loureiroi Nees (Saigon cassia), and C. burmannii (Nees \\& T. Nees) Blume (Indonesian cassia), commonly known as cassia, are also marketed as cinnamon. Since there is a prevalence of these various types of ‘cinnamons’ on the market, there is a need to develop a rapid technique that can readily differentiate between true cinnamon (C. verum) and other commonly marketed species. In the present study, coumarin and other marker compounds indicative of ‘cinnamon’ were analysed using DART-QToF-MS in various samples of cinnamon. This method involved the use of [M + H]+ ions in positive mode in addition to principal component analysis (PCA) using Mass Profiler Professional software to visualise several samples for quality and to discriminate ‘true cinnamon’ from other Cinnamomum species using the accurate mass capabilities of QToF-MS.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Avula, Bharathi and Smillie, Troy J. and Wang, Yan-Hong and Zweigenbaum, Jerry and Khan, Ikhlas A.},\n\tmonth = jan,\n\tyear = {2015},\n\tpages = {1--8},\n}\n\n\n\n
\n
\n\n\n
\n The use of cinnamon as a spice and flavouring agent is widespread throughout the world. Many different species of plants are commonly referred to as ‘cinnamon’. ‘True cinnamon’ refers to the dried inner bark of Cinnamomum verum J. S. Presl (syn. C. zeylanicum) (Lauraceae). Other ‘cinnamon’ species, C. cassia (Nees & T. Nees) J. Presl (syn. C. aromaticum Nees) (Chinese cassia), C. loureiroi Nees (Saigon cassia), and C. burmannii (Nees & T. Nees) Blume (Indonesian cassia), commonly known as cassia, are also marketed as cinnamon. Since there is a prevalence of these various types of ‘cinnamons’ on the market, there is a need to develop a rapid technique that can readily differentiate between true cinnamon (C. verum) and other commonly marketed species. In the present study, coumarin and other marker compounds indicative of ‘cinnamon’ were analysed using DART-QToF-MS in various samples of cinnamon. This method involved the use of [M + H]+ ions in positive mode in addition to principal component analysis (PCA) using Mass Profiler Professional software to visualise several samples for quality and to discriminate ‘true cinnamon’ from other Cinnamomum species using the accurate mass capabilities of QToF-MS.\n
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\n \n\n \n \n \n \n \n \n Tracking and identification of antibacterial components in the essential oil of Tanacetum vulgare L. by the combination of high-performance thin-layer chromatography with direct bioautography and mass spectrometry.\n \n \n \n \n\n\n \n Móricz, Á. M.; Häbe, T. T.; Böszörményi, A.; Ott, P. G.; and Morlock, G. E.\n\n\n \n\n\n\n Journal of Chromatography A, 1422: 310–317. November 2015.\n \n\n\n\n
\n\n\n\n \n \n \"TrackingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{moricz_tracking_2015,\n\ttitle = {Tracking and identification of antibacterial components in the essential oil of {Tanacetum} vulgare {L}. by the combination of high-performance thin-layer chromatography with direct bioautography and mass spectrometry},\n\tvolume = {1422},\n\tissn = {00219673},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0021967315014545},\n\tdoi = {10.1016/j.chroma.2015.10.010},\n\tabstract = {Two tansy (Tanacetum vulgare L.) essential oils were obtained by steam distillation of the capitula with subsequent liquid-liquid extraction (oil 1) or with use of an auxiliary phase for the trapping of the steam components (oil 2). These oils were investigated against Bacillus subtilis F1276, B. subtilis spizizenii (DSM 618), Xanthomonas euvesicatoria, Pseudomonas syringae pv. maculicola, Ralstonia solanacearum strain GMI1000 and Aliivibrio fischeri, using the coupling of high-performance thin-layer chromatography to direct bioautography (HPTLC-DB). Using this method with the potato and tomato pathogen R. solanacearum is shown for the first time. Due to the advanced extraction process, oil 2 was richer in components and provided more inhibition zones. The main bioactive components were identified by scanning HPTLC-Direct Analysis in Real Time mass spectrometry (HPTLC-DART-MS) and solid-phase microextraction gas chromatography electron impact MS (SPME-GC-EI-MS) as cis- and trans-chrysanthenol as well as trans-chrysanthenyl acetate. cis-Chrysanthenol exhibited antibacterial effects against all tested bacteria, whereas trans-chrysanthenol inhibited B. subtilis, R. solanacearum and A. fischeri. trans-Chrysanthenyl acetate was an inhibitor for X. euvesicatoria, R. solanacearum and A. fischeri. Although HPTLC-DART-MS resulted in a comparable fragmentation, the ionization characteristics and the recorded mass spectra clearly showed that DART is a softer ionization technique than EI. It is also more affected by ambient conditions and thus prone to additional oxidation products.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Móricz, Ágnes M. and Häbe, Tim T. and Böszörményi, Andrea and Ott, Péter G. and Morlock, Gertrud E.},\n\tmonth = nov,\n\tyear = {2015},\n\tpages = {310--317},\n}\n\n\n\n
\n
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\n Two tansy (Tanacetum vulgare L.) essential oils were obtained by steam distillation of the capitula with subsequent liquid-liquid extraction (oil 1) or with use of an auxiliary phase for the trapping of the steam components (oil 2). These oils were investigated against Bacillus subtilis F1276, B. subtilis spizizenii (DSM 618), Xanthomonas euvesicatoria, Pseudomonas syringae pv. maculicola, Ralstonia solanacearum strain GMI1000 and Aliivibrio fischeri, using the coupling of high-performance thin-layer chromatography to direct bioautography (HPTLC-DB). Using this method with the potato and tomato pathogen R. solanacearum is shown for the first time. Due to the advanced extraction process, oil 2 was richer in components and provided more inhibition zones. The main bioactive components were identified by scanning HPTLC-Direct Analysis in Real Time mass spectrometry (HPTLC-DART-MS) and solid-phase microextraction gas chromatography electron impact MS (SPME-GC-EI-MS) as cis- and trans-chrysanthenol as well as trans-chrysanthenyl acetate. cis-Chrysanthenol exhibited antibacterial effects against all tested bacteria, whereas trans-chrysanthenol inhibited B. subtilis, R. solanacearum and A. fischeri. trans-Chrysanthenyl acetate was an inhibitor for X. euvesicatoria, R. solanacearum and A. fischeri. Although HPTLC-DART-MS resulted in a comparable fragmentation, the ionization characteristics and the recorded mass spectra clearly showed that DART is a softer ionization technique than EI. It is also more affected by ambient conditions and thus prone to additional oxidation products.\n
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\n \n\n \n \n \n \n \n \n FORENSIC ANALYSIS OF CITES-PROTECTED DALBERGIA TIMBER FROM THE AMERICAS.\n \n \n \n \n\n\n \n Wiemann, M. C.; Chavarria, G. D.; Barajas-Morales, J.; Espinoza, E. O.; and McClure, P. J.\n\n\n \n\n\n\n IAWA Journal, 36(3): 311–325. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"FORENSICPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{wiemann_forensic_2015,\n\ttitle = {{FORENSIC} {ANALYSIS} {OF} {CITES}-{PROTECTED} {DALBERGIA} {TIMBER} {FROM} {THE} {AMERICAS}},\n\tvolume = {36},\n\tissn = {0928-1541, 2294-1932},\n\turl = {http://booksandjournals.brillonline.com/content/journals/10.1163/22941932-20150102},\n\tdoi = {10.1163/22941932-20150102},\n\tabstract = {Species identification of logs, planks, and veneers is difficult because they lack the traditional descriptors such as leaves and flowers. An additional challenge is that many transnational shipments have unreliable geographic provenance. Therefore, frequently the lowest taxonomic determination is genus, which allows unscrupulous importers to evade the endangered species laws. In this study we explore whether analysis of wood using a Direct Analysis in Real Time (DART) Time-Of-Flight Mass Spectrometer (TOFMS) can assist in making unequivocal species determinations of Dalbergia. DART TOFMS spectra were collected from the heartwood of eight species of Dalbergia and six other look-alike species. In all, fourteen species comprising of 318 specimens were analyzed and the species chemical profiles were examined by statistical analysis. Dalbergia nigra (CITES Appendix I) was differentiated from D. spruceana; D. stevensonii (Appendix II) was distinguished from D. tucurensis (Appendix III), and all the look-alike timbers could be readily distinguished. Surprisingly, D. retusa (Appendix III) could not be differentiated from D. granadillo, and we postulate that they are synonymous. We conclude that DART TOFMS spectra are useful in making species identifications of American Dalbergia species, and could be a valuable tool for the traditional wood anatomist.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-28},\n\tjournal = {IAWA Journal},\n\tauthor = {Wiemann, Michael C. and Chavarria, Gabriela D. and Barajas-Morales, Josefina and Espinoza, Edgard O. and McClure, Pamela J.},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {311--325},\n}\n\n\n\n
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\n Species identification of logs, planks, and veneers is difficult because they lack the traditional descriptors such as leaves and flowers. An additional challenge is that many transnational shipments have unreliable geographic provenance. Therefore, frequently the lowest taxonomic determination is genus, which allows unscrupulous importers to evade the endangered species laws. In this study we explore whether analysis of wood using a Direct Analysis in Real Time (DART) Time-Of-Flight Mass Spectrometer (TOFMS) can assist in making unequivocal species determinations of Dalbergia. DART TOFMS spectra were collected from the heartwood of eight species of Dalbergia and six other look-alike species. In all, fourteen species comprising of 318 specimens were analyzed and the species chemical profiles were examined by statistical analysis. Dalbergia nigra (CITES Appendix I) was differentiated from D. spruceana; D. stevensonii (Appendix II) was distinguished from D. tucurensis (Appendix III), and all the look-alike timbers could be readily distinguished. Surprisingly, D. retusa (Appendix III) could not be differentiated from D. granadillo, and we postulate that they are synonymous. We conclude that DART TOFMS spectra are useful in making species identifications of American Dalbergia species, and could be a valuable tool for the traditional wood anatomist.\n
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\n \n\n \n \n \n \n \n \n Determination of the aflatoxin M1 (AFM1) from milk by direct analysis in real time – mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Busman, M.; Bobell, J. R.; and Maragos, C. M.\n\n\n \n\n\n\n Food Control, 47: 592–598. January 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{busman_determination_2015,\n\ttitle = {Determination of the aflatoxin {M1} ({AFM1}) from milk by direct analysis in real time – mass spectrometry ({DART}-{MS})},\n\tvolume = {47},\n\tissn = {09567135},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0956713514004514},\n\tdoi = {10.1016/j.foodcont.2014.08.003},\n\tabstract = {Certain fungi that grow on crops can produce aflatoxins, which are highly carcinogenic. One of these, aflatoxin B1 can be metabolized by mammals to aflatoxin M1, a form that retains potent carcinogenicity and which can be excreted into milk. Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for the rapid quantitative analysis of a common form of aflatoxin, AFM1, extracted from cow milk. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of AFM1. The lowest calibration level (LCL) for aflatoxin AFM1 was 0.1μg/kg. Quantitative analysis was performed with the use of matrix-matched standards employing a 13C-labeled internal standard for AFM1. DART-MS of spiked milk extracts gave linear response over the range of 0.1-2.5μg/kg. Good recoveries (94.7-109.2\\%) and repeatabilities (RSD 13.5-9.6\\%) were obtained at spiking levels of 0.5 and 2.0μg/kg. The results of the study further demonstrate the potential of ambient ionization-MS techniques for the sensitive, convenient and rapid quantitative determination of mycotoxins from difficult matrices.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Food Control},\n\tauthor = {Busman, Mark and Bobell, John R. and Maragos, Chris M.},\n\tmonth = jan,\n\tyear = {2015},\n\tpages = {592--598},\n}\n\n\n\n
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\n Certain fungi that grow on crops can produce aflatoxins, which are highly carcinogenic. One of these, aflatoxin B1 can be metabolized by mammals to aflatoxin M1, a form that retains potent carcinogenicity and which can be excreted into milk. Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for the rapid quantitative analysis of a common form of aflatoxin, AFM1, extracted from cow milk. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of AFM1. The lowest calibration level (LCL) for aflatoxin AFM1 was 0.1μg/kg. Quantitative analysis was performed with the use of matrix-matched standards employing a 13C-labeled internal standard for AFM1. DART-MS of spiked milk extracts gave linear response over the range of 0.1-2.5μg/kg. Good recoveries (94.7-109.2%) and repeatabilities (RSD 13.5-9.6%) were obtained at spiking levels of 0.5 and 2.0μg/kg. The results of the study further demonstrate the potential of ambient ionization-MS techniques for the sensitive, convenient and rapid quantitative determination of mycotoxins from difficult matrices.\n
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\n \n\n \n \n \n \n \n \n Prediction of acrylamide formation in biscuits based on fingerprint data generated by ambient ionization mass spectrometry employing direct analysis in real time (DART) ion source.\n \n \n \n \n\n\n \n Vaclavik, L.; Capuano, E.; Gökmen, V.; and Hajslova, J.\n\n\n \n\n\n\n Food Chemistry, 173: 290–297. April 2015.\n \n\n\n\n
\n\n\n\n \n \n \"PredictionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{vaclavik_prediction_2015,\n\ttitle = {Prediction of acrylamide formation in biscuits based on fingerprint data generated by ambient ionization mass spectrometry employing direct analysis in real time ({DART}) ion source},\n\tvolume = {173},\n\tissn = {03088146},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0308814614015398},\n\tdoi = {10.1016/j.foodchem.2014.09.151},\n\tabstract = {The objective of this study is the evaluation of the potential of high-throughput direct analysis in real time-high resolution mass spectrometry (DART-HRMS) fingerprinting and multivariate regression analysis in prediction of the extent of acrylamide formation in biscuit samples prepared by various recipes and baking conditions. Information-rich mass spectral fingerprints were obtained by analysis of biscuit extracts for preparation of which aqueous methanol was used. The principal component analysis (PCA) of the acquired data revealed an apparent clustering of samples according to the extent of heat-treatment applied during the baking of the biscuits. The regression model for prediction of acrylamide in biscuits was obtained by partial least square regression (PLSR) analysis of the data matrix representing combined positive and negative ionization mode fingerprints. The model provided a least root mean square error of cross validation (RMSECV) equal to an acrylamide concentration of 5.4 μg kg-1 and standard error of prediction (SEP) of 14.8 μg kg-1. The results obtained indicate that this strategy can be used to accurately predict the amounts of acrylamide formed during baking of biscuits. Such rapid estimation of acrylamide concentration can become a useful tool in evaluation of the effectivity of processes aiming at mitigation of this food processing contaminant. However, the robustness this approach with respect to variability in the chemical composition of ingredients used for preparation of biscuits should be tested further.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Food Chemistry},\n\tauthor = {Vaclavik, Lukas and Capuano, Edoardo and Gökmen, Vural and Hajslova, Jana},\n\tmonth = apr,\n\tyear = {2015},\n\tpages = {290--297},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The objective of this study is the evaluation of the potential of high-throughput direct analysis in real time-high resolution mass spectrometry (DART-HRMS) fingerprinting and multivariate regression analysis in prediction of the extent of acrylamide formation in biscuit samples prepared by various recipes and baking conditions. Information-rich mass spectral fingerprints were obtained by analysis of biscuit extracts for preparation of which aqueous methanol was used. The principal component analysis (PCA) of the acquired data revealed an apparent clustering of samples according to the extent of heat-treatment applied during the baking of the biscuits. The regression model for prediction of acrylamide in biscuits was obtained by partial least square regression (PLSR) analysis of the data matrix representing combined positive and negative ionization mode fingerprints. The model provided a least root mean square error of cross validation (RMSECV) equal to an acrylamide concentration of 5.4 μg kg-1 and standard error of prediction (SEP) of 14.8 μg kg-1. The results obtained indicate that this strategy can be used to accurately predict the amounts of acrylamide formed during baking of biscuits. Such rapid estimation of acrylamide concentration can become a useful tool in evaluation of the effectivity of processes aiming at mitigation of this food processing contaminant. However, the robustness this approach with respect to variability in the chemical composition of ingredients used for preparation of biscuits should be tested further.\n
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\n \n\n \n \n \n \n \n \n Analysis of anabolic androgenic steroids by direct analysis in real time ionization with time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Prokudina, E.; Prchalová, J.; Vyšatová, E.; Kuchař, M.; Rajchl, A.; and Lapčík, O.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 392: 28–33. December 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{prokudina_analysis_2015,\n\ttitle = {Analysis of anabolic androgenic steroids by direct analysis in real time ionization with time-of-flight mass spectrometry},\n\tvolume = {392},\n\tissn = {13873806},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1387380615002730},\n\tdoi = {10.1016/j.ijms.2015.08.022},\n\tabstract = {We verified applicability of direct analysis in real time ionization coupled with a time-of-flight mass spectrometer (DART-MS) for detection of anabolic androgenic steroids in supplements and pharmaceuticals. DART-MS was optimized for the analysis of eleven frequently misused anabolic androgenic steroids and their derivatives. Real supplement tablets and injectable oil solutions were used to verify applicability of the method. It was found that anabolic androgenic steroids can be analyzed directly without any sample pre-treatment, which reduces the sample preparation time and hence the overall analysis time. The resulting DART-MS method is suitable for rapid routine qualitative screening of anabolic androgenic steroids in simple sample matrices. It has a great potential in the field of adulterated and counterfeited anabolic steroid pharmaceuticals and supplements.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Prokudina, E.A. and Prchalová, J. and Vyšatová, E. and Kuchař, M. and Rajchl, A. and Lapčík, O.},\n\tmonth = dec,\n\tyear = {2015},\n\tpages = {28--33},\n}\n\n\n\n
\n
\n\n\n
\n We verified applicability of direct analysis in real time ionization coupled with a time-of-flight mass spectrometer (DART-MS) for detection of anabolic androgenic steroids in supplements and pharmaceuticals. DART-MS was optimized for the analysis of eleven frequently misused anabolic androgenic steroids and their derivatives. Real supplement tablets and injectable oil solutions were used to verify applicability of the method. It was found that anabolic androgenic steroids can be analyzed directly without any sample pre-treatment, which reduces the sample preparation time and hence the overall analysis time. The resulting DART-MS method is suitable for rapid routine qualitative screening of anabolic androgenic steroids in simple sample matrices. It has a great potential in the field of adulterated and counterfeited anabolic steroid pharmaceuticals and supplements.\n
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\n \n\n \n \n \n \n \n \n An improved method for the determination of 5-hydroxymethylfurfural in Shenfu injection by direct analysis in real time-quadrupole time-of-flight mass spectrometry: Determination of 5-HMF in SF injection by DART-MS.\n \n \n \n \n\n\n \n Gao, W.; Qi, L.; Liu, C. C.; Wang, R.; Li, P.; and Yang, H.\n\n\n \n\n\n\n Drug Testing and Analysis,n/a–n/a. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{gao_improved_2015,\n\ttitle = {An improved method for the determination of 5-hydroxymethylfurfural in {Shenfu} injection by direct analysis in real time-quadrupole time-of-flight mass spectrometry: {Determination} of 5-{HMF} in {SF} injection by {DART}-{MS}},\n\tissn = {19427603},\n\tshorttitle = {An improved method for the determination of 5-hydroxymethylfurfural in {Shenfu} injection by direct analysis in real time-quadrupole time-of-flight mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/dta.1838},\n\tdoi = {10.1002/dta.1838},\n\tabstract = {The emergence of direct analysis in real time (DART) ion source provides the great possibility for rapid analysis of hazardous substance in drugs. DART mass spectrometry (DART-MS) enabled the conducting of a fast and non-contact analysis of various samples, including solid or liquid ones, without complex sample preparation or chromatographic separation. In this study, a modified DART-quadrupole time-of-flight mass spectrometry (DART-QTOF-MS) method was developed for identification and determination of 5-hydroxymethylfurfural (5-HMF) in Shenfu (SF) injection. The quantitative transfer of sample solution was introduced to the glass tips of DIP-it sampler at a fixed volume, which significantly increases the repeatability and accuracy of analytical results. The protonated ion of dibutyl phthalate in the atmosphere was used as the reference mass for TOF-MS recalibration during the data acquisition for constant high accuracy mass measurements. Finally, the developed DART-MS method was used to determine 5-HMF in seven batches of SF injection, and the contents of 5-HMF were not higher than 100 μg/mL. The results obtained were further confirmed by an ultra-high performance liquid chromatography combined with triple quadrupole mass spectrometer (UHPLC-QQQ-MS). The overall results demonstrated that the DART-QTOF-MS method could be applied as an alternative technique for rapid monitoring 5-HMF in herbal medicine injection.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Gao, Wen and Qi, Lian-Wen and Liu, Charles C. and Wang, Rui and Li, Ping and Yang, Hua},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {n/a--n/a},\n}\n\n\n\n
\n
\n\n\n
\n The emergence of direct analysis in real time (DART) ion source provides the great possibility for rapid analysis of hazardous substance in drugs. DART mass spectrometry (DART-MS) enabled the conducting of a fast and non-contact analysis of various samples, including solid or liquid ones, without complex sample preparation or chromatographic separation. In this study, a modified DART-quadrupole time-of-flight mass spectrometry (DART-QTOF-MS) method was developed for identification and determination of 5-hydroxymethylfurfural (5-HMF) in Shenfu (SF) injection. The quantitative transfer of sample solution was introduced to the glass tips of DIP-it sampler at a fixed volume, which significantly increases the repeatability and accuracy of analytical results. The protonated ion of dibutyl phthalate in the atmosphere was used as the reference mass for TOF-MS recalibration during the data acquisition for constant high accuracy mass measurements. Finally, the developed DART-MS method was used to determine 5-HMF in seven batches of SF injection, and the contents of 5-HMF were not higher than 100 μg/mL. The results obtained were further confirmed by an ultra-high performance liquid chromatography combined with triple quadrupole mass spectrometer (UHPLC-QQQ-MS). The overall results demonstrated that the DART-QTOF-MS method could be applied as an alternative technique for rapid monitoring 5-HMF in herbal medicine injection.\n
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\n \n\n \n \n \n \n \n \n Surface characterization and antifouling properties of nanostructured gold chips for imaging surface plasmon resonance biosensing.\n \n \n \n \n\n\n \n Joshi, S.; Pellacani, P.; van Beek, T. A.; Zuilhof, H.; and Nielen, M. W.\n\n\n \n\n\n\n Sensors and Actuators B: Chemical, 209: 505–514. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"SurfacePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{joshi_surface_2015,\n\ttitle = {Surface characterization and antifouling properties of nanostructured gold chips for imaging surface plasmon resonance biosensing},\n\tvolume = {209},\n\tissn = {09254005},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0925400514015287},\n\tdoi = {10.1016/j.snb.2014.11.133},\n\tabstract = {Surface Plasmon Resonance (SPR) optical sensing is a label-free technique for real-time monitoring of biomolecular interactions. Recently, a portable imaging SPR (iSPR) prototype instrument, featuring a nanostructured gold chip, has been developed. In the present work, we investigated the crucial first steps, prior to eventual use of the nanostructured iSPR chip, i.e., its surface modification, in-depth surface characterization and the antifouling performance. Results were compared with conventional flat (i)SPR gold chips having the same surface chemistries, viz. different types of polyethylene glycol and zwitterionic polymers. Characterization of the (i)SPR chips before and after surface modification was performed using atomic force microscopy (AFM), scanning electron microscopy (SEM), water contact angle (WCA), X-ray photoelectron spectroscopy (XPS) and direct analysis in real time high resolution mass spectrometry (DART-HRMS). The antifouling properties were then studied using the nanostructured chip in the portable iSPR instrument and the flat gold chip in conventional SPR setup. The zwitterionic polymer surface chemistries showed the best antifouling properties. Comparison of the nanostructured iSPR chips with conventional flat (i)SPR gold chips showed that the latter perform slightly better in terms of surface modification as well as antifouling properties. The portable iSPR instrument is almost as sensitive as conventional iSPR (IBIS) and nine times less sensitive than conventional SPR (Biacore 3000). The nanostructured iSPR chip, along with the portable instrument, offers the advantage of about ten-fold reduction in instrument size, weight and costs compared to conventional (i)SPR instruments using flat gold, thus making it highly interesting for future biosensing applications.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Sensors and Actuators B: Chemical},\n\tauthor = {Joshi, Sweccha and Pellacani, Paola and van Beek, Teris A. and Zuilhof, Han and Nielen, Michel W.F.},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {505--514},\n}\n\n\n\n
\n
\n\n\n
\n Surface Plasmon Resonance (SPR) optical sensing is a label-free technique for real-time monitoring of biomolecular interactions. Recently, a portable imaging SPR (iSPR) prototype instrument, featuring a nanostructured gold chip, has been developed. In the present work, we investigated the crucial first steps, prior to eventual use of the nanostructured iSPR chip, i.e., its surface modification, in-depth surface characterization and the antifouling performance. Results were compared with conventional flat (i)SPR gold chips having the same surface chemistries, viz. different types of polyethylene glycol and zwitterionic polymers. Characterization of the (i)SPR chips before and after surface modification was performed using atomic force microscopy (AFM), scanning electron microscopy (SEM), water contact angle (WCA), X-ray photoelectron spectroscopy (XPS) and direct analysis in real time high resolution mass spectrometry (DART-HRMS). The antifouling properties were then studied using the nanostructured chip in the portable iSPR instrument and the flat gold chip in conventional SPR setup. The zwitterionic polymer surface chemistries showed the best antifouling properties. Comparison of the nanostructured iSPR chips with conventional flat (i)SPR gold chips showed that the latter perform slightly better in terms of surface modification as well as antifouling properties. The portable iSPR instrument is almost as sensitive as conventional iSPR (IBIS) and nine times less sensitive than conventional SPR (Biacore 3000). The nanostructured iSPR chip, along with the portable instrument, offers the advantage of about ten-fold reduction in instrument size, weight and costs compared to conventional (i)SPR instruments using flat gold, thus making it highly interesting for future biosensing applications.\n
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\n \n\n \n \n \n \n \n \n A novel approach to determine the tyrosine concentration in human plasma by DART-MS/MS.\n \n \n \n \n\n\n \n Song, Y.; Liao, J.; Zha, C.; Wang, B.; and Liu, C. C.\n\n\n \n\n\n\n Anal. Methods, 7(4): 1600–1605. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{song_novel_2015,\n\ttitle = {A novel approach to determine the tyrosine concentration in human plasma by {DART}-{MS}/{MS}},\n\tvolume = {7},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C4AY02566K},\n\tdoi = {10.1039/C4AY02566K},\n\tabstract = {A novel method for determining the tyrosine (Tyr) concentration in human plasma using direct analysis in real time mass spectrometry (DART-MS/MS) was developed. DART-MS/MS was performed in the positive ionization mode with multiple reaction monitoring (MRM) while using the ion transitions at m/z of 182.2/136.2 (Tyr). The experimental conditions and the sample preparation method were optimized to maximize the signal intensity. The linear range was determined to be 2-50 μg mL-1 from the calibration curve. The limit of quantification (LOQ) was 2 μg mL-1. The intra- and inter-day precisions did not exceed 15\\%, and the accuracies were less than ±15\\% for the 4, 18 and 38 μg mL-1 quality control (QC) samples. In addition, the extents of the matrix effects for the QC samples were also evaluated. Using the proposed method, samples could be analyzed simultaneously. The proposed DART-MS/MS-based method is not only rapid and simple with a high throughput but is also economical, as a mobile phase is not used. Furthermore, the method was used successfully to determine the Tyr levels in the plasmas of healthy volunteers and liver cancer patients. The proposed method should also be theoretically suitable for screening newborn babies for the hereditary tyrosinemia.},\n\tlanguage = {en},\n\tnumber = {4},\n\turldate = {2016-01-28},\n\tjournal = {Anal. Methods},\n\tauthor = {Song, Yu-qiao and Liao, Jie and Zha, Cheng and Wang, Bin and Liu, Charles C.},\n\tyear = {2015},\n\tpages = {1600--1605},\n}\n\n\n\n
\n
\n\n\n
\n A novel method for determining the tyrosine (Tyr) concentration in human plasma using direct analysis in real time mass spectrometry (DART-MS/MS) was developed. DART-MS/MS was performed in the positive ionization mode with multiple reaction monitoring (MRM) while using the ion transitions at m/z of 182.2/136.2 (Tyr). The experimental conditions and the sample preparation method were optimized to maximize the signal intensity. The linear range was determined to be 2-50 μg mL-1 from the calibration curve. The limit of quantification (LOQ) was 2 μg mL-1. The intra- and inter-day precisions did not exceed 15%, and the accuracies were less than ±15% for the 4, 18 and 38 μg mL-1 quality control (QC) samples. In addition, the extents of the matrix effects for the QC samples were also evaluated. Using the proposed method, samples could be analyzed simultaneously. The proposed DART-MS/MS-based method is not only rapid and simple with a high throughput but is also economical, as a mobile phase is not used. Furthermore, the method was used successfully to determine the Tyr levels in the plasmas of healthy volunteers and liver cancer patients. The proposed method should also be theoretically suitable for screening newborn babies for the hereditary tyrosinemia.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry (DART-MS) of highly non-polar low molecular weight polyisobutylenes: DART-MS of PIBs.\n \n \n \n \n\n\n \n Nagy, L.; Nagy, T.; Deák, G.; Kuki, Á.; Antal, B.; Zsuga, M.; and Kéki, S.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 50(9): 1071–1078. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{nagy_direct_2015,\n\ttitle = {Direct analysis in real time mass spectrometry ({DART}-{MS}) of highly non-polar low molecular weight polyisobutylenes: {DART}-{MS} of {PIBs}},\n\tvolume = {50},\n\tissn = {10765174},\n\tshorttitle = {Direct analysis in real time mass spectrometry ({DART}-{MS}) of highly non-polar low molecular weight polyisobutylenes},\n\turl = {http://doi.wiley.com/10.1002/jms.3621},\n\tdoi = {10.1002/jms.3621},\n\tabstract = {Low molecular weight polyisobutylenes (PIB) with chlorine, olefin and succinic acid end-groups were studied using direct analysis in real time mass spectrometry (DART-MS). To facilitate the adduct ion formation under DART conditions, NH4Cl as an auxiliary reagent was deposited onto the PIB surface. It was found that chlorinated adduct ions of olefin and chlorine telechelic PIBs, i.e. [M + Cl]- up to m/z 1100, and the deprotonated polyisobutylene succinic acid [M-H]- were formed as observed in the negative ion mode. In the positive ion mode formation of [M + NH4]+, adduct ions were detected. In the tandem mass (MS/MS) spectra of [M + Cl]-, product ions were absent, suggesting a simple dissociation of the precursor [M + Cl]- into a Cl- ion and a neutral M without fragmentation of the PIB backbones. However, structurally important product ions were produced from the corresponding [M + NH4]+ ions, allowing us to obtain valuable information on the arm-length distributions of the PIBs containing aromatic initiator moiety. In addition, a model was developed to interpret the oligomer distributions and the number average molecular weights observed in DART-MS for PIBs and other polymers of low molecular weight.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-29},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Nagy, Lajos and Nagy, Tibor and Deák, György and Kuki, Ákos and Antal, Borbála and Zsuga, Miklós and Kéki, Sándor},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {1071--1078},\n}\n\n\n\n
\n
\n\n\n
\n Low molecular weight polyisobutylenes (PIB) with chlorine, olefin and succinic acid end-groups were studied using direct analysis in real time mass spectrometry (DART-MS). To facilitate the adduct ion formation under DART conditions, NH4Cl as an auxiliary reagent was deposited onto the PIB surface. It was found that chlorinated adduct ions of olefin and chlorine telechelic PIBs, i.e. [M + Cl]- up to m/z 1100, and the deprotonated polyisobutylene succinic acid [M-H]- were formed as observed in the negative ion mode. In the positive ion mode formation of [M + NH4]+, adduct ions were detected. In the tandem mass (MS/MS) spectra of [M + Cl]-, product ions were absent, suggesting a simple dissociation of the precursor [M + Cl]- into a Cl- ion and a neutral M without fragmentation of the PIB backbones. However, structurally important product ions were produced from the corresponding [M + NH4]+ ions, allowing us to obtain valuable information on the arm-length distributions of the PIBs containing aromatic initiator moiety. In addition, a model was developed to interpret the oligomer distributions and the number average molecular weights observed in DART-MS for PIBs and other polymers of low molecular weight.\n
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\n \n\n \n \n \n \n \n \n Trace detection and competitive ionization of erythritol tetranitrate in mixtures using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Forbes, T. P.; and Sisco, E.\n\n\n \n\n\n\n Anal. Methods, 7(8): 3632–3636. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"TracePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{forbes_trace_2015,\n\ttitle = {Trace detection and competitive ionization of erythritol tetranitrate in mixtures using direct analysis in real time mass spectrometry},\n\tvolume = {7},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C4AY02694B},\n\tdoi = {10.1039/C4AY02694B},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry (MS) was used for trace detection of the nitrate ester explosive erythritol tetranitrate (ETN) and its sugar alcohol precursor erythritol. The present investigation revealed the impact of competitive ionization between ETN, erythritol, and nitric acid for the detection of sugar alcohol-based homemade explosives. DART-MS facilitated the direct investigation of matrix effects related to the desorption process and compound volatility, as well as the ionization process, neutralization, and affinity for nitrate adduct formation. ETN and erythritol were directly detected at nanogram to sub-nanogram levels by DART-MS.},\n\tlanguage = {en},\n\tnumber = {8},\n\turldate = {2016-01-29},\n\tjournal = {Anal. Methods},\n\tauthor = {Forbes, Thomas P. and Sisco, Edward},\n\tyear = {2015},\n\tpages = {3632--3636},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) mass spectrometry (MS) was used for trace detection of the nitrate ester explosive erythritol tetranitrate (ETN) and its sugar alcohol precursor erythritol. The present investigation revealed the impact of competitive ionization between ETN, erythritol, and nitric acid for the detection of sugar alcohol-based homemade explosives. DART-MS facilitated the direct investigation of matrix effects related to the desorption process and compound volatility, as well as the ionization process, neutralization, and affinity for nitrate adduct formation. ETN and erythritol were directly detected at nanogram to sub-nanogram levels by DART-MS.\n
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\n \n\n \n \n \n \n \n \n Spatial localisation of curcumin and rapid screening of the chemical compositions of turmeric rhizomes (Curcuma longa Linn.) using Direct Analysis in Real Time-Mass Spectrometry (DART-MS).\n \n \n \n \n\n\n \n Rahman, A. M.; Angawi, R. F.; and Kadi, A. A.\n\n\n \n\n\n\n Food Chemistry, 173: 489–494. April 2015.\n \n\n\n\n
\n\n\n\n \n \n \"SpatialPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{rahman_spatial_2015,\n\ttitle = {Spatial localisation of curcumin and rapid screening of the chemical compositions of turmeric rhizomes ({Curcuma} longa {Linn}.) using {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry} ({DART}-{MS})},\n\tvolume = {173},\n\tissn = {03088146},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0308814614016112},\n\tdoi = {10.1016/j.foodchem.2014.10.049},\n\tabstract = {Curcumin is a potent antioxidant agent having versatile biological activities is present in turmeric rhizomes (Curcuma longa Linn.). Powder of turmeric rhizomes is consumes as curry spicy worldwide, especially in Asia. In this study, we demonstrate that, bioactive curcumin and its analog demethoxycurcumin are chiefly concentrated in the pith rather than the other parts of the turmeric rhizomes and it was discovered using modern atmospheric ionisation source 'Direct Analysis in Real Time' (DART) connected with an Ion Trap Mass Spectrometry. In addition, all the major components present in turmeric rhizomes were detected in positive and/or in negative ion mode using DART.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Food Chemistry},\n\tauthor = {Rahman, A.F.M. Motiur and Angawi, Rihab F. and Kadi, Adnan A.},\n\tmonth = apr,\n\tyear = {2015},\n\tpages = {489--494},\n}\n\n\n\n
\n
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\n Curcumin is a potent antioxidant agent having versatile biological activities is present in turmeric rhizomes (Curcuma longa Linn.). Powder of turmeric rhizomes is consumes as curry spicy worldwide, especially in Asia. In this study, we demonstrate that, bioactive curcumin and its analog demethoxycurcumin are chiefly concentrated in the pith rather than the other parts of the turmeric rhizomes and it was discovered using modern atmospheric ionisation source 'Direct Analysis in Real Time' (DART) connected with an Ion Trap Mass Spectrometry. In addition, all the major components present in turmeric rhizomes were detected in positive and/or in negative ion mode using DART.\n
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\n \n\n \n \n \n \n \n \n An approach of evaluating the effect of vinylene carbonate additive on graphite anode for lithium ion battery at elevated temperature.\n \n \n \n \n\n\n \n Liu, Y.; Takeda, S.; Kaneko, I.; Yoshitake, H.; Yanagida, M.; Saito, Y.; and Sakai, T.\n\n\n \n\n\n\n Electrochemistry Communications, 61: 70–73. December 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{liu_approach_2015,\n\ttitle = {An approach of evaluating the effect of vinylene carbonate additive on graphite anode for lithium ion battery at elevated temperature},\n\tvolume = {61},\n\tissn = {13882481},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1388248115002891},\n\tdoi = {10.1016/j.elecom.2015.10.008},\n\tabstract = {An approach is proposed to evaluate the VC effect in a LiFePO4/graphite cell at 60 °C through liquid chromatography mass spectrometry (LC-MS) together with direct analysis in real time mass spectrometry (DART-MS). The LC-MS result shows that VC can effectively suppress the formation of phosphate esters as well as carbonate oligomers during the electrochemical cycling. It is also known from DART-MS analysis that VC assists the formation of thermally resistant oligomeric phosphate ester layer on the graphite surface, storing more solvent EC inside the layer. On the other hand, no compounds are observed on the LiFePO4 cathode surface. The formation of the denser oligomeric phosphate ester layer is found to be the reason for the improved cycle stability of the cell cycled at elevated temperature.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Electrochemistry Communications},\n\tauthor = {Liu, Yi-Hung and Takeda, Sahori and Kaneko, Ikue and Yoshitake, Hideya and Yanagida, Masahiro and Saito, Yuria and Sakai, Tetsuo},\n\tmonth = dec,\n\tyear = {2015},\n\tpages = {70--73},\n}\n\n\n\n
\n
\n\n\n
\n An approach is proposed to evaluate the VC effect in a LiFePO4/graphite cell at 60 °C through liquid chromatography mass spectrometry (LC-MS) together with direct analysis in real time mass spectrometry (DART-MS). The LC-MS result shows that VC can effectively suppress the formation of phosphate esters as well as carbonate oligomers during the electrochemical cycling. It is also known from DART-MS analysis that VC assists the formation of thermally resistant oligomeric phosphate ester layer on the graphite surface, storing more solvent EC inside the layer. On the other hand, no compounds are observed on the LiFePO4 cathode surface. The formation of the denser oligomeric phosphate ester layer is found to be the reason for the improved cycle stability of the cell cycled at elevated temperature.\n
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\n \n\n \n \n \n \n \n \n Identification of bacteria by fatty acid profiling with direct analysis in real time mass spectrometry: Bacteria identification by DART fatty acid profiling.\n \n \n \n \n\n\n \n Cody, R. B.; McAlpin, C. R.; Cox, C. R.; Jensen, K. R.; and Voorhees, K. J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(21): 2007–2012. November 2015.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cody_identification_2015,\n\ttitle = {Identification of bacteria by fatty acid profiling with direct analysis in real time mass spectrometry: {Bacteria} identification by {DART} fatty acid profiling},\n\tvolume = {29},\n\tissn = {09514198},\n\tshorttitle = {Identification of bacteria by fatty acid profiling with direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7309},\n\tdoi = {10.1002/rcm.7309},\n\tabstract = {Rationale Bacterial fatty acid profiling is a well-established technique for bacterial identification. Current methods involving esterification and gas chromatography/mass spectrometry (GC/MS) or matrix-assisted laser desorption/ionization (MALDI) analysis are effective, but there are potential benefits to be gained by investigating ambient ionization methods that can provide rapid analysis without derivatization or additional sample handling. Methods Lipid extracts from colonies of five Gram-positive and five Gram-negative pathogenic bacteria were analyzed by Direct Analysis in Real Time (DART) ionization coupled with a time-of-flight mass spectrometer. Fatty acid profiles were obtained from the negative-ion DART mass spectra without additional derivatization or sample preparation. Results Fatty acid profiles obtained from the deprotonated molecules [M - H]- were found to be highly species-specific and reproducible. Leave-one-out cross validation (LOOCV) for principal component analysis (PCA) showed 100\\% correct classification accuracy. Conclusions The results of this preliminary feasibility study show good precision and accuracy, and the fatty acid patterns are clearly distinctive for each of the ten species examined. The speed and ease of analysis and the high classification accuracy for this initial study indicate that DART is an effective method for bacterial fatty acid profiling.},\n\tlanguage = {en},\n\tnumber = {21},\n\turldate = {2016-01-29},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Cody, Robert B. and McAlpin, Casey R. and Cox, Christopher R. and Jensen, Kirk R. and Voorhees, Kent J.},\n\tmonth = nov,\n\tyear = {2015},\n\tpages = {2007--2012},\n}\n\n\n\n
\n
\n\n\n
\n Rationale Bacterial fatty acid profiling is a well-established technique for bacterial identification. Current methods involving esterification and gas chromatography/mass spectrometry (GC/MS) or matrix-assisted laser desorption/ionization (MALDI) analysis are effective, but there are potential benefits to be gained by investigating ambient ionization methods that can provide rapid analysis without derivatization or additional sample handling. Methods Lipid extracts from colonies of five Gram-positive and five Gram-negative pathogenic bacteria were analyzed by Direct Analysis in Real Time (DART) ionization coupled with a time-of-flight mass spectrometer. Fatty acid profiles were obtained from the negative-ion DART mass spectra without additional derivatization or sample preparation. Results Fatty acid profiles obtained from the deprotonated molecules [M - H]- were found to be highly species-specific and reproducible. Leave-one-out cross validation (LOOCV) for principal component analysis (PCA) showed 100% correct classification accuracy. Conclusions The results of this preliminary feasibility study show good precision and accuracy, and the fatty acid patterns are clearly distinctive for each of the ten species examined. The speed and ease of analysis and the high classification accuracy for this initial study indicate that DART is an effective method for bacterial fatty acid profiling.\n
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\n \n\n \n \n \n \n \n \n Aspects of surface scanning by direct analysis in real time mass spectrometry employing plasma glow visualization: DART-MS surface analysis with plasma glow.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(13): 1242–1252. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AspectsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_aspects_2015,\n\ttitle = {Aspects of surface scanning by direct analysis in real time mass spectrometry employing plasma glow visualization: {DART}-{MS} surface analysis with plasma glow},\n\tvolume = {29},\n\tissn = {09514198},\n\tshorttitle = {Aspects of surface scanning by direct analysis in real time mass spectrometry employing plasma glow visualization},\n\turl = {http://doi.wiley.com/10.1002/rcm.7221},\n\tdoi = {10.1002/rcm.7221},\n\tabstract = {Rationale Visual monitoring of the Direct Analysis in Real Time (DART) gas impact region during sampling was demonstrated via its metastable plasma glow. It is known that adding neon into helium for DART leads to plasma glow, but this effect has not been used in practice and discussed in the literature so far. Methods A single quadrupole mass spectrometer with a DART SVPA ion source was used for recording of DART mass spectra from different surfaces, using galangin and p-coumaric acid as model analytes. In specific cases, the composition of the mass spectra was clarified using an Orbitrap mass spectrometer. Results Plasma glow visualization made it possible to track the metastable gas distributions during surface scanning. The influence on the composition of the mass spectra was studied for different carrier gases, i.e. pure helium versus a helium-neon mixture, and for the vacuum pumping rate. The spatial resolution was substantially improved via a DART cap with a narrowed internal diameter, but impaired by a decreased sensitivity. Comparably low signal intensities were obtained for analytes on porous layers due to analyte penetration and metastable gas scattering. Conclusions Visualization through the plasma glow enables the optimal selection of the coordinates for DART-MS analysis and thus it will support scanning and imaging MS on surfaces, including porous planar chromatographic separation materials.},\n\tlanguage = {en},\n\tnumber = {13},\n\turldate = {2016-01-29},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {1242--1252},\n}\n\n\n\n
\n
\n\n\n
\n Rationale Visual monitoring of the Direct Analysis in Real Time (DART) gas impact region during sampling was demonstrated via its metastable plasma glow. It is known that adding neon into helium for DART leads to plasma glow, but this effect has not been used in practice and discussed in the literature so far. Methods A single quadrupole mass spectrometer with a DART SVPA ion source was used for recording of DART mass spectra from different surfaces, using galangin and p-coumaric acid as model analytes. In specific cases, the composition of the mass spectra was clarified using an Orbitrap mass spectrometer. Results Plasma glow visualization made it possible to track the metastable gas distributions during surface scanning. The influence on the composition of the mass spectra was studied for different carrier gases, i.e. pure helium versus a helium-neon mixture, and for the vacuum pumping rate. The spatial resolution was substantially improved via a DART cap with a narrowed internal diameter, but impaired by a decreased sensitivity. Comparably low signal intensities were obtained for analytes on porous layers due to analyte penetration and metastable gas scattering. Conclusions Visualization through the plasma glow enables the optimal selection of the coordinates for DART-MS analysis and thus it will support scanning and imaging MS on surfaces, including porous planar chromatographic separation materials.\n
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\n\n\n
\n \n\n \n \n \n \n \n \n Quantitative analysis of phosphoric acid esters in aqueous samples by isotope dilution stir-bar sorptive extraction combined with direct analysis in real time (DART)-Orbitrap mass spectrometry.\n \n \n \n \n\n\n \n Bridoux, M. C.; Malandain, H.; Leprince, F.; Progent, F.; and Machuron-Mandard, X.\n\n\n \n\n\n\n Analytica Chimica Acta, 869: 1–10. April 2015.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bridoux_quantitative_2015,\n\ttitle = {Quantitative analysis of phosphoric acid esters in aqueous samples by isotope dilution stir-bar sorptive extraction combined with direct analysis in real time ({DART})-{Orbitrap} mass spectrometry},\n\tvolume = {869},\n\tissn = {00032670},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0003267015000434},\n\tdoi = {10.1016/j.aca.2015.01.010},\n\tabstract = {A novel hyphenated technique, namely the combination of stir bar sorptive extraction (SBSE) with isotope dilution direct analysis in real time (DART) Orbitrap™ mass spectrometry (OT-MS) is presented for the extraction of phosphoric acid alkyl esters (tri- (TnBP), di- (HDBP), and mono-butyl phosphate (H2MBP)) from aqueous samples. First, SBSE of phosphate esters was performed using a Twister™ coated with 24μL of polydimethylsiloxane (PDMS) as the extracting phase. SBSE was optimized for extraction pH, phase ratio (PDMS volume/aqueous phase volume), stirring speed, extraction time and temperature. Then, coupling of SBSE to DART/Orbitrap-MS was achieved by placing the Twister™ in the middle of an open-ended glass tube between the DART and the Orbitrap™. The DART mass spectrometric response of phosphate esters was probed using commercially available and synthesized alkyl phosphate ester standards. The positive ion full scan spectra of alkyl phosphate triesters (TnBP) was characterized by the product of self-protonation [M+H]+ and, during collision-induced dissociation (CID), the major fragmentation ions corresponded to consecutive loss of alkyl chains. Negative ionization gave abundant [M-H]- ions for both HDnBP and H2MnBP. Twisters™ coated with PDMS successfully extracted phosphate acid esters (tri-, di- and mono-esters) granted that the analytes are present in the aqueous solution in the neutral form. SBSE/DART/Orbitrap-MS results show a good linearity between the concentrations and relative peak areas for the analytes in the concentration range studied (0.1-750ngmL-1). Reproducibility of this SBSE/DART/Orbitrap-MS method was evaluated in terms of \\%RSD by extracting a sample of water fortified with the analytes. The \\%RSDs for TnBP, HDnBP and H2MnBP were 4, 3 and 3\\% (n=5) using the respective perdeuterated internal standards. Matrix effects were investigated by matrix matched calibration standards using underground water samples (UWS) and river water samples (RWS). Matrix effects were effectively compensated by the addition of the perdeuterated internal standards. The application of this new SBSE/DART/Orbitrap-MS method should be very valuable for on-site sampling/monitoring, limiting the transport of large volumes of water samples from the sampling site to the laboratory.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Bridoux, Maxime C. and Malandain, Hélène and Leprince, Françoise and Progent, Frédéric and Machuron-Mandard, Xavier},\n\tmonth = apr,\n\tyear = {2015},\n\tpages = {1--10},\n}\n\n\n\n
\n
\n\n\n
\n A novel hyphenated technique, namely the combination of stir bar sorptive extraction (SBSE) with isotope dilution direct analysis in real time (DART) Orbitrap™ mass spectrometry (OT-MS) is presented for the extraction of phosphoric acid alkyl esters (tri- (TnBP), di- (HDBP), and mono-butyl phosphate (H2MBP)) from aqueous samples. First, SBSE of phosphate esters was performed using a Twister™ coated with 24μL of polydimethylsiloxane (PDMS) as the extracting phase. SBSE was optimized for extraction pH, phase ratio (PDMS volume/aqueous phase volume), stirring speed, extraction time and temperature. Then, coupling of SBSE to DART/Orbitrap-MS was achieved by placing the Twister™ in the middle of an open-ended glass tube between the DART and the Orbitrap™. The DART mass spectrometric response of phosphate esters was probed using commercially available and synthesized alkyl phosphate ester standards. The positive ion full scan spectra of alkyl phosphate triesters (TnBP) was characterized by the product of self-protonation [M+H]+ and, during collision-induced dissociation (CID), the major fragmentation ions corresponded to consecutive loss of alkyl chains. Negative ionization gave abundant [M-H]- ions for both HDnBP and H2MnBP. Twisters™ coated with PDMS successfully extracted phosphate acid esters (tri-, di- and mono-esters) granted that the analytes are present in the aqueous solution in the neutral form. SBSE/DART/Orbitrap-MS results show a good linearity between the concentrations and relative peak areas for the analytes in the concentration range studied (0.1-750ngmL-1). Reproducibility of this SBSE/DART/Orbitrap-MS method was evaluated in terms of %RSD by extracting a sample of water fortified with the analytes. The %RSDs for TnBP, HDnBP and H2MnBP were 4, 3 and 3% (n=5) using the respective perdeuterated internal standards. Matrix effects were investigated by matrix matched calibration standards using underground water samples (UWS) and river water samples (RWS). Matrix effects were effectively compensated by the addition of the perdeuterated internal standards. The application of this new SBSE/DART/Orbitrap-MS method should be very valuable for on-site sampling/monitoring, limiting the transport of large volumes of water samples from the sampling site to the laboratory.\n
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\n \n\n \n \n \n \n \n \n Combination of Solid-Phase Micro-Extraction and Direct Analysis in Real Time-Fourier Transform Ion Cyclotron Resonance Mass Spectrometry for Sensitive and Rapid Analysis of 15 Phthalate Plasticizers in Beverages.\n \n \n \n \n\n\n \n Wu, M.; Wang, H.; Dong, G.; Musselman, B. D.; Liu, C. C.; and Guo, Y.\n\n\n \n\n\n\n Chinese Journal of Chemistry, 33(2): 213–219. February 2015.\n \n\n\n\n
\n\n\n\n \n \n \"CombinationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wu_combination_2015,\n\ttitle = {Combination of {Solid}-{Phase} {Micro}-{Extraction} and {Direct} {Analysis} in {Real} {Time}-{Fourier} {Transform} {Ion} {Cyclotron} {Resonance} {Mass} {Spectrometry} for {Sensitive} and {Rapid} {Analysis} of 15 {Phthalate} {Plasticizers} in {Beverages}},\n\tvolume = {33},\n\tissn = {1001604X},\n\turl = {http://doi.wiley.com/10.1002/cjoc.201400564},\n\tdoi = {10.1002/cjoc.201400564},\n\tabstract = {A method for rapid identification and quantification of phthalate plasticizers in beverages was developed. A number of 15 phthalate plasticizers which covered all the phthalates concerned in the US Consumer Product Safety Improvement Act (CPSIA), European Union legislations and Chinese national standards (GB) were analyzed. By a combined solid-phase micro-extraction (SPME) and direct analysis in real time mass spectrometry (DART-MS) approach, phthalates at sub-ng·mL?1 levels can be qualitatively and quantitatively analyzed in a short time. The use of ultrahigh-resolving power and the accurate mass measurement capacity naturally provided by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) minimizes the matrix interferences and thus enables the evaluation of phthalates in a complex matrix without extensive sample handlings or preparations. The limits of quantification (LOQs) were estimated to be at 0.3?5.0 ng·mL?1, lower than the Maximum Residue Limit (MRL) regulated by the European Union legislations (2007/19/EC) in foods, beverages, food packaging and toys (0.3?30 ng·mL?1). This rapid and easy-to-use SPME-DART-FT-ICR-MS method provided a relatively high-throughput and powerful analytical approach for quick testing and screening phthalates in beverages and water samples to ensure food safety.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-01-28},\n\tjournal = {Chinese Journal of Chemistry},\n\tauthor = {Wu, Mengxi and Wang, Haoyang and Dong, Guoqing and Musselman, Brian D. and Liu, Charles C. and Guo, Yinlong},\n\tmonth = feb,\n\tyear = {2015},\n\tpages = {213--219},\n}\n\n\n\n
\n
\n\n\n
\n A method for rapid identification and quantification of phthalate plasticizers in beverages was developed. A number of 15 phthalate plasticizers which covered all the phthalates concerned in the US Consumer Product Safety Improvement Act (CPSIA), European Union legislations and Chinese national standards (GB) were analyzed. By a combined solid-phase micro-extraction (SPME) and direct analysis in real time mass spectrometry (DART-MS) approach, phthalates at sub-ng·mL?1 levels can be qualitatively and quantitatively analyzed in a short time. The use of ultrahigh-resolving power and the accurate mass measurement capacity naturally provided by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) minimizes the matrix interferences and thus enables the evaluation of phthalates in a complex matrix without extensive sample handlings or preparations. The limits of quantification (LOQs) were estimated to be at 0.3?5.0 ng·mL?1, lower than the Maximum Residue Limit (MRL) regulated by the European Union legislations (2007/19/EC) in foods, beverages, food packaging and toys (0.3?30 ng·mL?1). This rapid and easy-to-use SPME-DART-FT-ICR-MS method provided a relatively high-throughput and powerful analytical approach for quick testing and screening phthalates in beverages and water samples to ensure food safety.\n
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\n \n\n \n \n \n \n \n \n Application of Direct Analysis in Real Time-Mass Spectrometry (DART-MS) to the Study of Gas–Surface Heterogeneous Reactions: Focus on Ozone and PAHs.\n \n \n \n \n\n\n \n Zhou, S.; Forbes, M. W.; and Abbatt, J. P. D.\n\n\n \n\n\n\n Analytical Chemistry, 87(9): 4733–4740. May 2015.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhou_application_2015,\n\ttitle = {Application of {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry} ({DART}-{MS}) to the {Study} of {Gas}–{Surface} {Heterogeneous} {Reactions}: {Focus} on {Ozone} and {PAHs}},\n\tvolume = {87},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Application of {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry} ({DART}-{MS}) to the {Study} of {Gas}–{Surface} {Heterogeneous} {Reactions}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac504722z},\n\tdoi = {10.1021/ac504722z},\n\tabstract = {A novel analytical method is presented whereby Direct Analysis in Real Time-Mass Spectrometry (DART-MS) is applied to the study of gas-surface heterogeneous reactions. To illustrate the capabilities of the approach, the kinetics of a well-studied reaction of surface-bound polycyclic aromatic hydrocarbons with ozone are presented. Specifically, using helium as the reagent gas and with the DART heater temperature of 500 °C, nanogram quantities of benzo[e]pyrene (BeP) deposited on the outside of glass melting point capillary tubes were analyzed in positive ion mode with a limit of detection of 40 pg. Using bis(2-ethylhexyl) sebacate as an internal standard, the kinetics of the ozone-BeP reaction were assessed by determining the surface-bound BeP decays, after oxidation in an off-line reaction cell. The reaction is demonstrated to follow the Langmuir-Hinshelwood mechanism, known to prevail for heterogeneous reactions of this type. In addition, a wide array of oxygenated, condensed-phase products has been observed. The present work demonstrates the capability of the DART-MS technique to investigate the heterogeneous chemistry taking place on a wide range of surfaces, such as those that form in both outdoor and indoor environments.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-29},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Zhou, Shouming and Forbes, Matthew W. and Abbatt, Jonathan P. D.},\n\tmonth = may,\n\tyear = {2015},\n\tpages = {4733--4740},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n A novel analytical method is presented whereby Direct Analysis in Real Time-Mass Spectrometry (DART-MS) is applied to the study of gas-surface heterogeneous reactions. To illustrate the capabilities of the approach, the kinetics of a well-studied reaction of surface-bound polycyclic aromatic hydrocarbons with ozone are presented. Specifically, using helium as the reagent gas and with the DART heater temperature of 500 °C, nanogram quantities of benzo[e]pyrene (BeP) deposited on the outside of glass melting point capillary tubes were analyzed in positive ion mode with a limit of detection of 40 pg. Using bis(2-ethylhexyl) sebacate as an internal standard, the kinetics of the ozone-BeP reaction were assessed by determining the surface-bound BeP decays, after oxidation in an off-line reaction cell. The reaction is demonstrated to follow the Langmuir-Hinshelwood mechanism, known to prevail for heterogeneous reactions of this type. In addition, a wide array of oxygenated, condensed-phase products has been observed. The present work demonstrates the capability of the DART-MS technique to investigate the heterogeneous chemistry taking place on a wide range of surfaces, such as those that form in both outdoor and indoor environments.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry of fused ring heterocyclic organometallic compounds.\n \n \n \n \n\n\n \n Mazzotta, M. G.; Young, J. O. E.; Evans, J. W.; Dopierala, L. A.; Claytor, Z. A.; Smith, A. C.; Snyder, C.; Tice, N. C.; and Smith, D. L.\n\n\n \n\n\n\n Anal. Methods, 7(9): 4003–4007. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{mazzotta_direct_2015,\n\ttitle = {Direct analysis in real time mass spectrometry of fused ring heterocyclic organometallic compounds},\n\tvolume = {7},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C5AY00295H},\n\tdoi = {10.1039/C5AY00295H},\n\tabstract = {Direct analysis in real time (DART) was able to desorb/ionize a series of fused-ring heterocyclic organometallic compounds to allow molecular analysis using a linear ion-trap mass spectrometer. Limited data is available pertaining to the use of ambient ionization with organometallic compounds but the developed analytical method allowed direct sampling of solutions prepared from pure organometallic compounds in dichloromethane to generate signals in the positive mode. A protonated molecule was detected (even when a charged ring structure was present) but signal intensity was dependent on the organometallic compound with respect to the specific metal-ligand interaction of the molecule as well as the helium gas temperature in the DART ion source. In addition, dimer formation for compounds was also observed. Tandem mass spectrometry was also possible to verify the tricarbonyl groups from the organometallic compound and show relative differences with respect to metal coordination. The desorption/ionization of these heterocyclic organometallic compounds with DART potentially gives synthetic chemists another ionization choice for rapid reaction product monitoring.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-29},\n\tjournal = {Anal. Methods},\n\tauthor = {Mazzotta, Michael G. and Young, Jason O. E. and Evans, Jesse W. and Dopierala, Levi A. and Claytor, Zachariah. A. and Smith, Adam C. and Snyder, Chad and Tice, Nathan C. and Smith, Darrin L.},\n\tyear = {2015},\n\tpages = {4003--4007},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) was able to desorb/ionize a series of fused-ring heterocyclic organometallic compounds to allow molecular analysis using a linear ion-trap mass spectrometer. Limited data is available pertaining to the use of ambient ionization with organometallic compounds but the developed analytical method allowed direct sampling of solutions prepared from pure organometallic compounds in dichloromethane to generate signals in the positive mode. A protonated molecule was detected (even when a charged ring structure was present) but signal intensity was dependent on the organometallic compound with respect to the specific metal-ligand interaction of the molecule as well as the helium gas temperature in the DART ion source. In addition, dimer formation for compounds was also observed. Tandem mass spectrometry was also possible to verify the tricarbonyl groups from the organometallic compound and show relative differences with respect to metal coordination. The desorption/ionization of these heterocyclic organometallic compounds with DART potentially gives synthetic chemists another ionization choice for rapid reaction product monitoring.\n
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\n \n\n \n \n \n \n \n \n Determination of Dicyandiamide in Powdered Milk Using Direct Analysis in Real Time Quadrupole Time-of-Flight Tandem Mass Spectrometry.\n \n \n \n \n\n\n \n Zhang, L.; Yong, W.; Liu, J.; Wang, S.; Chen, Q.; Guo, T.; Zhang, J.; Tan, T.; Su, H.; and Dong, Y.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 26(8): 1414–1422. August 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhang_determination_2015,\n\ttitle = {Determination of {Dicyandiamide} in {Powdered} {Milk} {Using} {Direct} {Analysis} in {Real} {Time} {Quadrupole} {Time}-of-{Flight} {Tandem} {Mass} {Spectrometry}},\n\tvolume = {26},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-015-1142-x},\n\tdoi = {10.1007/s13361-015-1142-x},\n\tabstract = {The direct analysis in real time (DART) ionization source coupled with quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples without sample cleanup or chromatographic separation. In this work, a method based on DART/Q-TOF MS/MS has been developed for rapid identification of dicyandiamide (DCD) present in powdered milk. Simple sample extraction procedure employing acetonitrile-water (80:20, v/v) mixture was followed by direct, high-throughput determination of sample extracts spread on a steel mesh of the transmission module by mass spectrometry under ambient conditions. The method has been evaluated for both qualitative and quantitative analysis of DCD in powdered milk. Variables including experimental apparatus, DART gas heater temperature, sample presentation speed, and vacuum pressure were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision, and accuracy by using external standards. After optimization of these parameters, a limit of detection (LOD) of 100 μg kg-1 was obtained for DCD with a linear working range from 100 to 10000 μg kg-1 and a satisfactory correlation coefficient (R2) of 0.9997. Good recovery (80.08\\%-106.47\\%) and repeatability (RSD∈=∈3.0\\%-5.4\\%) were achieved for DCD. The DART/Q-TOF MS/MS-based method provides a rapid, efficient, and powerful scheme to analyze DCD in powdered milk with limited sample preparation, thus reducing time and complexity of quality control.},\n\tlanguage = {en},\n\tnumber = {8},\n\turldate = {2016-01-29},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Zhang, Liya and Yong, Wei and Liu, Jiahui and Wang, Sai and Chen, Qilong and Guo, Tianyang and Zhang, Jichuan and Tan, Tianwei and Su, Haijia and Dong, Yiyang},\n\tmonth = aug,\n\tyear = {2015},\n\tpages = {1414--1422},\n}\n\n\n\n
\n
\n\n\n
\n The direct analysis in real time (DART) ionization source coupled with quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples without sample cleanup or chromatographic separation. In this work, a method based on DART/Q-TOF MS/MS has been developed for rapid identification of dicyandiamide (DCD) present in powdered milk. Simple sample extraction procedure employing acetonitrile-water (80:20, v/v) mixture was followed by direct, high-throughput determination of sample extracts spread on a steel mesh of the transmission module by mass spectrometry under ambient conditions. The method has been evaluated for both qualitative and quantitative analysis of DCD in powdered milk. Variables including experimental apparatus, DART gas heater temperature, sample presentation speed, and vacuum pressure were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision, and accuracy by using external standards. After optimization of these parameters, a limit of detection (LOD) of 100 μg kg-1 was obtained for DCD with a linear working range from 100 to 10000 μg kg-1 and a satisfactory correlation coefficient (R2) of 0.9997. Good recovery (80.08%-106.47%) and repeatability (RSD∈=∈3.0%-5.4%) were achieved for DCD. The DART/Q-TOF MS/MS-based method provides a rapid, efficient, and powerful scheme to analyze DCD in powdered milk with limited sample preparation, thus reducing time and complexity of quality control.\n
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\n \n\n \n \n \n \n \n \n Plant Seed Species Identification from Chemical Fingerprints: A High-Throughput Application of Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Lesiak, A. D.; Cody, R. B.; Dane, A. J.; and Musah, R. A.\n\n\n \n\n\n\n Analytical Chemistry, 87(17): 8748–8757. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"PlantPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_plant_2015,\n\ttitle = {Plant {Seed} {Species} {Identification} from {Chemical} {Fingerprints}: {A} {High}-{Throughput} {Application} of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {87},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Plant {Seed} {Species} {Identification} from {Chemical} {Fingerprints}},\n\turl = {http://pubs.acs.org/doi/10.1021/acs.analchem.5b01611},\n\tdoi = {10.1021/acs.analchem.5b01611},\n\tabstract = {Plant species identification based on the morphological features of plant parts is a well-established science in botany. However, species identification from seeds has largely been unexplored, despite the fact that the seeds contain all of the genetic information that distinguishes one plant from another. Using seeds of genus Datura plants, we show here that the mass spectrum-derived chemical fingerprints for seeds of the same species are similar. On the other hand, seeds from different species within the same genus display distinct chemical signatures, even though they may contain similar characteristic biomarkers. The intraspecies chemical signature similarities on the one hand, and interspecies fingerprint differences on the other, can be processed by multivariate statistical analysis methods to enable rapid species-level identification and differentiation. The chemical fingerprints can be acquired rapidly and in a high-throughput manner by direct analysis in real time mass spectrometry (DART-MS) analysis of the seeds in their native form, without use of a solvent extract. Importantly, knowledge of the identity of the detected molecules is not required for species level identification. However, confirmation of the presence within the seeds of various characteristic tropane and other alkaloids, including atropine, scopolamine, scopoline, tropine, tropinone, and tyramine, was accomplished by comparison of the in-source collision-induced dissociation (CID) fragmentation patterns of authentic standards, to the fragmentation patterns observed in the seeds when analyzed under similar in-source CID conditions. The advantages, applications, and implications of the chemometric processing of DART-MS derived seed chemical signatures for species level identification and differentiation are discussed.},\n\tlanguage = {en},\n\tnumber = {17},\n\turldate = {2016-01-28},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Lesiak, Ashton D. and Cody, Robert B. and Dane, A. John and Musah, Rabi A.},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {8748--8757},\n}\n\n\n\n
\n
\n\n\n
\n Plant species identification based on the morphological features of plant parts is a well-established science in botany. However, species identification from seeds has largely been unexplored, despite the fact that the seeds contain all of the genetic information that distinguishes one plant from another. Using seeds of genus Datura plants, we show here that the mass spectrum-derived chemical fingerprints for seeds of the same species are similar. On the other hand, seeds from different species within the same genus display distinct chemical signatures, even though they may contain similar characteristic biomarkers. The intraspecies chemical signature similarities on the one hand, and interspecies fingerprint differences on the other, can be processed by multivariate statistical analysis methods to enable rapid species-level identification and differentiation. The chemical fingerprints can be acquired rapidly and in a high-throughput manner by direct analysis in real time mass spectrometry (DART-MS) analysis of the seeds in their native form, without use of a solvent extract. Importantly, knowledge of the identity of the detected molecules is not required for species level identification. However, confirmation of the presence within the seeds of various characteristic tropane and other alkaloids, including atropine, scopolamine, scopoline, tropine, tropinone, and tyramine, was accomplished by comparison of the in-source collision-induced dissociation (CID) fragmentation patterns of authentic standards, to the fragmentation patterns observed in the seeds when analyzed under similar in-source CID conditions. The advantages, applications, and implications of the chemometric processing of DART-MS derived seed chemical signatures for species level identification and differentiation are discussed.\n
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\n \n\n \n \n \n \n \n \n Metabolic chemotypes of CITES protected Dalbergia timbers from Africa, Madagascar, and Asia: Metabolic chemotypes of Dalbergia.\n \n \n \n \n\n\n \n McClure, P. J.; Chavarria, G. D.; and Espinoza, E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(9): 783–788. May 2015.\n \n\n\n\n
\n\n\n\n \n \n \"MetabolicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{mcclure_metabolic_2015,\n\ttitle = {Metabolic chemotypes of {CITES} protected {Dalbergia} timbers from {Africa}, {Madagascar}, and {Asia}: {Metabolic} chemotypes of {Dalbergia}},\n\tvolume = {29},\n\tissn = {09514198},\n\tshorttitle = {Metabolic chemotypes of {CITES} protected \\textit{{Dalbergia}} timbers from {Africa}, {Madagascar}, and {Asia}},\n\turl = {http://doi.wiley.com/10.1002/rcm.7163},\n\tdoi = {10.1002/rcm.7163},\n\tabstract = {Rationale: The genus Dalbergia includes approximately 250 species worldwide. Of these, 58 species are of economic importance and listed under CITES. Identification of illegal transnational timber trade is a challenge because logs or boards lack the typical descriptors used for species identification such as leaves and flowers; therefore, frequently the lowest taxonomic determination of these tree byproducts is genus. In this study, we explore the use of Direct Analysis in Real Time (DART) Time-Of-Flight Mass Spectrometry (TOFMS) in making species determinations of protected Dalbergia trees from Africa, Madagascar, and Asia. Methods: Metabolic profiles were collected using DART TOFMS from the heartwood of seven species and the sapwood of 17 species of Dalbergia. Also included in this study are 85 Dalbergia heartwood samples from Madagascar that were only identified to genus. In all, 21 species comprising 235 specimens were analyzed, the metabolic chemotypes were interpreted, and the spectra were analyzed using chemometric tools. Results: Dalbergia cochinchinensis and Dalbergia spp. from Madagascar (both CITES Appendix II) could be differentiated from each other and from the non-protected Dalbergia latifolia and Dalbergia melanoxylon. Conclusions: DART TOFMS is a valuable high-throughput tool useful for making phytochemical classifications of Dalbergia spp. The data produced allows the protected Dalbergias from Madagascar to be distinguished and can differentiate closely related rosewood trees. Published in 2015. This article is a U.S. Government work and is in the public domain in the USA.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-29},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {McClure, Pamela J. and Chavarria, Gabriela D. and Espinoza, Edgard},\n\tmonth = may,\n\tyear = {2015},\n\tpages = {783--788},\n}\n\n\n\n
\n
\n\n\n
\n Rationale: The genus Dalbergia includes approximately 250 species worldwide. Of these, 58 species are of economic importance and listed under CITES. Identification of illegal transnational timber trade is a challenge because logs or boards lack the typical descriptors used for species identification such as leaves and flowers; therefore, frequently the lowest taxonomic determination of these tree byproducts is genus. In this study, we explore the use of Direct Analysis in Real Time (DART) Time-Of-Flight Mass Spectrometry (TOFMS) in making species determinations of protected Dalbergia trees from Africa, Madagascar, and Asia. Methods: Metabolic profiles were collected using DART TOFMS from the heartwood of seven species and the sapwood of 17 species of Dalbergia. Also included in this study are 85 Dalbergia heartwood samples from Madagascar that were only identified to genus. In all, 21 species comprising 235 specimens were analyzed, the metabolic chemotypes were interpreted, and the spectra were analyzed using chemometric tools. Results: Dalbergia cochinchinensis and Dalbergia spp. from Madagascar (both CITES Appendix II) could be differentiated from each other and from the non-protected Dalbergia latifolia and Dalbergia melanoxylon. Conclusions: DART TOFMS is a valuable high-throughput tool useful for making phytochemical classifications of Dalbergia spp. The data produced allows the protected Dalbergias from Madagascar to be distinguished and can differentiate closely related rosewood trees. Published in 2015. This article is a U.S. Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Rapid screening for the adulterants of Berberis aristata using direct analysis in real-time mass spectrometry and principal component analysis for discrimination.\n \n \n \n \n\n\n \n Bajpai, V.; Singh, A.; Arya, K. R.; Srivastava, M.; and Kumar, B.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 32(6): 799–807. June 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bajpai_rapid_2015,\n\ttitle = {Rapid screening for the adulterants of {Berberis} aristata using direct analysis in real-time mass spectrometry and principal component analysis for discrimination},\n\tvolume = {32},\n\tissn = {1944-0049, 1944-0057},\n\turl = {http://www.tandfonline.com/doi/full/10.1080/19440049.2015.1022885},\n\tdoi = {10.1080/19440049.2015.1022885},\n\tabstract = {Adulteration or substitution of commercial Berberis aristata and its herbal products with inferior-quality substituents is very common. Metabolic profiling of B. aristata, along with its common adulterants/contaminants/substituents such as B. asiatica, Mahonia borealis and Coscinium fenestratum, was rapidly carried out using direct analysis in real-time mass spectrometry (DART MS) to generate the chemical fingerprints for the differentiation of these species. Phytochemical analysis showed the presence of mainly alkaloids. The identified alkaloids were berberrubine, berberine, jatrorrhizine, ketoberberine, palmatine, dihydropalmatine or 7,8-dihydro-8-hydroxyberberine, berbamine and pakistanamine. Berberine, which was mainly reported from the root and stem bark of B. aristata, was also identified in the leaf along with chlorogenic acid. The DART MS data have been subjected to principal component analysis (PCA). The resulting score plots showed clustering and clear differentiation of the species and plant parts. It is thus apparent that the technique of DART MS followed by PCA is a quick and reliable method for the direct profiling of B. aristata and its adulterant plants and plant parts. The study reports the rapid analytical method to identify the possibility of illegal adulteration/contamination/substitution in potential plant materials and herbal extracts.},\n\tlanguage = {en},\n\tnumber = {6},\n\turldate = {2016-01-28},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Bajpai, Vikas and Singh, Awantika and Arya, Kamal Ram and Srivastava, Mukesh and Kumar, Brijesh},\n\tmonth = jun,\n\tyear = {2015},\n\tpages = {799--807},\n}\n\n\n\n
\n
\n\n\n
\n Adulteration or substitution of commercial Berberis aristata and its herbal products with inferior-quality substituents is very common. Metabolic profiling of B. aristata, along with its common adulterants/contaminants/substituents such as B. asiatica, Mahonia borealis and Coscinium fenestratum, was rapidly carried out using direct analysis in real-time mass spectrometry (DART MS) to generate the chemical fingerprints for the differentiation of these species. Phytochemical analysis showed the presence of mainly alkaloids. The identified alkaloids were berberrubine, berberine, jatrorrhizine, ketoberberine, palmatine, dihydropalmatine or 7,8-dihydro-8-hydroxyberberine, berbamine and pakistanamine. Berberine, which was mainly reported from the root and stem bark of B. aristata, was also identified in the leaf along with chlorogenic acid. The DART MS data have been subjected to principal component analysis (PCA). The resulting score plots showed clustering and clear differentiation of the species and plant parts. It is thus apparent that the technique of DART MS followed by PCA is a quick and reliable method for the direct profiling of B. aristata and its adulterant plants and plant parts. The study reports the rapid analytical method to identify the possibility of illegal adulteration/contamination/substitution in potential plant materials and herbal extracts.\n
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\n \n\n \n \n \n \n \n \n Interface for Online Coupling of Surface Plasmon Resonance to Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Zhang, Y.; Li, X.; Nie, H.; Yang, L.; Li, Z.; Bai, Y.; Niu, L.; Song, D.; and Liu, H.\n\n\n \n\n\n\n Analytical Chemistry, 87(13): 6505–6509. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"InterfacePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhang_interface_2015,\n\ttitle = {Interface for {Online} {Coupling} of {Surface} {Plasmon} {Resonance} to {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {87},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.analchem.5b01272},\n\tdoi = {10.1021/acs.analchem.5b01272},\n\tlanguage = {en},\n\tnumber = {13},\n\turldate = {2016-01-29},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Zhang, Yiding and Li, Xianjiang and Nie, Honggang and Yang, Li and Li, Ze and Bai, Yu and Niu, Li and Song, Daqian and Liu, Huwei},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {6505--6509},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Using non-targeted direct analysis in real time-mass spectrometry (DART-MS) to discriminate seeds based on endogenous or exogenous chemicals.\n \n \n \n \n\n\n \n Subbaraj, A. K.; Barrett, B. A.; Wakelin, S. A.; and Fraser, K.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 407(26): 8047–8058. October 2015.\n \n\n\n\n
\n\n\n\n \n \n \"UsingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{subbaraj_using_2015,\n\ttitle = {Using non-targeted direct analysis in real time-mass spectrometry ({DART}-{MS}) to discriminate seeds based on endogenous or exogenous chemicals},\n\tvolume = {407},\n\tissn = {1618-2642, 1618-2650},\n\turl = {http://link.springer.com/10.1007/s00216-015-8977-7},\n\tdoi = {10.1007/s00216-015-8977-7},\n\tabstract = {Forage seeds are a highly traded agricultural commodity, and therefore, quality control and assurance is high priority. In this study, we have used direct analysis in real time-mass spectrometry (DART-MS) as a tool to discriminate forage seeds based on their non-targeted chemical profiles. In the first experiment, two lots of perennial ryegrass (Lolium perenne L.) seed were discriminated based on exogenous residues of N-(3, 4-dichlorophenyl)-N,N-dimethylurea (DiuronTM), a herbicide. In a separate experiment, washed and unwashed seeds of the forage legumes white clover (Trifolium repens L.) and alfalfa (Medicago sativa L.) were discriminated based on the presence or absence of oxylipins, a class of endogenous antimicrobial compounds. Unwashed seeds confer toxicity towards symbiotic, nitrogen-fixing rhizobia which are routinely coated on legume seeds before planting, resulting in reduced rhizobial count. This is the first report of automatic introduction of intact seeds in the DART ion source and detecting oxylipins using DART-MS. Apart from providing scope to investigate legume-rhizobia symbiosis further in the context of oxylipins, the results presented here will enable future studies aimed at classification of seeds based on chemicals bound to the seed coat, thereby offering an efficient screening device for industry.},\n\tlanguage = {en},\n\tnumber = {26},\n\turldate = {2016-01-29},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Subbaraj, Arvind K. and Barrett, Brent A. and Wakelin, Steve A. and Fraser, Karl},\n\tmonth = oct,\n\tyear = {2015},\n\tpages = {8047--8058},\n}\n\n\n\n
\n
\n\n\n
\n Forage seeds are a highly traded agricultural commodity, and therefore, quality control and assurance is high priority. In this study, we have used direct analysis in real time-mass spectrometry (DART-MS) as a tool to discriminate forage seeds based on their non-targeted chemical profiles. In the first experiment, two lots of perennial ryegrass (Lolium perenne L.) seed were discriminated based on exogenous residues of N-(3, 4-dichlorophenyl)-N,N-dimethylurea (DiuronTM), a herbicide. In a separate experiment, washed and unwashed seeds of the forage legumes white clover (Trifolium repens L.) and alfalfa (Medicago sativa L.) were discriminated based on the presence or absence of oxylipins, a class of endogenous antimicrobial compounds. Unwashed seeds confer toxicity towards symbiotic, nitrogen-fixing rhizobia which are routinely coated on legume seeds before planting, resulting in reduced rhizobial count. This is the first report of automatic introduction of intact seeds in the DART ion source and detecting oxylipins using DART-MS. Apart from providing scope to investigate legume-rhizobia symbiosis further in the context of oxylipins, the results presented here will enable future studies aimed at classification of seeds based on chemicals bound to the seed coat, thereby offering an efficient screening device for industry.\n
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\n \n\n \n \n \n \n \n \n Determination of Dicyandiamide in Powdered Milk Using Direct Analysis in Real Time Quadrupole Time-of-Flight Tandem Mass Spectrometry.\n \n \n \n \n\n\n \n Zhang, L.; Yong, W.; Liu, J.; Wang, S.; Chen, Q.; Guo, T.; Zhang, J.; Tan, T.; Su, H.; and Dong, Y.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 26(8): 1414–1422. August 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhang_determination_2015,\n\ttitle = {Determination of {Dicyandiamide} in {Powdered} {Milk} {Using} {Direct} {Analysis} in {Real} {Time} {Quadrupole} {Time}-of-{Flight} {Tandem} {Mass} {Spectrometry}},\n\tvolume = {26},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-015-1142-x},\n\tdoi = {10.1007/s13361-015-1142-x},\n\tabstract = {The direct analysis in real time (DART) ionization source coupled with quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples without sample cleanup or chromatographic separation. In this work, a method based on DART/Q-TOF MS/MS has been developed for rapid identification of dicyandiamide (DCD) present in powdered milk. Simple sample extraction procedure employing acetonitrile-water (80:20, v/v) mixture was followed by direct, high-throughput determination of sample extracts spread on a steel mesh of the transmission module by mass spectrometry under ambient conditions. The method has been evaluated for both qualitative and quantitative analysis of DCD in powdered milk. Variables including experimental apparatus, DART gas heater temperature, sample presentation speed, and vacuum pressure were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision, and accuracy by using external standards. After optimization of these parameters, a limit of detection (LOD) of 100 μg kg-1 was obtained for DCD with a linear working range from 100 to 10000 μg kg-1 and a satisfactory correlation coefficient (R2) of 0.9997. Good recovery (80.08\\%-106.47\\%) and repeatability (RSD∈=∈3.0\\%-5.4\\%) were achieved for DCD. The DART/Q-TOF MS/MS-based method provides a rapid, efficient, and powerful scheme to analyze DCD in powdered milk with limited sample preparation, thus reducing time and complexity of quality control.},\n\tlanguage = {en},\n\tnumber = {8},\n\turldate = {2016-01-29},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Zhang, Liya and Yong, Wei and Liu, Jiahui and Wang, Sai and Chen, Qilong and Guo, Tianyang and Zhang, Jichuan and Tan, Tianwei and Su, Haijia and Dong, Yiyang},\n\tmonth = aug,\n\tyear = {2015},\n\tpages = {1414--1422},\n}\n\n\n\n
\n
\n\n\n
\n The direct analysis in real time (DART) ionization source coupled with quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples without sample cleanup or chromatographic separation. In this work, a method based on DART/Q-TOF MS/MS has been developed for rapid identification of dicyandiamide (DCD) present in powdered milk. Simple sample extraction procedure employing acetonitrile-water (80:20, v/v) mixture was followed by direct, high-throughput determination of sample extracts spread on a steel mesh of the transmission module by mass spectrometry under ambient conditions. The method has been evaluated for both qualitative and quantitative analysis of DCD in powdered milk. Variables including experimental apparatus, DART gas heater temperature, sample presentation speed, and vacuum pressure were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision, and accuracy by using external standards. After optimization of these parameters, a limit of detection (LOD) of 100 μg kg-1 was obtained for DCD with a linear working range from 100 to 10000 μg kg-1 and a satisfactory correlation coefficient (R2) of 0.9997. Good recovery (80.08%-106.47%) and repeatability (RSD∈=∈3.0%-5.4%) were achieved for DCD. The DART/Q-TOF MS/MS-based method provides a rapid, efficient, and powerful scheme to analyze DCD in powdered milk with limited sample preparation, thus reducing time and complexity of quality control.\n
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\n \n\n \n \n \n \n \n \n Validation of Direct Analysis Real Time source/Time-of-Flight Mass Spectrometry for organophosphate quantitation on wafer surface.\n \n \n \n \n\n\n \n Hayeck, N.; Ravier, S.; Gemayel, R.; Gligorovski, S.; Poulet, I.; Maalouly, J.; and Wortham, H.\n\n\n \n\n\n\n Talanta, 144: 1163–1170. November 2015.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{hayeck_validation_2015,\n\ttitle = {Validation of {Direct} {Analysis} {Real} {Time} source/{Time}-of-{Flight} {Mass} {Spectrometry} for organophosphate quantitation on wafer surface},\n\tvolume = {144},\n\tissn = {00399140},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0039914015302071},\n\tdoi = {10.1016/j.talanta.2015.07.080},\n\tabstract = {Microelectronic wafers are exposed to airborne molecular contamination (AMC) during the fabrication process of microelectronic components. The organophosphate compounds belonging to the dopant group are one of the most harmful groups. Once adsorbed on the wafer surface these compounds hardly desorb and could diffuse in the bulk of the wafer and invert the wafer from p-type to n-type. The presence of these compounds on wafer surface could have electrical effect on the microelectronic components. For these reasons, it is of importance to control the amount of these compounds on the surface of the wafer. As a result, a fast quantitative and qualitative analytical method, nondestructive for the wafers, is needed to be able to adjust the process and avoid the loss of an important quantity of processed wafers due to the contamination by organophosphate compounds. Here we developed and validated an analytical method for the determination of organic compounds adsorbed on the surface of microelectronic wafers using the Direct Analysis in Real Time-Time of Flight-Mass Spectrometry (DART-ToF-MS) system. Specifically, the developed methodology concerns the organophosphate group.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Talanta},\n\tauthor = {Hayeck, Nathalie and Ravier, Sylvain and Gemayel, Rachel and Gligorovski, Sasho and Poulet, Irène and Maalouly, Jacqueline and Wortham, Henri},\n\tmonth = nov,\n\tyear = {2015},\n\tpages = {1163--1170},\n}\n\n\n\n
\n
\n\n\n
\n Microelectronic wafers are exposed to airborne molecular contamination (AMC) during the fabrication process of microelectronic components. The organophosphate compounds belonging to the dopant group are one of the most harmful groups. Once adsorbed on the wafer surface these compounds hardly desorb and could diffuse in the bulk of the wafer and invert the wafer from p-type to n-type. The presence of these compounds on wafer surface could have electrical effect on the microelectronic components. For these reasons, it is of importance to control the amount of these compounds on the surface of the wafer. As a result, a fast quantitative and qualitative analytical method, nondestructive for the wafers, is needed to be able to adjust the process and avoid the loss of an important quantity of processed wafers due to the contamination by organophosphate compounds. Here we developed and validated an analytical method for the determination of organic compounds adsorbed on the surface of microelectronic wafers using the Direct Analysis in Real Time-Time of Flight-Mass Spectrometry (DART-ToF-MS) system. Specifically, the developed methodology concerns the organophosphate group.\n
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\n \n\n \n \n \n \n \n \n Aspects of surface scanning by direct analysis in real time mass spectrometry employing plasma glow visualization: DART-MS surface analysis with plasma glow.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(13): 1242–1252. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AspectsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_aspects_2015,\n\ttitle = {Aspects of surface scanning by direct analysis in real time mass spectrometry employing plasma glow visualization: {DART}-{MS} surface analysis with plasma glow},\n\tvolume = {29},\n\tissn = {09514198},\n\tshorttitle = {Aspects of surface scanning by direct analysis in real time mass spectrometry employing plasma glow visualization},\n\turl = {http://doi.wiley.com/10.1002/rcm.7221},\n\tdoi = {10.1002/rcm.7221},\n\tabstract = {Rationale Visual monitoring of the Direct Analysis in Real Time (DART) gas impact region during sampling was demonstrated via its metastable plasma glow. It is known that adding neon into helium for DART leads to plasma glow, but this effect has not been used in practice and discussed in the literature so far. Methods A single quadrupole mass spectrometer with a DART SVPA ion source was used for recording of DART mass spectra from different surfaces, using galangin and p-coumaric acid as model analytes. In specific cases, the composition of the mass spectra was clarified using an Orbitrap mass spectrometer. Results Plasma glow visualization made it possible to track the metastable gas distributions during surface scanning. The influence on the composition of the mass spectra was studied for different carrier gases, i.e. pure helium versus a helium-neon mixture, and for the vacuum pumping rate. The spatial resolution was substantially improved via a DART cap with a narrowed internal diameter, but impaired by a decreased sensitivity. Comparably low signal intensities were obtained for analytes on porous layers due to analyte penetration and metastable gas scattering. Conclusions Visualization through the plasma glow enables the optimal selection of the coordinates for DART-MS analysis and thus it will support scanning and imaging MS on surfaces, including porous planar chromatographic separation materials.},\n\tlanguage = {en},\n\tnumber = {13},\n\turldate = {2016-01-29},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {1242--1252},\n}\n\n\n\n
\n
\n\n\n
\n Rationale Visual monitoring of the Direct Analysis in Real Time (DART) gas impact region during sampling was demonstrated via its metastable plasma glow. It is known that adding neon into helium for DART leads to plasma glow, but this effect has not been used in practice and discussed in the literature so far. Methods A single quadrupole mass spectrometer with a DART SVPA ion source was used for recording of DART mass spectra from different surfaces, using galangin and p-coumaric acid as model analytes. In specific cases, the composition of the mass spectra was clarified using an Orbitrap mass spectrometer. Results Plasma glow visualization made it possible to track the metastable gas distributions during surface scanning. The influence on the composition of the mass spectra was studied for different carrier gases, i.e. pure helium versus a helium-neon mixture, and for the vacuum pumping rate. The spatial resolution was substantially improved via a DART cap with a narrowed internal diameter, but impaired by a decreased sensitivity. Comparably low signal intensities were obtained for analytes on porous layers due to analyte penetration and metastable gas scattering. Conclusions Visualization through the plasma glow enables the optimal selection of the coordinates for DART-MS analysis and thus it will support scanning and imaging MS on surfaces, including porous planar chromatographic separation materials.\n
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\n \n\n \n \n \n \n \n \n Interface for Online Coupling of Surface Plasmon Resonance to Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Zhang, Y.; Li, X.; Nie, H.; Yang, L.; Li, Z.; Bai, Y.; Niu, L.; Song, D.; and Liu, H.\n\n\n \n\n\n\n Analytical Chemistry, 87(13): 6505–6509. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"InterfacePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhang_interface_2015,\n\ttitle = {Interface for {Online} {Coupling} of {Surface} {Plasmon} {Resonance} to {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {87},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/acs.analchem.5b01272},\n\tdoi = {10.1021/acs.analchem.5b01272},\n\tlanguage = {en},\n\tnumber = {13},\n\turldate = {2016-01-29},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Zhang, Yiding and Li, Xianjiang and Nie, Honggang and Yang, Li and Li, Ze and Bai, Yu and Niu, Li and Song, Daqian and Liu, Huwei},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {6505--6509},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Spatial localisation of curcumin and rapid screening of the chemical compositions of turmeric rhizomes (Curcuma longa Linn.) using Direct Analysis in Real Time-Mass Spectrometry (DART-MS).\n \n \n \n \n\n\n \n Rahman, A. M.; Angawi, R. F.; and Kadi, A. A.\n\n\n \n\n\n\n Food Chemistry, 173: 489–494. April 2015.\n \n\n\n\n
\n\n\n\n \n \n \"SpatialPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{rahman_spatial_2015,\n\ttitle = {Spatial localisation of curcumin and rapid screening of the chemical compositions of turmeric rhizomes ({Curcuma} longa {Linn}.) using {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry} ({DART}-{MS})},\n\tvolume = {173},\n\tissn = {03088146},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0308814614016112},\n\tdoi = {10.1016/j.foodchem.2014.10.049},\n\tabstract = {Curcumin is a potent antioxidant agent having versatile biological activities is present in turmeric rhizomes (Curcuma longa Linn.). Powder of turmeric rhizomes is consumes as curry spicy worldwide, especially in Asia. In this study, we demonstrate that, bioactive curcumin and its analog demethoxycurcumin are chiefly concentrated in the pith rather than the other parts of the turmeric rhizomes and it was discovered using modern atmospheric ionisation source 'Direct Analysis in Real Time' (DART) connected with an Ion Trap Mass Spectrometry. In addition, all the major components present in turmeric rhizomes were detected in positive and/or in negative ion mode using DART.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Food Chemistry},\n\tauthor = {Rahman, A.F.M. Motiur and Angawi, Rihab F. and Kadi, Adnan A.},\n\tmonth = apr,\n\tyear = {2015},\n\tpages = {489--494},\n}\n\n\n\n
\n
\n\n\n
\n Curcumin is a potent antioxidant agent having versatile biological activities is present in turmeric rhizomes (Curcuma longa Linn.). Powder of turmeric rhizomes is consumes as curry spicy worldwide, especially in Asia. In this study, we demonstrate that, bioactive curcumin and its analog demethoxycurcumin are chiefly concentrated in the pith rather than the other parts of the turmeric rhizomes and it was discovered using modern atmospheric ionisation source 'Direct Analysis in Real Time' (DART) connected with an Ion Trap Mass Spectrometry. In addition, all the major components present in turmeric rhizomes were detected in positive and/or in negative ion mode using DART.\n
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\n \n\n \n \n \n \n \n \n Metabolic chemotypes of CITES protected Dalbergia timbers from Africa, Madagascar, and Asia: Metabolic chemotypes of Dalbergia.\n \n \n \n \n\n\n \n McClure, P. J.; Chavarria, G. D.; and Espinoza, E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(9): 783–788. May 2015.\n \n\n\n\n
\n\n\n\n \n \n \"MetabolicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{mcclure_metabolic_2015,\n\ttitle = {Metabolic chemotypes of {CITES} protected {Dalbergia} timbers from {Africa}, {Madagascar}, and {Asia}: {Metabolic} chemotypes of {Dalbergia}},\n\tvolume = {29},\n\tissn = {09514198},\n\tshorttitle = {Metabolic chemotypes of {CITES} protected \\textit{{Dalbergia}} timbers from {Africa}, {Madagascar}, and {Asia}},\n\turl = {http://doi.wiley.com/10.1002/rcm.7163},\n\tdoi = {10.1002/rcm.7163},\n\tabstract = {Rationale: The genus Dalbergia includes approximately 250 species worldwide. Of these, 58 species are of economic importance and listed under CITES. Identification of illegal transnational timber trade is a challenge because logs or boards lack the typical descriptors used for species identification such as leaves and flowers; therefore, frequently the lowest taxonomic determination of these tree byproducts is genus. In this study, we explore the use of Direct Analysis in Real Time (DART) Time-Of-Flight Mass Spectrometry (TOFMS) in making species determinations of protected Dalbergia trees from Africa, Madagascar, and Asia. Methods: Metabolic profiles were collected using DART TOFMS from the heartwood of seven species and the sapwood of 17 species of Dalbergia. Also included in this study are 85 Dalbergia heartwood samples from Madagascar that were only identified to genus. In all, 21 species comprising 235 specimens were analyzed, the metabolic chemotypes were interpreted, and the spectra were analyzed using chemometric tools. Results: Dalbergia cochinchinensis and Dalbergia spp. from Madagascar (both CITES Appendix II) could be differentiated from each other and from the non-protected Dalbergia latifolia and Dalbergia melanoxylon. Conclusions: DART TOFMS is a valuable high-throughput tool useful for making phytochemical classifications of Dalbergia spp. The data produced allows the protected Dalbergias from Madagascar to be distinguished and can differentiate closely related rosewood trees. Published in 2015. This article is a U.S. Government work and is in the public domain in the USA.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-29},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {McClure, Pamela J. and Chavarria, Gabriela D. and Espinoza, Edgard},\n\tmonth = may,\n\tyear = {2015},\n\tpages = {783--788},\n}\n\n\n\n
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\n Rationale: The genus Dalbergia includes approximately 250 species worldwide. Of these, 58 species are of economic importance and listed under CITES. Identification of illegal transnational timber trade is a challenge because logs or boards lack the typical descriptors used for species identification such as leaves and flowers; therefore, frequently the lowest taxonomic determination of these tree byproducts is genus. In this study, we explore the use of Direct Analysis in Real Time (DART) Time-Of-Flight Mass Spectrometry (TOFMS) in making species determinations of protected Dalbergia trees from Africa, Madagascar, and Asia. Methods: Metabolic profiles were collected using DART TOFMS from the heartwood of seven species and the sapwood of 17 species of Dalbergia. Also included in this study are 85 Dalbergia heartwood samples from Madagascar that were only identified to genus. In all, 21 species comprising 235 specimens were analyzed, the metabolic chemotypes were interpreted, and the spectra were analyzed using chemometric tools. Results: Dalbergia cochinchinensis and Dalbergia spp. from Madagascar (both CITES Appendix II) could be differentiated from each other and from the non-protected Dalbergia latifolia and Dalbergia melanoxylon. Conclusions: DART TOFMS is a valuable high-throughput tool useful for making phytochemical classifications of Dalbergia spp. The data produced allows the protected Dalbergias from Madagascar to be distinguished and can differentiate closely related rosewood trees. Published in 2015. This article is a U.S. Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Quantitative surface scanning by Direct Analysis in Real Time mass spectrometry: Quantitative surface scanning by DART-MS.\n \n \n \n \n\n\n \n Häbe, T. T.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(6): 474–484. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{habe_quantitative_2015,\n\ttitle = {Quantitative surface scanning by {Direct} {Analysis} in {Real} {Time} mass spectrometry: {Quantitative} surface scanning by {DART}-{MS}},\n\tvolume = {29},\n\tissn = {09514198},\n\tshorttitle = {Quantitative surface scanning by {Direct} {Analysis} in {Real} {Time} mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7127},\n\tdoi = {10.1002/rcm.7127},\n\tabstract = {RATIONALE Only a few ambient ionization sources have been demonstrated to work quantitatively for surface scanning. A modification of the Direct Analysis in Real Time mass spectrometry (DART-MS) interface is needed to improve the precision during the scanning of a high-performance thin-layer chromatography (HPTLC) plate or any other surface or planar substrate, especially for quantitation without an internal standard correction. METHODS The substrate movement relative to the ion source outlet and the mass spectrometer inlet was optimized to improve the desorption, ionization, and capture of analytes. The substrate carrier was mounted at an angled position, thus reducing collisions between the deflected gas stream and the inner transfer tube wall. A special transfer tube, whose edge was angled towards the substrate and allowed a narrow set-up of the ambient air gap, captured the deflected DART gas stream. RESULTS For the repeated DART-MS scanning along five identical deposited bands of butyl-4-hydroxybenzoate a mean precision of 2.7\\% was obtained. A signal decay of 62\\% was observed after five scans. After HPTLC of methyl-4-hydroxybenzoate and butyl-4-hydroxybenzoate, mean determination coefficients of 0.9937 and 0.9906 were obtained for five calibrations on five plates, respectively. The mean recovery of two control standards was 94\\% with a mean repeatability of 9\\% (\\%RSD, n = 5) obtained on five different plates. CONCLUSIONS The DART SVPA-3DS system remained compact and the access to the substrate was kept wide open despite the optimized scan lane (spatial resolution at full width at half maximum 0.8 mm, height 3 mm). The performance data showed that the quantitative surface scanning was improved as well as the desorption efficacy and detectability using this modified DART-MS interface.},\n\tlanguage = {en},\n\tnumber = {6},\n\turldate = {2016-01-28},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Häbe, Tim T. and Morlock, Gertrud E.},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {474--484},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Only a few ambient ionization sources have been demonstrated to work quantitatively for surface scanning. A modification of the Direct Analysis in Real Time mass spectrometry (DART-MS) interface is needed to improve the precision during the scanning of a high-performance thin-layer chromatography (HPTLC) plate or any other surface or planar substrate, especially for quantitation without an internal standard correction. METHODS The substrate movement relative to the ion source outlet and the mass spectrometer inlet was optimized to improve the desorption, ionization, and capture of analytes. The substrate carrier was mounted at an angled position, thus reducing collisions between the deflected gas stream and the inner transfer tube wall. A special transfer tube, whose edge was angled towards the substrate and allowed a narrow set-up of the ambient air gap, captured the deflected DART gas stream. RESULTS For the repeated DART-MS scanning along five identical deposited bands of butyl-4-hydroxybenzoate a mean precision of 2.7% was obtained. A signal decay of 62% was observed after five scans. After HPTLC of methyl-4-hydroxybenzoate and butyl-4-hydroxybenzoate, mean determination coefficients of 0.9937 and 0.9906 were obtained for five calibrations on five plates, respectively. The mean recovery of two control standards was 94% with a mean repeatability of 9% (%RSD, n = 5) obtained on five different plates. CONCLUSIONS The DART SVPA-3DS system remained compact and the access to the substrate was kept wide open despite the optimized scan lane (spatial resolution at full width at half maximum 0.8 mm, height 3 mm). The performance data showed that the quantitative surface scanning was improved as well as the desorption efficacy and detectability using this modified DART-MS interface.\n
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\n \n\n \n \n \n \n \n \n Surface characterization and antifouling properties of nanostructured gold chips for imaging surface plasmon resonance biosensing.\n \n \n \n \n\n\n \n Joshi, S.; Pellacani, P.; van Beek, T. A.; Zuilhof, H.; and Nielen, M. W.\n\n\n \n\n\n\n Sensors and Actuators B: Chemical, 209: 505–514. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"SurfacePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{joshi_surface_2015,\n\ttitle = {Surface characterization and antifouling properties of nanostructured gold chips for imaging surface plasmon resonance biosensing},\n\tvolume = {209},\n\tissn = {09254005},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0925400514015287},\n\tdoi = {10.1016/j.snb.2014.11.133},\n\tabstract = {Surface Plasmon Resonance (SPR) optical sensing is a label-free technique for real-time monitoring of biomolecular interactions. Recently, a portable imaging SPR (iSPR) prototype instrument, featuring a nanostructured gold chip, has been developed. In the present work, we investigated the crucial first steps, prior to eventual use of the nanostructured iSPR chip, i.e., its surface modification, in-depth surface characterization and the antifouling performance. Results were compared with conventional flat (i)SPR gold chips having the same surface chemistries, viz. different types of polyethylene glycol and zwitterionic polymers. Characterization of the (i)SPR chips before and after surface modification was performed using atomic force microscopy (AFM), scanning electron microscopy (SEM), water contact angle (WCA), X-ray photoelectron spectroscopy (XPS) and direct analysis in real time high resolution mass spectrometry (DART-HRMS). The antifouling properties were then studied using the nanostructured chip in the portable iSPR instrument and the flat gold chip in conventional SPR setup. The zwitterionic polymer surface chemistries showed the best antifouling properties. Comparison of the nanostructured iSPR chips with conventional flat (i)SPR gold chips showed that the latter perform slightly better in terms of surface modification as well as antifouling properties. The portable iSPR instrument is almost as sensitive as conventional iSPR (IBIS) and nine times less sensitive than conventional SPR (Biacore 3000). The nanostructured iSPR chip, along with the portable instrument, offers the advantage of about ten-fold reduction in instrument size, weight and costs compared to conventional (i)SPR instruments using flat gold, thus making it highly interesting for future biosensing applications.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Sensors and Actuators B: Chemical},\n\tauthor = {Joshi, Sweccha and Pellacani, Paola and van Beek, Teris A. and Zuilhof, Han and Nielen, Michel W.F.},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {505--514},\n}\n\n\n\n
\n
\n\n\n
\n Surface Plasmon Resonance (SPR) optical sensing is a label-free technique for real-time monitoring of biomolecular interactions. Recently, a portable imaging SPR (iSPR) prototype instrument, featuring a nanostructured gold chip, has been developed. In the present work, we investigated the crucial first steps, prior to eventual use of the nanostructured iSPR chip, i.e., its surface modification, in-depth surface characterization and the antifouling performance. Results were compared with conventional flat (i)SPR gold chips having the same surface chemistries, viz. different types of polyethylene glycol and zwitterionic polymers. Characterization of the (i)SPR chips before and after surface modification was performed using atomic force microscopy (AFM), scanning electron microscopy (SEM), water contact angle (WCA), X-ray photoelectron spectroscopy (XPS) and direct analysis in real time high resolution mass spectrometry (DART-HRMS). The antifouling properties were then studied using the nanostructured chip in the portable iSPR instrument and the flat gold chip in conventional SPR setup. The zwitterionic polymer surface chemistries showed the best antifouling properties. Comparison of the nanostructured iSPR chips with conventional flat (i)SPR gold chips showed that the latter perform slightly better in terms of surface modification as well as antifouling properties. The portable iSPR instrument is almost as sensitive as conventional iSPR (IBIS) and nine times less sensitive than conventional SPR (Biacore 3000). The nanostructured iSPR chip, along with the portable instrument, offers the advantage of about ten-fold reduction in instrument size, weight and costs compared to conventional (i)SPR instruments using flat gold, thus making it highly interesting for future biosensing applications.\n
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\n \n\n \n \n \n \n \n \n Trace detection and competitive ionization of erythritol tetranitrate in mixtures using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Forbes, T. P.; and Sisco, E.\n\n\n \n\n\n\n Anal. Methods, 7(8): 3632–3636. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"TracePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{forbes_trace_2015,\n\ttitle = {Trace detection and competitive ionization of erythritol tetranitrate in mixtures using direct analysis in real time mass spectrometry},\n\tvolume = {7},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C4AY02694B},\n\tdoi = {10.1039/C4AY02694B},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry (MS) was used for trace detection of the nitrate ester explosive erythritol tetranitrate (ETN) and its sugar alcohol precursor erythritol. The present investigation revealed the impact of competitive ionization between ETN, erythritol, and nitric acid for the detection of sugar alcohol-based homemade explosives. DART-MS facilitated the direct investigation of matrix effects related to the desorption process and compound volatility, as well as the ionization process, neutralization, and affinity for nitrate adduct formation. ETN and erythritol were directly detected at nanogram to sub-nanogram levels by DART-MS.},\n\tlanguage = {en},\n\tnumber = {8},\n\turldate = {2016-01-29},\n\tjournal = {Anal. Methods},\n\tauthor = {Forbes, Thomas P. and Sisco, Edward},\n\tyear = {2015},\n\tpages = {3632--3636},\n}\n\n\n\n
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\n Direct analysis in real time (DART) mass spectrometry (MS) was used for trace detection of the nitrate ester explosive erythritol tetranitrate (ETN) and its sugar alcohol precursor erythritol. The present investigation revealed the impact of competitive ionization between ETN, erythritol, and nitric acid for the detection of sugar alcohol-based homemade explosives. DART-MS facilitated the direct investigation of matrix effects related to the desorption process and compound volatility, as well as the ionization process, neutralization, and affinity for nitrate adduct formation. ETN and erythritol were directly detected at nanogram to sub-nanogram levels by DART-MS.\n
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\n \n\n \n \n \n \n \n \n Schlieren visualization of fluid dynamics effects in direct analysis in real time mass spectrometry: Schlieren DART-MS.\n \n \n \n \n\n\n \n Curtis, M.; Keelor, J. D.; Jones, C. M.; Pittman, J. J.; Jones, P. R.; Sparkman, O. D.; and Fernández, F. M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(5): 431–439. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"SchlierenPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{curtis_schlieren_2015,\n\ttitle = {Schlieren visualization of fluid dynamics effects in direct analysis in real time mass spectrometry: {Schlieren} {DART}-{MS}},\n\tvolume = {29},\n\tissn = {09514198},\n\tshorttitle = {Schlieren visualization of fluid dynamics effects in direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7119},\n\tdoi = {10.1002/rcm.7119},\n\tabstract = {Rationale The success of ambient analysis using plasma-based ion sources depends heavily on fluid dynamics and mass transport efficiency in the sample region. To help characterize the influence of these determining factors, visualization of the gas flow profile for a Direct Analysis in Real Time (DART) ion source at the mass spectrometer atmospheric pressure (AP) interface was performed using the Schlieren technique. Methods The DART helium flow pattern was imaged in model systems incorporating different interface designs, i.e. skimmer or capillary inlet, and for sampling strategies using several types of traditional DART sample probes including a glass capillary, swab, and drug tablet. Notably, Schlieren experiments were conducted on instruments equipped with the gas-ion separator tube (GIST) adapter and Vapur® pump, and on setups featuring the transmission mode (TM) DART module used in standard practice. Results DART sources were seen to expel a collimated, highly laminar helium stream across interface distances up to {\\textasciitilde}8 cm. The helium stream was robust to the influence of gas temperature (50-500 C) and flow rate (≤3.5 Lmin-1), but considerable DART gas deflection or full disruption was observed in each sampling scenario. The severity of the flow disturbance depended on probe size and placement, the GIST/Vapur® settings, or counter-current gas movements present at the interface. Conclusions The real-time Schlieren visualizations introduced in this work provide new insight on the fluid dynamics within the DART-MS sample gap while also helping to identify those experimental parameters requiring optimization for improved transmission.},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-01-28},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Curtis, Matthew and Keelor, Joel D. and Jones, Christina M. and Pittman, Jennifer J. and Jones, Patrick R. and Sparkman, O. David and Fernández, Facundo M.},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {431--439},\n}\n\n\n\n
\n
\n\n\n
\n Rationale The success of ambient analysis using plasma-based ion sources depends heavily on fluid dynamics and mass transport efficiency in the sample region. To help characterize the influence of these determining factors, visualization of the gas flow profile for a Direct Analysis in Real Time (DART) ion source at the mass spectrometer atmospheric pressure (AP) interface was performed using the Schlieren technique. Methods The DART helium flow pattern was imaged in model systems incorporating different interface designs, i.e. skimmer or capillary inlet, and for sampling strategies using several types of traditional DART sample probes including a glass capillary, swab, and drug tablet. Notably, Schlieren experiments were conducted on instruments equipped with the gas-ion separator tube (GIST) adapter and Vapur® pump, and on setups featuring the transmission mode (TM) DART module used in standard practice. Results DART sources were seen to expel a collimated, highly laminar helium stream across interface distances up to ~8 cm. The helium stream was robust to the influence of gas temperature (50-500 C) and flow rate (≤3.5 Lmin-1), but considerable DART gas deflection or full disruption was observed in each sampling scenario. The severity of the flow disturbance depended on probe size and placement, the GIST/Vapur® settings, or counter-current gas movements present at the interface. Conclusions The real-time Schlieren visualizations introduced in this work provide new insight on the fluid dynamics within the DART-MS sample gap while also helping to identify those experimental parameters requiring optimization for improved transmission.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry of fused ring heterocyclic organometallic compounds.\n \n \n \n \n\n\n \n Mazzotta, M. G.; Young, J. O. E.; Evans, J. W.; Dopierala, L. A.; Claytor, Z. A.; Smith, A. C.; Snyder, C.; Tice, N. C.; and Smith, D. L.\n\n\n \n\n\n\n Anal. Methods, 7(9): 4003–4007. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{mazzotta_direct_2015,\n\ttitle = {Direct analysis in real time mass spectrometry of fused ring heterocyclic organometallic compounds},\n\tvolume = {7},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C5AY00295H},\n\tdoi = {10.1039/C5AY00295H},\n\tabstract = {Direct analysis in real time (DART) was able to desorb/ionize a series of fused-ring heterocyclic organometallic compounds to allow molecular analysis using a linear ion-trap mass spectrometer. Limited data is available pertaining to the use of ambient ionization with organometallic compounds but the developed analytical method allowed direct sampling of solutions prepared from pure organometallic compounds in dichloromethane to generate signals in the positive mode. A protonated molecule was detected (even when a charged ring structure was present) but signal intensity was dependent on the organometallic compound with respect to the specific metal-ligand interaction of the molecule as well as the helium gas temperature in the DART ion source. In addition, dimer formation for compounds was also observed. Tandem mass spectrometry was also possible to verify the tricarbonyl groups from the organometallic compound and show relative differences with respect to metal coordination. The desorption/ionization of these heterocyclic organometallic compounds with DART potentially gives synthetic chemists another ionization choice for rapid reaction product monitoring.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-29},\n\tjournal = {Anal. Methods},\n\tauthor = {Mazzotta, Michael G. and Young, Jason O. E. and Evans, Jesse W. and Dopierala, Levi A. and Claytor, Zachariah. A. and Smith, Adam C. and Snyder, Chad and Tice, Nathan C. and Smith, Darrin L.},\n\tyear = {2015},\n\tpages = {4003--4007},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) was able to desorb/ionize a series of fused-ring heterocyclic organometallic compounds to allow molecular analysis using a linear ion-trap mass spectrometer. Limited data is available pertaining to the use of ambient ionization with organometallic compounds but the developed analytical method allowed direct sampling of solutions prepared from pure organometallic compounds in dichloromethane to generate signals in the positive mode. A protonated molecule was detected (even when a charged ring structure was present) but signal intensity was dependent on the organometallic compound with respect to the specific metal-ligand interaction of the molecule as well as the helium gas temperature in the DART ion source. In addition, dimer formation for compounds was also observed. Tandem mass spectrometry was also possible to verify the tricarbonyl groups from the organometallic compound and show relative differences with respect to metal coordination. The desorption/ionization of these heterocyclic organometallic compounds with DART potentially gives synthetic chemists another ionization choice for rapid reaction product monitoring.\n
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\n \n\n \n \n \n \n \n \n Rapid detection of sugar alcohol precursors and corresponding nitrate ester explosives using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Sisco, E.; and Forbes, T. P.\n\n\n \n\n\n\n The Analyst, 140(8): 2785–2796. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sisco_rapid_2015,\n\ttitle = {Rapid detection of sugar alcohol precursors and corresponding nitrate ester explosives using direct analysis in real time mass spectrometry},\n\tvolume = {140},\n\tissn = {0003-2654, 1364-5528},\n\turl = {http://xlink.rsc.org/?DOI=C4AN02347A},\n\tdoi = {10.1039/C4AN02347A},\n\tabstract = {This work highlights the rapid detection of nitrate ester explosives and their sugar alcohol precursors by direct analysis in real time mass spectrometry (DART-MS) using an off-axis geometry. Demonstration of the effect of various parameters, such as ion polarity and in-source collision induced dissociation (CID) on the detection of these compounds is presented. Sensitivity of sugar alcohols and nitrate ester explosives was found to be greatest in negative ion mode with sensitivities ranging from hundreds of picograms to hundreds of nanograms, depending on the characteristics of the particular molecule. Altering the in-source CID potential allowed for acquisition of characteristic molecular ion spectra as well as fragmentation spectra. Additional studies were completed to identify the role of different experimental parameters on the sensitivity for these compounds. Variables that were examined included the DART gas stream temperature, the presence of a related compound (i.e., the effect of a precursor on the detection of a nitrate ester explosive), incorporation of dopant species and the role of the analysis surface. It was determined that each variable affected the response and detection of both sugar alcohols and the corresponding nitrate ester explosives. From this work, a rapid and sensitive method for the detection of individual sugar alcohols and corresponding nitrate ester explosives, or mixtures of the two, has been developed, providing a useful tool in the real-world identification of homemade explosives.},\n\tlanguage = {en},\n\tnumber = {8},\n\turldate = {2016-01-29},\n\tjournal = {The Analyst},\n\tauthor = {Sisco, Edward and Forbes, Thomas P.},\n\tyear = {2015},\n\tpages = {2785--2796},\n}\n\n\n\n
\n
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\n This work highlights the rapid detection of nitrate ester explosives and their sugar alcohol precursors by direct analysis in real time mass spectrometry (DART-MS) using an off-axis geometry. Demonstration of the effect of various parameters, such as ion polarity and in-source collision induced dissociation (CID) on the detection of these compounds is presented. Sensitivity of sugar alcohols and nitrate ester explosives was found to be greatest in negative ion mode with sensitivities ranging from hundreds of picograms to hundreds of nanograms, depending on the characteristics of the particular molecule. Altering the in-source CID potential allowed for acquisition of characteristic molecular ion spectra as well as fragmentation spectra. Additional studies were completed to identify the role of different experimental parameters on the sensitivity for these compounds. Variables that were examined included the DART gas stream temperature, the presence of a related compound (i.e., the effect of a precursor on the detection of a nitrate ester explosive), incorporation of dopant species and the role of the analysis surface. It was determined that each variable affected the response and detection of both sugar alcohols and the corresponding nitrate ester explosives. From this work, a rapid and sensitive method for the detection of individual sugar alcohols and corresponding nitrate ester explosives, or mixtures of the two, has been developed, providing a useful tool in the real-world identification of homemade explosives.\n
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\n \n\n \n \n \n \n \n \n Prediction of acrylamide formation in biscuits based on fingerprint data generated by ambient ionization mass spectrometry employing direct analysis in real time (DART) ion source.\n \n \n \n \n\n\n \n Vaclavik, L.; Capuano, E.; Gökmen, V.; and Hajslova, J.\n\n\n \n\n\n\n Food Chemistry, 173: 290–297. April 2015.\n \n\n\n\n
\n\n\n\n \n \n \"PredictionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{vaclavik_prediction_2015,\n\ttitle = {Prediction of acrylamide formation in biscuits based on fingerprint data generated by ambient ionization mass spectrometry employing direct analysis in real time ({DART}) ion source},\n\tvolume = {173},\n\tissn = {03088146},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0308814614015398},\n\tdoi = {10.1016/j.foodchem.2014.09.151},\n\tabstract = {The objective of this study is the evaluation of the potential of high-throughput direct analysis in real time-high resolution mass spectrometry (DART-HRMS) fingerprinting and multivariate regression analysis in prediction of the extent of acrylamide formation in biscuit samples prepared by various recipes and baking conditions. Information-rich mass spectral fingerprints were obtained by analysis of biscuit extracts for preparation of which aqueous methanol was used. The principal component analysis (PCA) of the acquired data revealed an apparent clustering of samples according to the extent of heat-treatment applied during the baking of the biscuits. The regression model for prediction of acrylamide in biscuits was obtained by partial least square regression (PLSR) analysis of the data matrix representing combined positive and negative ionization mode fingerprints. The model provided a least root mean square error of cross validation (RMSECV) equal to an acrylamide concentration of 5.4 μg kg-1 and standard error of prediction (SEP) of 14.8 μg kg-1. The results obtained indicate that this strategy can be used to accurately predict the amounts of acrylamide formed during baking of biscuits. Such rapid estimation of acrylamide concentration can become a useful tool in evaluation of the effectivity of processes aiming at mitigation of this food processing contaminant. However, the robustness this approach with respect to variability in the chemical composition of ingredients used for preparation of biscuits should be tested further.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Food Chemistry},\n\tauthor = {Vaclavik, Lukas and Capuano, Edoardo and Gökmen, Vural and Hajslova, Jana},\n\tmonth = apr,\n\tyear = {2015},\n\tpages = {290--297},\n}\n\n\n\n
\n
\n\n\n
\n The objective of this study is the evaluation of the potential of high-throughput direct analysis in real time-high resolution mass spectrometry (DART-HRMS) fingerprinting and multivariate regression analysis in prediction of the extent of acrylamide formation in biscuit samples prepared by various recipes and baking conditions. Information-rich mass spectral fingerprints were obtained by analysis of biscuit extracts for preparation of which aqueous methanol was used. The principal component analysis (PCA) of the acquired data revealed an apparent clustering of samples according to the extent of heat-treatment applied during the baking of the biscuits. The regression model for prediction of acrylamide in biscuits was obtained by partial least square regression (PLSR) analysis of the data matrix representing combined positive and negative ionization mode fingerprints. The model provided a least root mean square error of cross validation (RMSECV) equal to an acrylamide concentration of 5.4 μg kg-1 and standard error of prediction (SEP) of 14.8 μg kg-1. The results obtained indicate that this strategy can be used to accurately predict the amounts of acrylamide formed during baking of biscuits. Such rapid estimation of acrylamide concentration can become a useful tool in evaluation of the effectivity of processes aiming at mitigation of this food processing contaminant. However, the robustness this approach with respect to variability in the chemical composition of ingredients used for preparation of biscuits should be tested further.\n
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\n \n\n \n \n \n \n \n \n Application of Direct Analysis in Real Time-Mass Spectrometry (DART-MS) to the Study of Gas–Surface Heterogeneous Reactions: Focus on Ozone and PAHs.\n \n \n \n \n\n\n \n Zhou, S.; Forbes, M. W.; and Abbatt, J. P. D.\n\n\n \n\n\n\n Analytical Chemistry, 87(9): 4733–4740. May 2015.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhou_application_2015,\n\ttitle = {Application of {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry} ({DART}-{MS}) to the {Study} of {Gas}–{Surface} {Heterogeneous} {Reactions}: {Focus} on {Ozone} and {PAHs}},\n\tvolume = {87},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Application of {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry} ({DART}-{MS}) to the {Study} of {Gas}–{Surface} {Heterogeneous} {Reactions}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac504722z},\n\tdoi = {10.1021/ac504722z},\n\tabstract = {A novel analytical method is presented whereby Direct Analysis in Real Time-Mass Spectrometry (DART-MS) is applied to the study of gas-surface heterogeneous reactions. To illustrate the capabilities of the approach, the kinetics of a well-studied reaction of surface-bound polycyclic aromatic hydrocarbons with ozone are presented. Specifically, using helium as the reagent gas and with the DART heater temperature of 500 °C, nanogram quantities of benzo[e]pyrene (BeP) deposited on the outside of glass melting point capillary tubes were analyzed in positive ion mode with a limit of detection of 40 pg. Using bis(2-ethylhexyl) sebacate as an internal standard, the kinetics of the ozone-BeP reaction were assessed by determining the surface-bound BeP decays, after oxidation in an off-line reaction cell. The reaction is demonstrated to follow the Langmuir-Hinshelwood mechanism, known to prevail for heterogeneous reactions of this type. In addition, a wide array of oxygenated, condensed-phase products has been observed. The present work demonstrates the capability of the DART-MS technique to investigate the heterogeneous chemistry taking place on a wide range of surfaces, such as those that form in both outdoor and indoor environments.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-29},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Zhou, Shouming and Forbes, Matthew W. and Abbatt, Jonathan P. D.},\n\tmonth = may,\n\tyear = {2015},\n\tpages = {4733--4740},\n}\n\n\n\n
\n
\n\n\n
\n A novel analytical method is presented whereby Direct Analysis in Real Time-Mass Spectrometry (DART-MS) is applied to the study of gas-surface heterogeneous reactions. To illustrate the capabilities of the approach, the kinetics of a well-studied reaction of surface-bound polycyclic aromatic hydrocarbons with ozone are presented. Specifically, using helium as the reagent gas and with the DART heater temperature of 500 °C, nanogram quantities of benzo[e]pyrene (BeP) deposited on the outside of glass melting point capillary tubes were analyzed in positive ion mode with a limit of detection of 40 pg. Using bis(2-ethylhexyl) sebacate as an internal standard, the kinetics of the ozone-BeP reaction were assessed by determining the surface-bound BeP decays, after oxidation in an off-line reaction cell. The reaction is demonstrated to follow the Langmuir-Hinshelwood mechanism, known to prevail for heterogeneous reactions of this type. In addition, a wide array of oxygenated, condensed-phase products has been observed. The present work demonstrates the capability of the DART-MS technique to investigate the heterogeneous chemistry taking place on a wide range of surfaces, such as those that form in both outdoor and indoor environments.\n
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\n \n\n \n \n \n \n \n \n Analysis of Silicones Released from Household Items and Baby Articles by Direct Analysis in Real Time-Mass Spectrometry.\n \n \n \n \n\n\n \n Gross, J. H.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 26(3): 511–521. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{gross_analysis_2015,\n\ttitle = {Analysis of {Silicones} {Released} from {Household} {Items} and {Baby} {Articles} by {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry}},\n\tvolume = {26},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-014-1042-5},\n\tdoi = {10.1007/s13361-014-1042-5},\n\tabstract = {Direct analysis in real time-mass spectrometry (DART-MS) enables screening of articles of daily use made of polydimethylsiloxanes (PDMS), commonly known as silicone rubber, to assess their tendency to release low molecular weight silicone oligomers. DART-MS analyses were performed on a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. Flexible silicone baking molds, a watch band, and a dough scraper, as baby articles different brands of pacifiers, nipples, and a teething ring have been examined. While somewhat arbitrarily chosen, the set can be regarded as representative of household items, baby articles, and other objects made of silicone rubber. For comparison, two brands of silicone septa and as blanks a glass slide and a latex pacifier were included. Differences between the objects were mainly observed in terms of molecular weight distribution and occasional release of other compounds in addition to PDMS. Other than that, all objects made of silicone rubber released significant amounts of PDMS during DART analysis. To provide a coarse quantification, a calibration based on silicone oil was established, which delivered PDMS losses from 20 μg to {\\textgreater}100 μg during the 16-s period per measurement. Also, the extraction of baking molds in rapeseed oil demonstrated a PDMS release at the level of 1 μg mg-1. These findings indicate a potential health hazard from frequent or long-term use of such items. This work does not intend to blame certain brands of such articles. Nonetheless, a higher level of awareness of this source of daily silicone intake is suggested.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-28},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Gross, Jürgen H.},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {511--521},\n}\n\n\n\n
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\n Direct analysis in real time-mass spectrometry (DART-MS) enables screening of articles of daily use made of polydimethylsiloxanes (PDMS), commonly known as silicone rubber, to assess their tendency to release low molecular weight silicone oligomers. DART-MS analyses were performed on a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. Flexible silicone baking molds, a watch band, and a dough scraper, as baby articles different brands of pacifiers, nipples, and a teething ring have been examined. While somewhat arbitrarily chosen, the set can be regarded as representative of household items, baby articles, and other objects made of silicone rubber. For comparison, two brands of silicone septa and as blanks a glass slide and a latex pacifier were included. Differences between the objects were mainly observed in terms of molecular weight distribution and occasional release of other compounds in addition to PDMS. Other than that, all objects made of silicone rubber released significant amounts of PDMS during DART analysis. To provide a coarse quantification, a calibration based on silicone oil was established, which delivered PDMS losses from 20 μg to \\textgreater100 μg during the 16-s period per measurement. Also, the extraction of baking molds in rapeseed oil demonstrated a PDMS release at the level of 1 μg mg-1. These findings indicate a potential health hazard from frequent or long-term use of such items. This work does not intend to blame certain brands of such articles. Nonetheless, a higher level of awareness of this source of daily silicone intake is suggested.\n
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\n \n\n \n \n \n \n \n \n DART Fourier transform ion cyclotron resonance mass spectrometry for analysis of complex organic mixtures.\n \n \n \n \n\n\n \n Lobodin, V. V.; Nyadong, L.; Ruddy, B. M.; Curtis, M.; Jones, P. R.; Rodgers, R. P.; and Marshall, A. G.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 378: 186–192. February 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{lobodin_dart_2015,\n\ttitle = {{DART} {Fourier} transform ion cyclotron resonance mass spectrometry for analysis of complex organic mixtures},\n\tvolume = {378},\n\tissn = {13873806},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1387380614003212},\n\tdoi = {10.1016/j.ijms.2014.07.050},\n\tabstract = {We report the first combination of a commercial direct analysis in real time (DART) source with FT-ICR MS and its application to analysis of complex organic mixtures. DART enables ionization of compounds with little or no sample preparation, and FT-ICR provides ultrahigh mass resolution and mass accuracy. The combination provides a rapid, robust, and reliable method for analysis of components spanning a wide range of chemical functionality. DART 9.4 T FT-ICR MS generates abundant molecular or quasimolecular ions from C60, heavy petroleum, naphthenate deposits, and biotar, without fragmentation. Moreover, we demonstrate desorption/ionization of compounds with boiling points significantly higher than the DART source temperature. DART FT-ICR MS thus offers a new and useful atmospheric pressure ionization mass spectrometry technique for analysis of complex organic mixtures.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Lobodin, Vladislav V. and Nyadong, Leonard and Ruddy, Brian M. and Curtis, Matthew and Jones, Patrick R. and Rodgers, Ryan P. and Marshall, Alan G.},\n\tmonth = feb,\n\tyear = {2015},\n\tpages = {186--192},\n}\n\n\n\n
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\n We report the first combination of a commercial direct analysis in real time (DART) source with FT-ICR MS and its application to analysis of complex organic mixtures. DART enables ionization of compounds with little or no sample preparation, and FT-ICR provides ultrahigh mass resolution and mass accuracy. The combination provides a rapid, robust, and reliable method for analysis of components spanning a wide range of chemical functionality. DART 9.4 T FT-ICR MS generates abundant molecular or quasimolecular ions from C60, heavy petroleum, naphthenate deposits, and biotar, without fragmentation. Moreover, we demonstrate desorption/ionization of compounds with boiling points significantly higher than the DART source temperature. DART FT-ICR MS thus offers a new and useful atmospheric pressure ionization mass spectrometry technique for analysis of complex organic mixtures.\n
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\n \n\n \n \n \n \n \n \n In Situ Analysis for Herbal Pieces of Aconitum Plants by Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Zhou, F.; Zhu, H.; Liu, S.; Ma, K.; Song, F.; and Liu, Z.\n\n\n \n\n\n\n Chinese Journal of Chemistry, 33(2): 241–246. February 2015.\n \n\n\n\n
\n\n\n\n \n \n \"InPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhou_situ_2015,\n\ttitle = {In {Situ} {Analysis} for {Herbal} {Pieces} of {Aconitum} {Plants} by {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {33},\n\tissn = {1001604X},\n\turl = {http://doi.wiley.com/10.1002/cjoc.201400692},\n\tdoi = {10.1002/cjoc.201400692},\n\tabstract = {In this study, an extend application was developed to in situ analyze the herbal pieces of Aconitum plants by Direct Analysis in Real Time Mass Spectrometry (DART-MS). Nearly all aconitine-type alkaloids can be desorbed and ionized in this method, including diester diterpenoid aconitines (DDAs), monoester diterpenoid aconitines (MDAs) and some other diterpenoid aconitines. The spectra of in situ analysis for the herbal pieces of aconitum plants are similar with that of their extracts. Radix Aconiti and Radix Aconiti Kusnezoffii can be distinguished from each other by the intensity differences of character fragment ions from MDAs, such as m/z 586, 572, and 556. The qualified and unqualified herbal pieces can be also identified by the relative abundances of DDAs. The RSD of the relative abundances of some character ions at m/z 556, 586, and 590 were 13.53\\%, 4.03\\%, and 12.03\\%, respectively. So this in situ analytical method can identify both the types of Aconitum preparata and their quality. It provides the following advantages in the analysis of Chinese herbs: fast detection without much pretreatment, high-throughput analysis, and reduction of pollution without any organic solvent.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-01-28},\n\tjournal = {Chinese Journal of Chemistry},\n\tauthor = {Zhou, Feng and Zhu, Hongbin and Liu, Shu and Ma, Kang and Song, Fengrui and Liu, Zhiqiang},\n\tmonth = feb,\n\tyear = {2015},\n\tpages = {241--246},\n}\n\n\n\n
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\n In this study, an extend application was developed to in situ analyze the herbal pieces of Aconitum plants by Direct Analysis in Real Time Mass Spectrometry (DART-MS). Nearly all aconitine-type alkaloids can be desorbed and ionized in this method, including diester diterpenoid aconitines (DDAs), monoester diterpenoid aconitines (MDAs) and some other diterpenoid aconitines. The spectra of in situ analysis for the herbal pieces of aconitum plants are similar with that of their extracts. Radix Aconiti and Radix Aconiti Kusnezoffii can be distinguished from each other by the intensity differences of character fragment ions from MDAs, such as m/z 586, 572, and 556. The qualified and unqualified herbal pieces can be also identified by the relative abundances of DDAs. The RSD of the relative abundances of some character ions at m/z 556, 586, and 590 were 13.53%, 4.03%, and 12.03%, respectively. So this in situ analytical method can identify both the types of Aconitum preparata and their quality. It provides the following advantages in the analysis of Chinese herbs: fast detection without much pretreatment, high-throughput analysis, and reduction of pollution without any organic solvent.\n
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\n \n\n \n \n \n \n \n \n Aerogel dust collection for in situ mass spectrometry analysis.\n \n \n \n \n\n\n \n Jones, S.; Anderson, M.; Davies, A.; Kirby, J.; Burchell, M.; and Cole, M.\n\n\n \n\n\n\n Icarus, 247: 71–76. February 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AerogelPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jones_aerogel_2015,\n\ttitle = {Aerogel dust collection for in situ mass spectrometry analysis},\n\tvolume = {247},\n\tissn = {00191035},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0019103514005223},\n\tdoi = {10.1016/j.icarus.2014.09.047},\n\tabstract = {The current technique for conducting in situ mass spectroscopic analysis of dust around extraterrestrial bodies is to have the dust impact a solid plate and analyze the atoms and molecular fragments resulting from the high speed impact. Due to the fact that the kinetic energy from the impact is converted primarily to thermal energy, much of the organic compounds present in the dust may be significantly altered or destroyed. To avoid this problem, aerogel could be used to capture the dust grains, largely intact, maintaining the integrity of the organic compounds in the interior of the dust grains. To demonstrate that organic molecules, present as minor components of silica particles, would survive hypervelocity capture in aerogel and can then be analyzed with mass spectrometry, several light gas gun impact tests and analyses were conducted. Fine particles containing polycyclic aromatic hydrocarbons (PAHs) were captured in aerogel at 5.5kms-1. The flow of metastable helium from a Direct Analysis Real Time (DART) source was used to desorb and ionize the organics, which were then analyzed with a mass spectrometer. The PAHs were detected and identified by the DART-MS, demonstrating that this method could be used on future flight instruments.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Icarus},\n\tauthor = {Jones, S.M. and Anderson, M.S. and Davies, A.G. and Kirby, J.P. and Burchell, M.J. and Cole, M.J.},\n\tmonth = feb,\n\tyear = {2015},\n\tpages = {71--76},\n}\n\n\n\n
\n
\n\n\n
\n The current technique for conducting in situ mass spectroscopic analysis of dust around extraterrestrial bodies is to have the dust impact a solid plate and analyze the atoms and molecular fragments resulting from the high speed impact. Due to the fact that the kinetic energy from the impact is converted primarily to thermal energy, much of the organic compounds present in the dust may be significantly altered or destroyed. To avoid this problem, aerogel could be used to capture the dust grains, largely intact, maintaining the integrity of the organic compounds in the interior of the dust grains. To demonstrate that organic molecules, present as minor components of silica particles, would survive hypervelocity capture in aerogel and can then be analyzed with mass spectrometry, several light gas gun impact tests and analyses were conducted. Fine particles containing polycyclic aromatic hydrocarbons (PAHs) were captured in aerogel at 5.5kms-1. The flow of metastable helium from a Direct Analysis Real Time (DART) source was used to desorb and ionize the organics, which were then analyzed with a mass spectrometer. The PAHs were detected and identified by the DART-MS, demonstrating that this method could be used on future flight instruments.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Authentication of true cinnamon (Cinnamon verum) utilising direct analysis in real time (DART)-QToF-MS.\n \n \n \n \n\n\n \n Avula, B.; Smillie, T. J.; Wang, Y.; Zweigenbaum, J.; and Khan, I. A.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 32(1): 1–8. January 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AuthenticationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{avula_authentication_2015,\n\ttitle = {Authentication of true cinnamon ({Cinnamon} verum) utilising direct analysis in real time ({DART})-{QToF}-{MS}},\n\tvolume = {32},\n\tissn = {1944-0049, 1944-0057},\n\turl = {http://www.tandfonline.com/doi/full/10.1080/19440049.2014.981763},\n\tdoi = {10.1080/19440049.2014.981763},\n\tabstract = {The use of cinnamon as a spice and flavouring agent is widespread throughout the world. Many different species of plants are commonly referred to as ‘cinnamon’. ‘True cinnamon’ refers to the dried inner bark of Cinnamomum verum J. S. Presl (syn. C. zeylanicum) (Lauraceae). Other ‘cinnamon’ species, C. cassia (Nees \\& T. Nees) J. Presl (syn. C. aromaticum Nees) (Chinese cassia), C. loureiroi Nees (Saigon cassia), and C. burmannii (Nees \\& T. Nees) Blume (Indonesian cassia), commonly known as cassia, are also marketed as cinnamon. Since there is a prevalence of these various types of ‘cinnamons’ on the market, there is a need to develop a rapid technique that can readily differentiate between true cinnamon (C. verum) and other commonly marketed species. In the present study, coumarin and other marker compounds indicative of ‘cinnamon’ were analysed using DART-QToF-MS in various samples of cinnamon. This method involved the use of [M + H]+ ions in positive mode in addition to principal component analysis (PCA) using Mass Profiler Professional software to visualise several samples for quality and to discriminate ‘true cinnamon’ from other Cinnamomum species using the accurate mass capabilities of QToF-MS.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Avula, Bharathi and Smillie, Troy J. and Wang, Yan-Hong and Zweigenbaum, Jerry and Khan, Ikhlas A.},\n\tmonth = jan,\n\tyear = {2015},\n\tpages = {1--8},\n}\n\n\n\n
\n
\n\n\n
\n The use of cinnamon as a spice and flavouring agent is widespread throughout the world. Many different species of plants are commonly referred to as ‘cinnamon’. ‘True cinnamon’ refers to the dried inner bark of Cinnamomum verum J. S. Presl (syn. C. zeylanicum) (Lauraceae). Other ‘cinnamon’ species, C. cassia (Nees & T. Nees) J. Presl (syn. C. aromaticum Nees) (Chinese cassia), C. loureiroi Nees (Saigon cassia), and C. burmannii (Nees & T. Nees) Blume (Indonesian cassia), commonly known as cassia, are also marketed as cinnamon. Since there is a prevalence of these various types of ‘cinnamons’ on the market, there is a need to develop a rapid technique that can readily differentiate between true cinnamon (C. verum) and other commonly marketed species. In the present study, coumarin and other marker compounds indicative of ‘cinnamon’ were analysed using DART-QToF-MS in various samples of cinnamon. This method involved the use of [M + H]+ ions in positive mode in addition to principal component analysis (PCA) using Mass Profiler Professional software to visualise several samples for quality and to discriminate ‘true cinnamon’ from other Cinnamomum species using the accurate mass capabilities of QToF-MS.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Analysis of the cyanolichen Lichina pygmaea metabolites using in situ DART-MS: from detection to thermochemistry of mycosporine serinol: DART-MS of cyanolichen Lichina pygmea metabolites.\n \n \n \n \n\n\n \n Le Pogam, P.; Legouin, B.; Le Lamer, A.; Boustie, J.; and Rondeau, D.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 50(3): 454–462. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{le_pogam_analysis_2015,\n\ttitle = {Analysis of the cyanolichen {Lichina} pygmaea metabolites using in situ {DART}-{MS}: from detection to thermochemistry of mycosporine serinol: {DART}-{MS} of cyanolichen {Lichina} pygmea metabolites},\n\tvolume = {50},\n\tissn = {10765174},\n\tshorttitle = {Analysis of the cyanolichen \\textit{{Lichina} pygmaea} metabolites using \\textit{in situ} {DART}-{MS}},\n\turl = {http://doi.wiley.com/10.1002/jms.3549},\n\tdoi = {10.1002/jms.3549},\n\tabstract = {Direct Analysis in Real Time DART-HRMS is here first applied to the detection of molecules from a lichen, Lichina pygmaea. The aim was to propose an innovative method of in situ detection of lichen secondary metabolites using the possibilities of elemental composition determination available when a DART source is interfaced with a TOF analyzer. Three kinds of samples have been submitted to DART ionization, i.e. an intact thallus, a powder obtained from the crushed lichen and an aqueous extract. In situ analysis of crushed lichen, yields an extensive chemical profile, comparable to what is obtained from the aqueous extract, comprising both major polar metabolites described in literature along with some other signals that could correspond to potentially unknown metabolites. One of the detected secondary metabolites, mycosporine serinol, underwent a dehydration reaction prior to its transfer in the gas-phase by DART ionization. The consideration of the thermal transfers involved in the DART ionization process and the possibility to record time-dependent mass spectra through the use of the TOF analyzer allowed establishing Arrhenius plots of this water molecule loss to obtain associated thermodynamic quantities. The low values of corresponding activation enthalpy (Δr‡Hm of the order of 25kJmol-1) enabled formulating some assumption regarding a possible role of such metabolites in the lichen.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Le Pogam, Pierre and Legouin, Béatrice and Le Lamer, Anne-Cécile and Boustie, Joël and Rondeau, David},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {454--462},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time DART-HRMS is here first applied to the detection of molecules from a lichen, Lichina pygmaea. The aim was to propose an innovative method of in situ detection of lichen secondary metabolites using the possibilities of elemental composition determination available when a DART source is interfaced with a TOF analyzer. Three kinds of samples have been submitted to DART ionization, i.e. an intact thallus, a powder obtained from the crushed lichen and an aqueous extract. In situ analysis of crushed lichen, yields an extensive chemical profile, comparable to what is obtained from the aqueous extract, comprising both major polar metabolites described in literature along with some other signals that could correspond to potentially unknown metabolites. One of the detected secondary metabolites, mycosporine serinol, underwent a dehydration reaction prior to its transfer in the gas-phase by DART ionization. The consideration of the thermal transfers involved in the DART ionization process and the possibility to record time-dependent mass spectra through the use of the TOF analyzer allowed establishing Arrhenius plots of this water molecule loss to obtain associated thermodynamic quantities. The low values of corresponding activation enthalpy (Δr‡Hm of the order of 25kJmol-1) enabled formulating some assumption regarding a possible role of such metabolites in the lichen.\n
\n\n\n
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\n \n\n \n \n \n \n \n \n An improved method for the determination of 5-hydroxymethylfurfural in Shenfu injection by direct analysis in real time-quadrupole time-of-flight mass spectrometry: Determination of 5-HMF in SF injection by DART-MS.\n \n \n \n \n\n\n \n Gao, W.; Qi, L.; Liu, C. C.; Wang, R.; Li, P.; and Yang, H.\n\n\n \n\n\n\n Drug Testing and Analysis,n/a–n/a. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{gao_improved_2015,\n\ttitle = {An improved method for the determination of 5-hydroxymethylfurfural in {Shenfu} injection by direct analysis in real time-quadrupole time-of-flight mass spectrometry: {Determination} of 5-{HMF} in {SF} injection by {DART}-{MS}},\n\tissn = {19427603},\n\tshorttitle = {An improved method for the determination of 5-hydroxymethylfurfural in {Shenfu} injection by direct analysis in real time-quadrupole time-of-flight mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/dta.1838},\n\tdoi = {10.1002/dta.1838},\n\tabstract = {The emergence of direct analysis in real time (DART) ion source provides the great possibility for rapid analysis of hazardous substance in drugs. DART mass spectrometry (DART-MS) enabled the conducting of a fast and non-contact analysis of various samples, including solid or liquid ones, without complex sample preparation or chromatographic separation. In this study, a modified DART-quadrupole time-of-flight mass spectrometry (DART-QTOF-MS) method was developed for identification and determination of 5-hydroxymethylfurfural (5-HMF) in Shenfu (SF) injection. The quantitative transfer of sample solution was introduced to the glass tips of DIP-it sampler at a fixed volume, which significantly increases the repeatability and accuracy of analytical results. The protonated ion of dibutyl phthalate in the atmosphere was used as the reference mass for TOF-MS recalibration during the data acquisition for constant high accuracy mass measurements. Finally, the developed DART-MS method was used to determine 5-HMF in seven batches of SF injection, and the contents of 5-HMF were not higher than 100 μg/mL. The results obtained were further confirmed by an ultra-high performance liquid chromatography combined with triple quadrupole mass spectrometer (UHPLC-QQQ-MS). The overall results demonstrated that the DART-QTOF-MS method could be applied as an alternative technique for rapid monitoring 5-HMF in herbal medicine injection.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Gao, Wen and Qi, Lian-Wen and Liu, Charles C. and Wang, Rui and Li, Ping and Yang, Hua},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {n/a--n/a},\n}\n\n\n\n
\n
\n\n\n
\n The emergence of direct analysis in real time (DART) ion source provides the great possibility for rapid analysis of hazardous substance in drugs. DART mass spectrometry (DART-MS) enabled the conducting of a fast and non-contact analysis of various samples, including solid or liquid ones, without complex sample preparation or chromatographic separation. In this study, a modified DART-quadrupole time-of-flight mass spectrometry (DART-QTOF-MS) method was developed for identification and determination of 5-hydroxymethylfurfural (5-HMF) in Shenfu (SF) injection. The quantitative transfer of sample solution was introduced to the glass tips of DIP-it sampler at a fixed volume, which significantly increases the repeatability and accuracy of analytical results. The protonated ion of dibutyl phthalate in the atmosphere was used as the reference mass for TOF-MS recalibration during the data acquisition for constant high accuracy mass measurements. Finally, the developed DART-MS method was used to determine 5-HMF in seven batches of SF injection, and the contents of 5-HMF were not higher than 100 μg/mL. The results obtained were further confirmed by an ultra-high performance liquid chromatography combined with triple quadrupole mass spectrometer (UHPLC-QQQ-MS). The overall results demonstrated that the DART-QTOF-MS method could be applied as an alternative technique for rapid monitoring 5-HMF in herbal medicine injection.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time - high resolution mass spectrometry (DART-HRMS): a high throughput strategy for identification and quantification of anabolic steroid esters: DART-HRMS: a high throughput strategy for identification and quantification of anabolic steroid esters.\n \n \n \n \n\n\n \n Doué, M.; Dervilly-Pinel, G.; Pouponneau, K.; Monteau, F.; and Le Bizec, B.\n\n\n \n\n\n\n Drug Testing and Analysis, 7(7): 603–608. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{doue_direct_2015,\n\ttitle = {Direct analysis in real time - high resolution mass spectrometry ({DART}-{HRMS}): a high throughput strategy for identification and quantification of anabolic steroid esters: {DART}-{HRMS}: a high throughput strategy for identification and quantification of anabolic steroid esters},\n\tvolume = {7},\n\tissn = {19427603},\n\tshorttitle = {Direct analysis in real time - high resolution mass spectrometry ({DART}-{HRMS})},\n\turl = {http://doi.wiley.com/10.1002/dta.1727},\n\tdoi = {10.1002/dta.1727},\n\tabstract = {High throughput screening is essential for doping, forensic, and food safety laboratories. While hyphenated chromatography-mass spectrometry (MS) remains the approach of choice, recent ambient MS techniques, such as direct analysis in real time (DART), offer more rapid and more versatile strategies and thus gain in popularity. In this study, the potential of DART hyphenated with Orbitrap-MS for fast identification and quantification of 21 anabolic steroid esters has been evaluated. Direct analysis in high resolution scan mode allowed steroid esters screening by accurate mass measurement (Resolution=60 000 and mass error{\\textless}3ppm). Steroid esters identification was further supported by collision-induced dissociation (CID) experiments through the generation of two additional ions. Moreover, the use of labelled internal standards allowed quantitative data to be recovered based on isotopic dilution approach. Linearity (R2{\\textgreater}0.99), dynamic range (from 1 to 1000ngmL-1), bias ({\\textless}10\\%), sensitivity (1ngmL-1), repeatability and reproducibility (RSD{\\textless}20\\%) were evaluated as similar to those obtained with hyphenated chromatography-mass spectrometry techniques. This innovative high throughput approach was successfully applied for the characterization of oily commercial preparations, and thus fits the needs of the competent authorities in the fight against forbidden or counterfeited substances.},\n\tlanguage = {en},\n\tnumber = {7},\n\turldate = {2016-01-28},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Doué, Mickael and Dervilly-Pinel, Gaud and Pouponneau, Karinne and Monteau, Fabrice and Le Bizec, Bruno},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {603--608},\n}\n\n\n\n
\n
\n\n\n
\n High throughput screening is essential for doping, forensic, and food safety laboratories. While hyphenated chromatography-mass spectrometry (MS) remains the approach of choice, recent ambient MS techniques, such as direct analysis in real time (DART), offer more rapid and more versatile strategies and thus gain in popularity. In this study, the potential of DART hyphenated with Orbitrap-MS for fast identification and quantification of 21 anabolic steroid esters has been evaluated. Direct analysis in high resolution scan mode allowed steroid esters screening by accurate mass measurement (Resolution=60 000 and mass error\\textless3ppm). Steroid esters identification was further supported by collision-induced dissociation (CID) experiments through the generation of two additional ions. Moreover, the use of labelled internal standards allowed quantitative data to be recovered based on isotopic dilution approach. Linearity (R2\\textgreater0.99), dynamic range (from 1 to 1000ngmL-1), bias (\\textless10%), sensitivity (1ngmL-1), repeatability and reproducibility (RSD\\textless20%) were evaluated as similar to those obtained with hyphenated chromatography-mass spectrometry techniques. This innovative high throughput approach was successfully applied for the characterization of oily commercial preparations, and thus fits the needs of the competent authorities in the fight against forbidden or counterfeited substances.\n
\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid screening of 35 new psychoactive substances by ion mobility spectrometry (IMS) and direct analysis in real time (DART) coupled to quadrupole time-of-flight mass spectrometry (QTOF-MS): Rapid screening of New psychoactive substances by IMS and DART-QTOF-MS.\n \n \n \n \n\n\n \n Gwak, S.; and Almirall, J. R.\n\n\n \n\n\n\n Drug Testing and Analysis, 7(10): 884–893. October 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{gwak_rapid_2015,\n\ttitle = {Rapid screening of 35 new psychoactive substances by ion mobility spectrometry ({IMS}) and direct analysis in real time ({DART}) coupled to quadrupole time-of-flight mass spectrometry ({QTOF}-{MS}): {Rapid} screening of {New} psychoactive substances by {IMS} and {DART}-{QTOF}-{MS}},\n\tvolume = {7},\n\tissn = {19427603},\n\tshorttitle = {Rapid screening of 35 new psychoactive substances by ion mobility spectrometry ({IMS}) and direct analysis in real time ({DART}) coupled to quadrupole time-of-flight mass spectrometry ({QTOF}-{MS})},\n\turl = {http://doi.wiley.com/10.1002/dta.1783},\n\tdoi = {10.1002/dta.1783},\n\tabstract = {The recent propagation of new psychoactive substances (NPS) has led to the development of new techniques for the rapid characterization of controlled substances in this category. A commercial bench-top ion mobility spectrometer (IMS) with a 63Ni ionization source and a direct analysis in real time (DART) coupled to quadrupole time-of-flight (QTOF) were used for the rapid characterization of 35 NPS. The advantages of these techniques are fast response, ease of operation, and minimal sample preparation. The characteristic reduced mobilities of each substance are reported as are the mass spectra of the 35 compounds. The acquired product ion scan mass spectra were also compared to a library database constructed by QTOF with a electrospray ionization (ESI) source and showed a consistent relative abundance for each peak over time. A total of four seized drug samples provided by the local forensic laboratory were analyzed in order to demonstrate the utility of this approach. The results of this study suggest that both IMS and DART-QTOF are promising alternatives for the rapid screening and characterization of these new psychoactive substances.},\n\tlanguage = {en},\n\tnumber = {10},\n\turldate = {2016-01-28},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Gwak, Seongshin and Almirall, Jose R.},\n\tmonth = oct,\n\tyear = {2015},\n\tpages = {884--893},\n}\n\n\n\n
\n
\n\n\n
\n The recent propagation of new psychoactive substances (NPS) has led to the development of new techniques for the rapid characterization of controlled substances in this category. A commercial bench-top ion mobility spectrometer (IMS) with a 63Ni ionization source and a direct analysis in real time (DART) coupled to quadrupole time-of-flight (QTOF) were used for the rapid characterization of 35 NPS. The advantages of these techniques are fast response, ease of operation, and minimal sample preparation. The characteristic reduced mobilities of each substance are reported as are the mass spectra of the 35 compounds. The acquired product ion scan mass spectra were also compared to a library database constructed by QTOF with a electrospray ionization (ESI) source and showed a consistent relative abundance for each peak over time. A total of four seized drug samples provided by the local forensic laboratory were analyzed in order to demonstrate the utility of this approach. The results of this study suggest that both IMS and DART-QTOF are promising alternatives for the rapid screening and characterization of these new psychoactive substances.\n
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\n \n\n \n \n \n \n \n \n Rapid screening for the adulterants of Berberis aristata using direct analysis in real-time mass spectrometry and principal component analysis for discrimination.\n \n \n \n \n\n\n \n Bajpai, V.; Singh, A.; Arya, K. R.; Srivastava, M.; and Kumar, B.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 32(6): 799–807. June 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bajpai_rapid_2015,\n\ttitle = {Rapid screening for the adulterants of {Berberis} aristata using direct analysis in real-time mass spectrometry and principal component analysis for discrimination},\n\tvolume = {32},\n\tissn = {1944-0049, 1944-0057},\n\turl = {http://www.tandfonline.com/doi/full/10.1080/19440049.2015.1022885},\n\tdoi = {10.1080/19440049.2015.1022885},\n\tabstract = {Adulteration or substitution of commercial Berberis aristata and its herbal products with inferior-quality substituents is very common. Metabolic profiling of B. aristata, along with its common adulterants/contaminants/substituents such as B. asiatica, Mahonia borealis and Coscinium fenestratum, was rapidly carried out using direct analysis in real-time mass spectrometry (DART MS) to generate the chemical fingerprints for the differentiation of these species. Phytochemical analysis showed the presence of mainly alkaloids. The identified alkaloids were berberrubine, berberine, jatrorrhizine, ketoberberine, palmatine, dihydropalmatine or 7,8-dihydro-8-hydroxyberberine, berbamine and pakistanamine. Berberine, which was mainly reported from the root and stem bark of B. aristata, was also identified in the leaf along with chlorogenic acid. The DART MS data have been subjected to principal component analysis (PCA). The resulting score plots showed clustering and clear differentiation of the species and plant parts. It is thus apparent that the technique of DART MS followed by PCA is a quick and reliable method for the direct profiling of B. aristata and its adulterant plants and plant parts. The study reports the rapid analytical method to identify the possibility of illegal adulteration/contamination/substitution in potential plant materials and herbal extracts.},\n\tlanguage = {en},\n\tnumber = {6},\n\turldate = {2016-01-28},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Bajpai, Vikas and Singh, Awantika and Arya, Kamal Ram and Srivastava, Mukesh and Kumar, Brijesh},\n\tmonth = jun,\n\tyear = {2015},\n\tpages = {799--807},\n}\n\n\n\n
\n
\n\n\n
\n Adulteration or substitution of commercial Berberis aristata and its herbal products with inferior-quality substituents is very common. Metabolic profiling of B. aristata, along with its common adulterants/contaminants/substituents such as B. asiatica, Mahonia borealis and Coscinium fenestratum, was rapidly carried out using direct analysis in real-time mass spectrometry (DART MS) to generate the chemical fingerprints for the differentiation of these species. Phytochemical analysis showed the presence of mainly alkaloids. The identified alkaloids were berberrubine, berberine, jatrorrhizine, ketoberberine, palmatine, dihydropalmatine or 7,8-dihydro-8-hydroxyberberine, berbamine and pakistanamine. Berberine, which was mainly reported from the root and stem bark of B. aristata, was also identified in the leaf along with chlorogenic acid. The DART MS data have been subjected to principal component analysis (PCA). The resulting score plots showed clustering and clear differentiation of the species and plant parts. It is thus apparent that the technique of DART MS followed by PCA is a quick and reliable method for the direct profiling of B. aristata and its adulterant plants and plant parts. The study reports the rapid analytical method to identify the possibility of illegal adulteration/contamination/substitution in potential plant materials and herbal extracts.\n
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\n \n\n \n \n \n \n \n \n Simultaneous determination of 3-chlorotyrosine and 3-nitrotyrosine in human plasma by direct analysis in real time–tandem mass spectrometry.\n \n \n \n \n\n\n \n Song, Y.; Liao, J.; Zha, C.; Wang, B.; and Liu, C. C.\n\n\n \n\n\n\n Acta Pharmaceutica Sinica B, 5(5): 482–486. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"SimultaneousPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{song_simultaneous_2015,\n\ttitle = {Simultaneous determination of 3-chlorotyrosine and 3-nitrotyrosine in human plasma by direct analysis in real time–tandem mass spectrometry},\n\tvolume = {5},\n\tissn = {22113835},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S2211383515001082},\n\tdoi = {10.1016/j.apsb.2015.07.004},\n\tabstract = {A novel method for the simultaneous determination of 3-nitrotyrosine (NT) and 3-chlorotyrosine (CT) in human plasma has been developed based on direct analysis in real time-tandem mass spectrometry (DART-MS/MS). Analysis was performed in the positive ionization mode using multiple reaction monitoring (MRM) of the ion transitions at m/z 216.2/170.1 for CT, m/z 227.2/181.1 for NT and m/z 230.2/184.2 for the internal standard, d3-NT. The assay was linear in the ranges 0.5-100μg/mL for CT and 4-100μg/mL for NT with corresponding limits of detection of 0.2 and 2μg/mL. Intra- and inter-day precisions and accuracies were respectively {\\textless}15\\% and ±15\\%. Matrix effects were also evaluated. The method is potentially useful for high throughput analysis although sensitivity needs to be improved before it can be applied in clinical research.},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-01-28},\n\tjournal = {Acta Pharmaceutica Sinica B},\n\tauthor = {Song, Yuqiao and Liao, Jie and Zha, Cheng and Wang, Bin and Liu, Charles C.},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {482--486},\n}\n\n\n\n
\n
\n\n\n
\n A novel method for the simultaneous determination of 3-nitrotyrosine (NT) and 3-chlorotyrosine (CT) in human plasma has been developed based on direct analysis in real time-tandem mass spectrometry (DART-MS/MS). Analysis was performed in the positive ionization mode using multiple reaction monitoring (MRM) of the ion transitions at m/z 216.2/170.1 for CT, m/z 227.2/181.1 for NT and m/z 230.2/184.2 for the internal standard, d3-NT. The assay was linear in the ranges 0.5-100μg/mL for CT and 4-100μg/mL for NT with corresponding limits of detection of 0.2 and 2μg/mL. Intra- and inter-day precisions and accuracies were respectively \\textless15% and ±15%. Matrix effects were also evaluated. The method is potentially useful for high throughput analysis although sensitivity needs to be improved before it can be applied in clinical research.\n
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\n \n\n \n \n \n \n \n \n Detection of nicotine as an indicator of tobacco smoke by direct analysis in real time (DART) tandem mass spectrometry.\n \n \n \n \n\n\n \n Kuki, Á.; Nagy, L.; Nagy, T.; Zsuga, M.; and Kéki, S.\n\n\n \n\n\n\n Atmospheric Environment, 100: 74–77. January 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{kuki_detection_2015,\n\ttitle = {Detection of nicotine as an indicator of tobacco smoke by direct analysis in real time ({DART}) tandem mass spectrometry},\n\tvolume = {100},\n\tissn = {13522310},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1352231014008437},\n\tdoi = {10.1016/j.atmosenv.2014.10.046},\n\tabstract = {The residual tobacco smoke contamination (thirdhand smoke, THS) on the clothes of a smoker was examined by direct analysis in real time (DART) mass spectrometry. DART-MS enabled sensitive and selective analysis of nicotine as the indicator of tobacco smoke pollution. Tandem mass spectrometric (MS/MS) experiments were also performed to confirm the identification of nicotine. Transferred thirdhand smoke originated from the fingers of a smoker onto other objects was also detected by DART mass spectrometry. DART-MS/MS was utilized for monitoring the secondhand tobacco smoke (SHS) in the air of the laboratory using nicotine as an indicator. To the best of our knowledge, this is the first report on the application of DART-MS and DART-MS/MS to the detection of thirdhand smoke and to the monitoring of secondhand smoke.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Atmospheric Environment},\n\tauthor = {Kuki, Ákos and Nagy, Lajos and Nagy, Tibor and Zsuga, Miklós and Kéki, Sándor},\n\tmonth = jan,\n\tyear = {2015},\n\tpages = {74--77},\n}\n\n\n\n
\n
\n\n\n
\n The residual tobacco smoke contamination (thirdhand smoke, THS) on the clothes of a smoker was examined by direct analysis in real time (DART) mass spectrometry. DART-MS enabled sensitive and selective analysis of nicotine as the indicator of tobacco smoke pollution. Tandem mass spectrometric (MS/MS) experiments were also performed to confirm the identification of nicotine. Transferred thirdhand smoke originated from the fingers of a smoker onto other objects was also detected by DART mass spectrometry. DART-MS/MS was utilized for monitoring the secondhand tobacco smoke (SHS) in the air of the laboratory using nicotine as an indicator. To the best of our knowledge, this is the first report on the application of DART-MS and DART-MS/MS to the detection of thirdhand smoke and to the monitoring of secondhand smoke.\n
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\n \n\n \n \n \n \n \n \n Quantitative analysis of phosphoric acid esters in aqueous samples by isotope dilution stir-bar sorptive extraction combined with direct analysis in real time (DART)-Orbitrap mass spectrometry.\n \n \n \n \n\n\n \n Bridoux, M. C.; Malandain, H.; Leprince, F.; Progent, F.; and Machuron-Mandard, X.\n\n\n \n\n\n\n Analytica Chimica Acta, 869: 1–10. April 2015.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bridoux_quantitative_2015,\n\ttitle = {Quantitative analysis of phosphoric acid esters in aqueous samples by isotope dilution stir-bar sorptive extraction combined with direct analysis in real time ({DART})-{Orbitrap} mass spectrometry},\n\tvolume = {869},\n\tissn = {00032670},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0003267015000434},\n\tdoi = {10.1016/j.aca.2015.01.010},\n\tabstract = {A novel hyphenated technique, namely the combination of stir bar sorptive extraction (SBSE) with isotope dilution direct analysis in real time (DART) Orbitrap™ mass spectrometry (OT-MS) is presented for the extraction of phosphoric acid alkyl esters (tri- (TnBP), di- (HDBP), and mono-butyl phosphate (H2MBP)) from aqueous samples. First, SBSE of phosphate esters was performed using a Twister™ coated with 24μL of polydimethylsiloxane (PDMS) as the extracting phase. SBSE was optimized for extraction pH, phase ratio (PDMS volume/aqueous phase volume), stirring speed, extraction time and temperature. Then, coupling of SBSE to DART/Orbitrap-MS was achieved by placing the Twister™ in the middle of an open-ended glass tube between the DART and the Orbitrap™. The DART mass spectrometric response of phosphate esters was probed using commercially available and synthesized alkyl phosphate ester standards. The positive ion full scan spectra of alkyl phosphate triesters (TnBP) was characterized by the product of self-protonation [M+H]+ and, during collision-induced dissociation (CID), the major fragmentation ions corresponded to consecutive loss of alkyl chains. Negative ionization gave abundant [M-H]- ions for both HDnBP and H2MnBP. Twisters™ coated with PDMS successfully extracted phosphate acid esters (tri-, di- and mono-esters) granted that the analytes are present in the aqueous solution in the neutral form. SBSE/DART/Orbitrap-MS results show a good linearity between the concentrations and relative peak areas for the analytes in the concentration range studied (0.1-750ngmL-1). Reproducibility of this SBSE/DART/Orbitrap-MS method was evaluated in terms of \\%RSD by extracting a sample of water fortified with the analytes. The \\%RSDs for TnBP, HDnBP and H2MnBP were 4, 3 and 3\\% (n=5) using the respective perdeuterated internal standards. Matrix effects were investigated by matrix matched calibration standards using underground water samples (UWS) and river water samples (RWS). Matrix effects were effectively compensated by the addition of the perdeuterated internal standards. The application of this new SBSE/DART/Orbitrap-MS method should be very valuable for on-site sampling/monitoring, limiting the transport of large volumes of water samples from the sampling site to the laboratory.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Bridoux, Maxime C. and Malandain, Hélène and Leprince, Françoise and Progent, Frédéric and Machuron-Mandard, Xavier},\n\tmonth = apr,\n\tyear = {2015},\n\tpages = {1--10},\n}\n\n\n\n
\n
\n\n\n
\n A novel hyphenated technique, namely the combination of stir bar sorptive extraction (SBSE) with isotope dilution direct analysis in real time (DART) Orbitrap™ mass spectrometry (OT-MS) is presented for the extraction of phosphoric acid alkyl esters (tri- (TnBP), di- (HDBP), and mono-butyl phosphate (H2MBP)) from aqueous samples. First, SBSE of phosphate esters was performed using a Twister™ coated with 24μL of polydimethylsiloxane (PDMS) as the extracting phase. SBSE was optimized for extraction pH, phase ratio (PDMS volume/aqueous phase volume), stirring speed, extraction time and temperature. Then, coupling of SBSE to DART/Orbitrap-MS was achieved by placing the Twister™ in the middle of an open-ended glass tube between the DART and the Orbitrap™. The DART mass spectrometric response of phosphate esters was probed using commercially available and synthesized alkyl phosphate ester standards. The positive ion full scan spectra of alkyl phosphate triesters (TnBP) was characterized by the product of self-protonation [M+H]+ and, during collision-induced dissociation (CID), the major fragmentation ions corresponded to consecutive loss of alkyl chains. Negative ionization gave abundant [M-H]- ions for both HDnBP and H2MnBP. Twisters™ coated with PDMS successfully extracted phosphate acid esters (tri-, di- and mono-esters) granted that the analytes are present in the aqueous solution in the neutral form. SBSE/DART/Orbitrap-MS results show a good linearity between the concentrations and relative peak areas for the analytes in the concentration range studied (0.1-750ngmL-1). Reproducibility of this SBSE/DART/Orbitrap-MS method was evaluated in terms of %RSD by extracting a sample of water fortified with the analytes. The %RSDs for TnBP, HDnBP and H2MnBP were 4, 3 and 3% (n=5) using the respective perdeuterated internal standards. Matrix effects were investigated by matrix matched calibration standards using underground water samples (UWS) and river water samples (RWS). Matrix effects were effectively compensated by the addition of the perdeuterated internal standards. The application of this new SBSE/DART/Orbitrap-MS method should be very valuable for on-site sampling/monitoring, limiting the transport of large volumes of water samples from the sampling site to the laboratory.\n
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\n \n\n \n \n \n \n \n \n Determination of T-2 and HT-2 toxins from maize by direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Busman, M.; and Maragos, C.\n\n\n \n\n\n\n World Mycotoxin Journal, 8(4): 489–497. August 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{busman_determination_2015,\n\ttitle = {Determination of {T}-2 and {HT}-2 toxins from maize by direct analysis in real time mass spectrometry},\n\tvolume = {8},\n\tissn = {1875-0710, 1875-0796},\n\turl = {http://www.wageningenacademic.com/doi/10.3920/WMJ2014.1854},\n\tdoi = {10.3920/WMJ2014.1854},\n\tabstract = {Direct analysis in real time (DART) ionisation coupled to mass spectrometry (MS) was used for the rapid quantitative analysis of T-2 toxin (T-2) and the related HT-2 toxin (HT-2), extracted from maize. Sample preparation procedures and instrument parameters were optimised to obtain sensitive and accurate determination of the toxins. The lowest calibration levels were 50 μg/kg for T-2 and 300 μg/kg for HT-2. Quantitative analysis was performed with the use of matrix-matched standards employing the 13C-labelled internal standard for T-2. DART-MS of maize extracts spiked with T-2 gave a linear response over the range of 50-1000 μg/kg. With the isotope dilution technique, good recoveries (99-110\\%) and repeatabilities (relative standard deviaiton 7.4-11.6\\%) were obtained at T-2 spiking levels of 100 and 1000 μg/kg. Adaptability of the developed method was demonstrated by analysis of T-2 and HT-2 from an oat flour quality control material. The results here further indicate the potential for application of ambient ionisation mass spectrometry to provide accurate, convenient quantitation of mycotoxins from grains.},\n\tlanguage = {en},\n\tnumber = {4},\n\turldate = {2016-01-28},\n\tjournal = {World Mycotoxin Journal},\n\tauthor = {Busman, M. and Maragos, C.M.},\n\tmonth = aug,\n\tyear = {2015},\n\tpages = {489--497},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) ionisation coupled to mass spectrometry (MS) was used for the rapid quantitative analysis of T-2 toxin (T-2) and the related HT-2 toxin (HT-2), extracted from maize. Sample preparation procedures and instrument parameters were optimised to obtain sensitive and accurate determination of the toxins. The lowest calibration levels were 50 μg/kg for T-2 and 300 μg/kg for HT-2. Quantitative analysis was performed with the use of matrix-matched standards employing the 13C-labelled internal standard for T-2. DART-MS of maize extracts spiked with T-2 gave a linear response over the range of 50-1000 μg/kg. With the isotope dilution technique, good recoveries (99-110%) and repeatabilities (relative standard deviaiton 7.4-11.6%) were obtained at T-2 spiking levels of 100 and 1000 μg/kg. Adaptability of the developed method was demonstrated by analysis of T-2 and HT-2 from an oat flour quality control material. The results here further indicate the potential for application of ambient ionisation mass spectrometry to provide accurate, convenient quantitation of mycotoxins from grains.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry: a Powerful Tool for Fast Analysis.\n \n \n \n \n\n\n \n Li, X.; Wang, X.; Li, L.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Mass Spectrometry Letters, 6(1): 1–6. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_direct_2015,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry}: a {Powerful} {Tool} for {Fast} {Analysis}},\n\tvolume = {6},\n\tissn = {2233-4203},\n\tshorttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\turl = {http://koreascience.or.kr/journal/view.jsp?kj=E1MPSV&py=2015&vnc=v6n1&sp=1},\n\tdoi = {10.5478/MSL.2015.6.1.1},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) is one of the variants of ambient mass spectrometry. The ionization process of DART-MS is in open environment and only takes few seconds, so it is suitable for fast analysis. Actually, since its introduction in 2005, more and more attentions have been drawn to its various applications due to its excellent properties, e.g., fast analysis, and no or less sample preparation, high salt tolerance and so on. This review summarized the promising features of DART-MS, including its ionization mechanism, equipment modification, wide applications, coupling techniques and extraction strategies before analysis.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Mass Spectrometry Letters},\n\tauthor = {Li, Xianjiang and Wang, Xin and Li, Linnan and Bai, Yu and Liu, Huwei},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {1--6},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) is one of the variants of ambient mass spectrometry. The ionization process of DART-MS is in open environment and only takes few seconds, so it is suitable for fast analysis. Actually, since its introduction in 2005, more and more attentions have been drawn to its various applications due to its excellent properties, e.g., fast analysis, and no or less sample preparation, high salt tolerance and so on. This review summarized the promising features of DART-MS, including its ionization mechanism, equipment modification, wide applications, coupling techniques and extraction strategies before analysis.\n
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\n \n\n \n \n \n \n \n \n Rapid analysis of four Sudan dyes using direct analysis in real time-mass spectrometry.\n \n \n \n \n\n\n \n Li, Z.; Zhang, Y.; Zhang, Y.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Anal. Methods, 7(1): 86–90. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_rapid_2015,\n\ttitle = {Rapid analysis of four {Sudan} dyes using direct analysis in real time-mass spectrometry},\n\tvolume = {7},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C4AY02409E},\n\tdoi = {10.1039/C4AY02409E},\n\tabstract = {A simple direct analysis in a real time-mass spectrometry (DART-MS) method was developed for the rapid determination of four Sudan dyes (I-IV) in chili powder. Simple liquid extraction by hexane without further clean-up was used for sample preparation. DART parameters were systematically optimized to achieve the best detection performance. A DIP-it sampler was used for automatic sampling. The matrix effect was measured by comparing the limit of detection (LOD) in matrix solution with that in pure organic solution. Eventually, the identification of the Sudan dyes was confirmed by MS/MS results and the LODs for four analytes in matrix solution were ∼0.5 μg mL-1. The method showed good linearity with correlation coefficients (R2) greater than 0.99 for concentrations ranging from 1 to 20 μg mL-1. The whole analytical process could be completed within 15 minutes with good recoveries (88-116\\%) and satisfactory repeatability ({\\textless}26\\%, n = 3).},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Anal. Methods},\n\tauthor = {Li, Ze and Zhang, Yi-Wei and Zhang, Yi-Ding and Bai, Yu and Liu, Hu-Wei},\n\tyear = {2015},\n\tpages = {86--90},\n}\n\n\n\n
\n
\n\n\n
\n A simple direct analysis in a real time-mass spectrometry (DART-MS) method was developed for the rapid determination of four Sudan dyes (I-IV) in chili powder. Simple liquid extraction by hexane without further clean-up was used for sample preparation. DART parameters were systematically optimized to achieve the best detection performance. A DIP-it sampler was used for automatic sampling. The matrix effect was measured by comparing the limit of detection (LOD) in matrix solution with that in pure organic solution. Eventually, the identification of the Sudan dyes was confirmed by MS/MS results and the LODs for four analytes in matrix solution were ∼0.5 μg mL-1. The method showed good linearity with correlation coefficients (R2) greater than 0.99 for concentrations ranging from 1 to 20 μg mL-1. The whole analytical process could be completed within 15 minutes with good recoveries (88-116%) and satisfactory repeatability (\\textless26%, n = 3).\n
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\n \n\n \n \n \n \n \n \n Tracking and identification of antibacterial components in the essential oil of Tanacetum vulgare L. by the combination of high-performance thin-layer chromatography with direct bioautography and mass spectrometry.\n \n \n \n \n\n\n \n Móricz, Á. M.; Häbe, T. T.; Böszörményi, A.; Ott, P. G.; and Morlock, G. E.\n\n\n \n\n\n\n Journal of Chromatography A, 1422: 310–317. November 2015.\n \n\n\n\n
\n\n\n\n \n \n \"TrackingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{moricz_tracking_2015,\n\ttitle = {Tracking and identification of antibacterial components in the essential oil of {Tanacetum} vulgare {L}. by the combination of high-performance thin-layer chromatography with direct bioautography and mass spectrometry},\n\tvolume = {1422},\n\tissn = {00219673},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0021967315014545},\n\tdoi = {10.1016/j.chroma.2015.10.010},\n\tabstract = {Two tansy (Tanacetum vulgare L.) essential oils were obtained by steam distillation of the capitula with subsequent liquid-liquid extraction (oil 1) or with use of an auxiliary phase for the trapping of the steam components (oil 2). These oils were investigated against Bacillus subtilis F1276, B. subtilis spizizenii (DSM 618), Xanthomonas euvesicatoria, Pseudomonas syringae pv. maculicola, Ralstonia solanacearum strain GMI1000 and Aliivibrio fischeri, using the coupling of high-performance thin-layer chromatography to direct bioautography (HPTLC-DB). Using this method with the potato and tomato pathogen R. solanacearum is shown for the first time. Due to the advanced extraction process, oil 2 was richer in components and provided more inhibition zones. The main bioactive components were identified by scanning HPTLC-Direct Analysis in Real Time mass spectrometry (HPTLC-DART-MS) and solid-phase microextraction gas chromatography electron impact MS (SPME-GC-EI-MS) as cis- and trans-chrysanthenol as well as trans-chrysanthenyl acetate. cis-Chrysanthenol exhibited antibacterial effects against all tested bacteria, whereas trans-chrysanthenol inhibited B. subtilis, R. solanacearum and A. fischeri. trans-Chrysanthenyl acetate was an inhibitor for X. euvesicatoria, R. solanacearum and A. fischeri. Although HPTLC-DART-MS resulted in a comparable fragmentation, the ionization characteristics and the recorded mass spectra clearly showed that DART is a softer ionization technique than EI. It is also more affected by ambient conditions and thus prone to additional oxidation products.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Móricz, Ágnes M. and Häbe, Tim T. and Böszörményi, Andrea and Ott, Péter G. and Morlock, Gertrud E.},\n\tmonth = nov,\n\tyear = {2015},\n\tpages = {310--317},\n}\n\n\n\n
\n
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\n Two tansy (Tanacetum vulgare L.) essential oils were obtained by steam distillation of the capitula with subsequent liquid-liquid extraction (oil 1) or with use of an auxiliary phase for the trapping of the steam components (oil 2). These oils were investigated against Bacillus subtilis F1276, B. subtilis spizizenii (DSM 618), Xanthomonas euvesicatoria, Pseudomonas syringae pv. maculicola, Ralstonia solanacearum strain GMI1000 and Aliivibrio fischeri, using the coupling of high-performance thin-layer chromatography to direct bioautography (HPTLC-DB). Using this method with the potato and tomato pathogen R. solanacearum is shown for the first time. Due to the advanced extraction process, oil 2 was richer in components and provided more inhibition zones. The main bioactive components were identified by scanning HPTLC-Direct Analysis in Real Time mass spectrometry (HPTLC-DART-MS) and solid-phase microextraction gas chromatography electron impact MS (SPME-GC-EI-MS) as cis- and trans-chrysanthenol as well as trans-chrysanthenyl acetate. cis-Chrysanthenol exhibited antibacterial effects against all tested bacteria, whereas trans-chrysanthenol inhibited B. subtilis, R. solanacearum and A. fischeri. trans-Chrysanthenyl acetate was an inhibitor for X. euvesicatoria, R. solanacearum and A. fischeri. Although HPTLC-DART-MS resulted in a comparable fragmentation, the ionization characteristics and the recorded mass spectra clearly showed that DART is a softer ionization technique than EI. It is also more affected by ambient conditions and thus prone to additional oxidation products.\n
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\n \n\n \n \n \n \n \n \n Rapid fingerprinting of Rauwolfia species using direct analysis in real time mass spectrometry combined with principal component analysis for their discrimination.\n \n \n \n \n\n\n \n Kumar, S.; Bajpai, V.; Singh, A.; Bindu, S.; Srivastava, M.; Rameshkumar, K. B.; and Kumar, B.\n\n\n \n\n\n\n Anal. Methods, 7(14): 6021–6026. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{kumar_rapid_2015,\n\ttitle = {Rapid fingerprinting of {Rauwolfia} species using direct analysis in real time mass spectrometry combined with principal component analysis for their discrimination},\n\tvolume = {7},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C5AY01249J},\n\tdoi = {10.1039/C5AY01249J},\n\tabstract = {Medicinal plants of the genus Rauwolfia (Apocynaceae) are extensively used as folk medicines worldwide. Its antihypertensive activity is well known due to the presence of monoterpene indole alkaloids (MIAs). The therapeutic potential of the herbal medicines are affected due to variation of bioactive phytoconstituents. Therefore, a rapid and validated method was developed for fingerprinting of roots and leaves of six Rauwolfia species by direct analysis in real time mass spectrometry (DART-MS). Seventeen bioactive MIAs were tentatively identified on the basis of their exact mass measurement from the intact plant parts. Furthermore, principal component analysis (PCA) was used to analyze the DART-MS data of six Rauwolfia species to identify the chemical markers. Thirteen and twenty-three chemical markers were identified from the roots and leaves which were able to discriminate among six Rauwolfia species. This method was also cross-validated for the rapid identification, authentication and quality control of Rauwolfia species.},\n\tlanguage = {en},\n\tnumber = {14},\n\turldate = {2016-01-28},\n\tjournal = {Anal. Methods},\n\tauthor = {Kumar, Sunil and Bajpai, Vikas and Singh, Awantika and Bindu, S. and Srivastava, Mukesh and Rameshkumar, K. B. and Kumar, Brijesh},\n\tyear = {2015},\n\tpages = {6021--6026},\n}\n\n\n\n
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\n Medicinal plants of the genus Rauwolfia (Apocynaceae) are extensively used as folk medicines worldwide. Its antihypertensive activity is well known due to the presence of monoterpene indole alkaloids (MIAs). The therapeutic potential of the herbal medicines are affected due to variation of bioactive phytoconstituents. Therefore, a rapid and validated method was developed for fingerprinting of roots and leaves of six Rauwolfia species by direct analysis in real time mass spectrometry (DART-MS). Seventeen bioactive MIAs were tentatively identified on the basis of their exact mass measurement from the intact plant parts. Furthermore, principal component analysis (PCA) was used to analyze the DART-MS data of six Rauwolfia species to identify the chemical markers. Thirteen and twenty-three chemical markers were identified from the roots and leaves which were able to discriminate among six Rauwolfia species. This method was also cross-validated for the rapid identification, authentication and quality control of Rauwolfia species.\n
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\n \n\n \n \n \n \n \n \n Quantification of patulin in fruit leathers by ultra-high-performance liquid chromatography-photodiode array (UPLC-PDA).\n \n \n \n \n\n\n \n Maragos, C. M.; Busman, M.; Ma, L.; and Bobell, J.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 32(7): 1164–1174. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"QuantificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{maragos_quantification_2015,\n\ttitle = {Quantification of patulin in fruit leathers by ultra-high-performance liquid chromatography-photodiode array ({UPLC}-{PDA})},\n\tvolume = {32},\n\tissn = {1944-0049, 1944-0057},\n\turl = {http://www.tandfonline.com/doi/full/10.1080/19440049.2015.1036383},\n\tdoi = {10.1080/19440049.2015.1036383},\n\tabstract = {Patulin is a mycotoxin commonly found in certain fruit and fruit products. For this reason many countries have established regulatory limits pertaining to, in particular, apple juice and apple products. Fruit leathers are produced by dehydrating fruit puree, leaving a sweet product that has a leathery texture. A recent report in the literature described the detection of patulin at substantial levels in fruit leathers. To investigate this further, an ultra-high-performance liquid chromatography-photodiode array (UPLC-PDA) method was developed for the sensitive detection of patulin in fruit leathers. Investigations were also made of the suitability of direct analysis in real time-mass spectrometry (DART-MS) for detection of patulin from the surface of fruit leathers. Results indicated DART-MS was insufficiently sensitive for quantification from the surface of home-style apple leathers, although patulin spiked onto the surface of leather or peel could be detected. The UPLC-PDA method was used to determine the fate of patulin during the preparation of home-made fruit leathers. Interestingly, when a home-style process was used, the patulin was not destroyed, but rather increased in concentration as the puree was dehydrated. The UPLC-PDA method was also used to screen for patulin in commercial fruit leathers. Of the 36 products tested, 14 were above the limit of detection (3.5 μg kg–1) and nine were above the limit of quantification (12 μg kg–1). Positive samples were confirmed by UPLC-MS/MS. Only one sample was found above the US regulatory limit for single-strength apple juice products (50 μg kg–1). These results suggest patulin can be concentrated during preparation and can be found in fruit leathers. The limited survey suggests that patulin is fairly prevalent in such commercial products, but that the levels are usually low.},\n\tlanguage = {en},\n\tnumber = {7},\n\turldate = {2016-01-28},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Maragos, Chris M. and Busman, Mark and Ma, Liang and Bobell, John},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {1164--1174},\n}\n\n\n\n
\n
\n\n\n
\n Patulin is a mycotoxin commonly found in certain fruit and fruit products. For this reason many countries have established regulatory limits pertaining to, in particular, apple juice and apple products. Fruit leathers are produced by dehydrating fruit puree, leaving a sweet product that has a leathery texture. A recent report in the literature described the detection of patulin at substantial levels in fruit leathers. To investigate this further, an ultra-high-performance liquid chromatography-photodiode array (UPLC-PDA) method was developed for the sensitive detection of patulin in fruit leathers. Investigations were also made of the suitability of direct analysis in real time-mass spectrometry (DART-MS) for detection of patulin from the surface of fruit leathers. Results indicated DART-MS was insufficiently sensitive for quantification from the surface of home-style apple leathers, although patulin spiked onto the surface of leather or peel could be detected. The UPLC-PDA method was used to determine the fate of patulin during the preparation of home-made fruit leathers. Interestingly, when a home-style process was used, the patulin was not destroyed, but rather increased in concentration as the puree was dehydrated. The UPLC-PDA method was also used to screen for patulin in commercial fruit leathers. Of the 36 products tested, 14 were above the limit of detection (3.5 μg kg–1) and nine were above the limit of quantification (12 μg kg–1). Positive samples were confirmed by UPLC-MS/MS. Only one sample was found above the US regulatory limit for single-strength apple juice products (50 μg kg–1). These results suggest patulin can be concentrated during preparation and can be found in fruit leathers. The limited survey suggests that patulin is fairly prevalent in such commercial products, but that the levels are usually low.\n
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\n \n\n \n \n \n \n \n \n Flexible Device for Direct Analysis in Real Time without Grid Electrode for Mass Spectrometric Analysis.\n \n \n \n \n\n\n \n Han, Y.; Zhang, Y.; Yang, Y.; Huang, Y.; and Xu, X.\n\n\n \n\n\n\n Chinese Journal of Analytical Chemistry, 43(3): 451–456. March 2015.\n \n\n\n\n
\n\n\n\n \n \n \"FlexiblePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{han_flexible_2015,\n\ttitle = {Flexible {Device} for {Direct} {Analysis} in {Real} {Time} without {Grid} {Electrode} for {Mass} {Spectrometric} {Analysis}},\n\tvolume = {43},\n\tissn = {18722040},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1872204015608131},\n\tdoi = {10.1016/S1872-2040(15)60813-1},\n\tabstract = {A flexible and simple direct analysis in real-time (DART) device was developed without grid electrode for mass spectrometer injection. It contained inert carrier gas, ionizer, heater and temperature-controller etc. By excluding the grid electrode and then reducing the structure units, the device could be easy to build up in low cost and flexible to connect with a variety of mass spectrometers. Under the optimum experimental conditions including argon carrier gas with a flow rate of 7.5 L min-1, and heat tape temperature of 300°C, the device was used to analyze benzene alcohol, linoleic acid, dichlorvos emulsion, mosquito coils, citrus peel, and sample (propranolol hydrochloride) on thin-layer plate combined with mass spectrometer. The results were accurate and showed the device was stable and reliable. Copyright © 2015, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-28},\n\tjournal = {Chinese Journal of Analytical Chemistry},\n\tauthor = {Han, Yu-Liang and Zhang, Yao-Li and Yang, Yu-Hui and Huang, Yu-Yu and Xu, Xu},\n\tmonth = mar,\n\tyear = {2015},\n\tpages = {451--456},\n}\n\n\n\n
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\n A flexible and simple direct analysis in real-time (DART) device was developed without grid electrode for mass spectrometer injection. It contained inert carrier gas, ionizer, heater and temperature-controller etc. By excluding the grid electrode and then reducing the structure units, the device could be easy to build up in low cost and flexible to connect with a variety of mass spectrometers. Under the optimum experimental conditions including argon carrier gas with a flow rate of 7.5 L min-1, and heat tape temperature of 300°C, the device was used to analyze benzene alcohol, linoleic acid, dichlorvos emulsion, mosquito coils, citrus peel, and sample (propranolol hydrochloride) on thin-layer plate combined with mass spectrometer. The results were accurate and showed the device was stable and reliable. Copyright © 2015, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences.\n
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\n \n\n \n \n \n \n \n \n Combination of Solid-Phase Micro-Extraction and Direct Analysis in Real Time-Fourier Transform Ion Cyclotron Resonance Mass Spectrometry for Sensitive and Rapid Analysis of 15 Phthalate Plasticizers in Beverages.\n \n \n \n \n\n\n \n Wu, M.; Wang, H.; Dong, G.; Musselman, B. D.; Liu, C. C.; and Guo, Y.\n\n\n \n\n\n\n Chinese Journal of Chemistry, 33(2): 213–219. February 2015.\n \n\n\n\n
\n\n\n\n \n \n \"CombinationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wu_combination_2015,\n\ttitle = {Combination of {Solid}-{Phase} {Micro}-{Extraction} and {Direct} {Analysis} in {Real} {Time}-{Fourier} {Transform} {Ion} {Cyclotron} {Resonance} {Mass} {Spectrometry} for {Sensitive} and {Rapid} {Analysis} of 15 {Phthalate} {Plasticizers} in {Beverages}},\n\tvolume = {33},\n\tissn = {1001604X},\n\turl = {http://doi.wiley.com/10.1002/cjoc.201400564},\n\tdoi = {10.1002/cjoc.201400564},\n\tabstract = {A method for rapid identification and quantification of phthalate plasticizers in beverages was developed. A number of 15 phthalate plasticizers which covered all the phthalates concerned in the US Consumer Product Safety Improvement Act (CPSIA), European Union legislations and Chinese national standards (GB) were analyzed. By a combined solid-phase micro-extraction (SPME) and direct analysis in real time mass spectrometry (DART-MS) approach, phthalates at sub-ng·mL?1 levels can be qualitatively and quantitatively analyzed in a short time. The use of ultrahigh-resolving power and the accurate mass measurement capacity naturally provided by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) minimizes the matrix interferences and thus enables the evaluation of phthalates in a complex matrix without extensive sample handlings or preparations. The limits of quantification (LOQs) were estimated to be at 0.3?5.0 ng·mL?1, lower than the Maximum Residue Limit (MRL) regulated by the European Union legislations (2007/19/EC) in foods, beverages, food packaging and toys (0.3?30 ng·mL?1). This rapid and easy-to-use SPME-DART-FT-ICR-MS method provided a relatively high-throughput and powerful analytical approach for quick testing and screening phthalates in beverages and water samples to ensure food safety.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-01-28},\n\tjournal = {Chinese Journal of Chemistry},\n\tauthor = {Wu, Mengxi and Wang, Haoyang and Dong, Guoqing and Musselman, Brian D. and Liu, Charles C. and Guo, Yinlong},\n\tmonth = feb,\n\tyear = {2015},\n\tpages = {213--219},\n}\n\n\n\n
\n
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\n A method for rapid identification and quantification of phthalate plasticizers in beverages was developed. A number of 15 phthalate plasticizers which covered all the phthalates concerned in the US Consumer Product Safety Improvement Act (CPSIA), European Union legislations and Chinese national standards (GB) were analyzed. By a combined solid-phase micro-extraction (SPME) and direct analysis in real time mass spectrometry (DART-MS) approach, phthalates at sub-ng·mL?1 levels can be qualitatively and quantitatively analyzed in a short time. The use of ultrahigh-resolving power and the accurate mass measurement capacity naturally provided by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) minimizes the matrix interferences and thus enables the evaluation of phthalates in a complex matrix without extensive sample handlings or preparations. The limits of quantification (LOQs) were estimated to be at 0.3?5.0 ng·mL?1, lower than the Maximum Residue Limit (MRL) regulated by the European Union legislations (2007/19/EC) in foods, beverages, food packaging and toys (0.3?30 ng·mL?1). This rapid and easy-to-use SPME-DART-FT-ICR-MS method provided a relatively high-throughput and powerful analytical approach for quick testing and screening phthalates in beverages and water samples to ensure food safety.\n
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\n \n\n \n \n \n \n \n \n A novel approach to determine the tyrosine concentration in human plasma by DART-MS/MS.\n \n \n \n \n\n\n \n Song, Y.; Liao, J.; Zha, C.; Wang, B.; and Liu, C. C.\n\n\n \n\n\n\n Anal. Methods, 7(4): 1600–1605. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{song_novel_2015,\n\ttitle = {A novel approach to determine the tyrosine concentration in human plasma by {DART}-{MS}/{MS}},\n\tvolume = {7},\n\tissn = {1759-9660, 1759-9679},\n\turl = {http://xlink.rsc.org/?DOI=C4AY02566K},\n\tdoi = {10.1039/C4AY02566K},\n\tabstract = {A novel method for determining the tyrosine (Tyr) concentration in human plasma using direct analysis in real time mass spectrometry (DART-MS/MS) was developed. DART-MS/MS was performed in the positive ionization mode with multiple reaction monitoring (MRM) while using the ion transitions at m/z of 182.2/136.2 (Tyr). The experimental conditions and the sample preparation method were optimized to maximize the signal intensity. The linear range was determined to be 2-50 μg mL-1 from the calibration curve. The limit of quantification (LOQ) was 2 μg mL-1. The intra- and inter-day precisions did not exceed 15\\%, and the accuracies were less than ±15\\% for the 4, 18 and 38 μg mL-1 quality control (QC) samples. In addition, the extents of the matrix effects for the QC samples were also evaluated. Using the proposed method, samples could be analyzed simultaneously. The proposed DART-MS/MS-based method is not only rapid and simple with a high throughput but is also economical, as a mobile phase is not used. Furthermore, the method was used successfully to determine the Tyr levels in the plasmas of healthy volunteers and liver cancer patients. The proposed method should also be theoretically suitable for screening newborn babies for the hereditary tyrosinemia.},\n\tlanguage = {en},\n\tnumber = {4},\n\turldate = {2016-01-28},\n\tjournal = {Anal. Methods},\n\tauthor = {Song, Yu-qiao and Liao, Jie and Zha, Cheng and Wang, Bin and Liu, Charles C.},\n\tyear = {2015},\n\tpages = {1600--1605},\n}\n\n\n\n
\n
\n\n\n
\n A novel method for determining the tyrosine (Tyr) concentration in human plasma using direct analysis in real time mass spectrometry (DART-MS/MS) was developed. DART-MS/MS was performed in the positive ionization mode with multiple reaction monitoring (MRM) while using the ion transitions at m/z of 182.2/136.2 (Tyr). The experimental conditions and the sample preparation method were optimized to maximize the signal intensity. The linear range was determined to be 2-50 μg mL-1 from the calibration curve. The limit of quantification (LOQ) was 2 μg mL-1. The intra- and inter-day precisions did not exceed 15%, and the accuracies were less than ±15% for the 4, 18 and 38 μg mL-1 quality control (QC) samples. In addition, the extents of the matrix effects for the QC samples were also evaluated. Using the proposed method, samples could be analyzed simultaneously. The proposed DART-MS/MS-based method is not only rapid and simple with a high throughput but is also economical, as a mobile phase is not used. Furthermore, the method was used successfully to determine the Tyr levels in the plasmas of healthy volunteers and liver cancer patients. The proposed method should also be theoretically suitable for screening newborn babies for the hereditary tyrosinemia.\n
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\n \n\n \n \n \n \n \n \n Determination of the aflatoxin M1 (AFM1) from milk by direct analysis in real time – mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Busman, M.; Bobell, J. R.; and Maragos, C. M.\n\n\n \n\n\n\n Food Control, 47: 592–598. January 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{busman_determination_2015,\n\ttitle = {Determination of the aflatoxin {M1} ({AFM1}) from milk by direct analysis in real time – mass spectrometry ({DART}-{MS})},\n\tvolume = {47},\n\tissn = {09567135},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0956713514004514},\n\tdoi = {10.1016/j.foodcont.2014.08.003},\n\tabstract = {Certain fungi that grow on crops can produce aflatoxins, which are highly carcinogenic. One of these, aflatoxin B1 can be metabolized by mammals to aflatoxin M1, a form that retains potent carcinogenicity and which can be excreted into milk. Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for the rapid quantitative analysis of a common form of aflatoxin, AFM1, extracted from cow milk. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of AFM1. The lowest calibration level (LCL) for aflatoxin AFM1 was 0.1μg/kg. Quantitative analysis was performed with the use of matrix-matched standards employing a 13C-labeled internal standard for AFM1. DART-MS of spiked milk extracts gave linear response over the range of 0.1-2.5μg/kg. Good recoveries (94.7-109.2\\%) and repeatabilities (RSD 13.5-9.6\\%) were obtained at spiking levels of 0.5 and 2.0μg/kg. The results of the study further demonstrate the potential of ambient ionization-MS techniques for the sensitive, convenient and rapid quantitative determination of mycotoxins from difficult matrices.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Food Control},\n\tauthor = {Busman, Mark and Bobell, John R. and Maragos, Chris M.},\n\tmonth = jan,\n\tyear = {2015},\n\tpages = {592--598},\n}\n\n\n\n
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\n Certain fungi that grow on crops can produce aflatoxins, which are highly carcinogenic. One of these, aflatoxin B1 can be metabolized by mammals to aflatoxin M1, a form that retains potent carcinogenicity and which can be excreted into milk. Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for the rapid quantitative analysis of a common form of aflatoxin, AFM1, extracted from cow milk. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of AFM1. The lowest calibration level (LCL) for aflatoxin AFM1 was 0.1μg/kg. Quantitative analysis was performed with the use of matrix-matched standards employing a 13C-labeled internal standard for AFM1. DART-MS of spiked milk extracts gave linear response over the range of 0.1-2.5μg/kg. Good recoveries (94.7-109.2%) and repeatabilities (RSD 13.5-9.6%) were obtained at spiking levels of 0.5 and 2.0μg/kg. The results of the study further demonstrate the potential of ambient ionization-MS techniques for the sensitive, convenient and rapid quantitative determination of mycotoxins from difficult matrices.\n
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\n \n\n \n \n \n \n \n \n Rapid screening and distribution of bioactive compounds in different parts of Berberis petiolaris using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Singh, A.; Bajpai, V.; Srivastava, M.; Arya, K. R.; and Kumar, B.\n\n\n \n\n\n\n Journal of Pharmaceutical Analysis, 5(5): 332–335. October 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{singh_rapid_2015,\n\ttitle = {Rapid screening and distribution of bioactive compounds in different parts of {Berberis} petiolaris using direct analysis in real time mass spectrometry},\n\tvolume = {5},\n\tissn = {20951779},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S2095177915000520},\n\tdoi = {10.1016/j.jpha.2015.05.002},\n\tabstract = {Berberis petiolaris Wall. ex G. Don, an unexplored medicinal plant belonging to the family Berberidaceae, is a large deciduous shrub found in Western Himalaya between 1800–3000 m. Chemical profiling of fruit, leaf, root and stem was done by direct analysis in real time mass spectrometry followed by multivariate analysis for discrimination among the plant parts. The bioactive compounds, including magnoflorine, berberine, jatrorrhizine, thalifendine/berberrubine, demethyleneberberine, reticuline, 8-oxoberberine, N-methyltetrahydroberberine, tetrahydropalmatine, tetrahydroberberine and palmatine, were identified by their exact mass measurement and the corresponding molecular formula of each compound. A comparative study of distribution pattern for all these bioactive alkaloids showed qualitative and quantitative variations in different parts of B. petiolaris. Principal component analysis clearly discriminated each part of B. petiolaris plant.},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Pharmaceutical Analysis},\n\tauthor = {Singh, Awantika and Bajpai, Vikas and Srivastava, Mukesh and Arya, Kamal Ram and Kumar, Brijesh},\n\tmonth = oct,\n\tyear = {2015},\n\tpages = {332--335},\n}\n\n\n\n
\n
\n\n\n
\n Berberis petiolaris Wall. ex G. Don, an unexplored medicinal plant belonging to the family Berberidaceae, is a large deciduous shrub found in Western Himalaya between 1800–3000 m. Chemical profiling of fruit, leaf, root and stem was done by direct analysis in real time mass spectrometry followed by multivariate analysis for discrimination among the plant parts. The bioactive compounds, including magnoflorine, berberine, jatrorrhizine, thalifendine/berberrubine, demethyleneberberine, reticuline, 8-oxoberberine, N-methyltetrahydroberberine, tetrahydropalmatine, tetrahydroberberine and palmatine, were identified by their exact mass measurement and the corresponding molecular formula of each compound. A comparative study of distribution pattern for all these bioactive alkaloids showed qualitative and quantitative variations in different parts of B. petiolaris. Principal component analysis clearly discriminated each part of B. petiolaris plant.\n
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\n \n\n \n \n \n \n \n \n Microfabrication, separations, and detection by mass spectrometry on ultrathin-layer chromatography plates prepared via the low-pressure chemical vapor deposition of silicon nitride onto carbon nanotube templates.\n \n \n \n \n\n\n \n Kanyal, S. S.; Häbe, T. T.; Cushman, C. V.; Dhunna, M.; Roychowdhury, T.; Farnsworth, P. B.; Morlock, G. E.; and Linford, M. R.\n\n\n \n\n\n\n Journal of Chromatography A, 1404: 115–123. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"Microfabrication,Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{kanyal_microfabrication_2015,\n\ttitle = {Microfabrication, separations, and detection by mass spectrometry on ultrathin-layer chromatography plates prepared via the low-pressure chemical vapor deposition of silicon nitride onto carbon nanotube templates},\n\tvolume = {1404},\n\tissn = {00219673},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0021967315007633},\n\tdoi = {10.1016/j.chroma.2015.05.053},\n\tabstract = {Microfabrication of ultrathin-layer chromatography (UTLC) plates via conformal deposition of silicon nitride by low-pressure chemical vapor deposition onto patterned carbon nanotube (CNT) scaffolds was demonstrated. After removal of the CNTs and hydroxylation, the resulting UTLC phase showed no expansion or distortion of their microfeatures and the absence/reduction of remaining nitrogenic species. Developing time of a mixture of lipophilic dyes on this UTLC plates was 86\\% shorter than on high-performance thin-layer chromatography (HPTLC) plates. A water-soluble food dye mixture was also separated resulting in low band broadening and reduced developing time compared to HPTLC. For the latter example, mobile phase optimization on a single UTLC plate consisted of 14 developments with different mobile phases, each preceded by a plate prewashing step. The same plate was again reused for additional 11 separations under varying conditions resulting in a development procedure with a mean separation efficiency of 233,000. theoretical plates/m and a reduced mobile phase consumption of only 400. μL. This repeated use proved the physical robustness of the ultrathin layer and its resistance to damage. The layer was highly suited for hyphenation to ambient mass spectrometry, including desorption electrospray ionization (DESI) mass spectrometry imaging and direct analysis in real time (DART) mass spectrometry.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Kanyal, Supriya S. and Häbe, Tim T. and Cushman, Cody V. and Dhunna, Manan and Roychowdhury, Tuhin and Farnsworth, Paul B. and Morlock, Gertrud E. and Linford, Matthew. R.},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {115--123},\n}\n\n\n\n
\n
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\n Microfabrication of ultrathin-layer chromatography (UTLC) plates via conformal deposition of silicon nitride by low-pressure chemical vapor deposition onto patterned carbon nanotube (CNT) scaffolds was demonstrated. After removal of the CNTs and hydroxylation, the resulting UTLC phase showed no expansion or distortion of their microfeatures and the absence/reduction of remaining nitrogenic species. Developing time of a mixture of lipophilic dyes on this UTLC plates was 86% shorter than on high-performance thin-layer chromatography (HPTLC) plates. A water-soluble food dye mixture was also separated resulting in low band broadening and reduced developing time compared to HPTLC. For the latter example, mobile phase optimization on a single UTLC plate consisted of 14 developments with different mobile phases, each preceded by a plate prewashing step. The same plate was again reused for additional 11 separations under varying conditions resulting in a development procedure with a mean separation efficiency of 233,000. theoretical plates/m and a reduced mobile phase consumption of only 400. μL. This repeated use proved the physical robustness of the ultrathin layer and its resistance to damage. The layer was highly suited for hyphenation to ambient mass spectrometry, including desorption electrospray ionization (DESI) mass spectrometry imaging and direct analysis in real time (DART) mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n FORENSIC ANALYSIS OF CITES-PROTECTED DALBERGIA TIMBER FROM THE AMERICAS.\n \n \n \n \n\n\n \n Wiemann, M. C.; Chavarria, G. D.; Barajas-Morales, J.; Espinoza, E. O.; and McClure, P. J.\n\n\n \n\n\n\n IAWA Journal, 36(3): 311–325. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"FORENSICPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wiemann_forensic_2015,\n\ttitle = {{FORENSIC} {ANALYSIS} {OF} {CITES}-{PROTECTED} {DALBERGIA} {TIMBER} {FROM} {THE} {AMERICAS}},\n\tvolume = {36},\n\tissn = {0928-1541, 2294-1932},\n\turl = {http://booksandjournals.brillonline.com/content/journals/10.1163/22941932-20150102},\n\tdoi = {10.1163/22941932-20150102},\n\tabstract = {Species identification of logs, planks, and veneers is difficult because they lack the traditional descriptors such as leaves and flowers. An additional challenge is that many transnational shipments have unreliable geographic provenance. Therefore, frequently the lowest taxonomic determination is genus, which allows unscrupulous importers to evade the endangered species laws. In this study we explore whether analysis of wood using a Direct Analysis in Real Time (DART) Time-Of-Flight Mass Spectrometer (TOFMS) can assist in making unequivocal species determinations of Dalbergia. DART TOFMS spectra were collected from the heartwood of eight species of Dalbergia and six other look-alike species. In all, fourteen species comprising of 318 specimens were analyzed and the species chemical profiles were examined by statistical analysis. Dalbergia nigra (CITES Appendix I) was differentiated from D. spruceana; D. stevensonii (Appendix II) was distinguished from D. tucurensis (Appendix III), and all the look-alike timbers could be readily distinguished. Surprisingly, D. retusa (Appendix III) could not be differentiated from D. granadillo, and we postulate that they are synonymous. We conclude that DART TOFMS spectra are useful in making species identifications of American Dalbergia species, and could be a valuable tool for the traditional wood anatomist.},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-28},\n\tjournal = {IAWA Journal},\n\tauthor = {Wiemann, Michael C. and Chavarria, Gabriela D. and Barajas-Morales, Josefina and Espinoza, Edgard O. and McClure, Pamela J.},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {311--325},\n}\n\n\n\n
\n
\n\n\n
\n Species identification of logs, planks, and veneers is difficult because they lack the traditional descriptors such as leaves and flowers. An additional challenge is that many transnational shipments have unreliable geographic provenance. Therefore, frequently the lowest taxonomic determination is genus, which allows unscrupulous importers to evade the endangered species laws. In this study we explore whether analysis of wood using a Direct Analysis in Real Time (DART) Time-Of-Flight Mass Spectrometer (TOFMS) can assist in making unequivocal species determinations of Dalbergia. DART TOFMS spectra were collected from the heartwood of eight species of Dalbergia and six other look-alike species. In all, fourteen species comprising of 318 specimens were analyzed and the species chemical profiles were examined by statistical analysis. Dalbergia nigra (CITES Appendix I) was differentiated from D. spruceana; D. stevensonii (Appendix II) was distinguished from D. tucurensis (Appendix III), and all the look-alike timbers could be readily distinguished. Surprisingly, D. retusa (Appendix III) could not be differentiated from D. granadillo, and we postulate that they are synonymous. We conclude that DART TOFMS spectra are useful in making species identifications of American Dalbergia species, and could be a valuable tool for the traditional wood anatomist.\n
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\n \n\n \n \n \n \n \n \n Mechanism and application of halogen bond induced fluorescence enhancement and iodine molecule cleavage in solution.\n \n \n \n \n\n\n \n Zou, W.; Lin, S.; Li, J.; Wei, H.; Zhang, X.; Shen, D.; Qiao, J.; Lian, H.; Xie, D.; and Ge, X.\n\n\n \n\n\n\n New J. Chem., 39(1): 262–272. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"MechanismPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zou_mechanism_2015,\n\ttitle = {Mechanism and application of halogen bond induced fluorescence enhancement and iodine molecule cleavage in solution},\n\tvolume = {39},\n\tissn = {1144-0546, 1369-9261},\n\turl = {http://xlink.rsc.org/?DOI=C4NJ01396D},\n\tdoi = {10.1039/C4NJ01396D},\n\tabstract = {In this paper, a strong halogen bond (XB) donor (iodine) and photoinduced electron transfer (PET) molecule (ciprofloxacin, Cip) were selected with the objective to investigate halogen bonding under weakly alkaline conditions. A series of experimental characterization techniques was employed to elucidate the interaction mechanism of the XB, in combination with theoretical calculations. It is found that new UV-Vis absorption peaks and the fluorescence enhancement with the mixing of Cip and iodine are attributed to the disruption of the PET charge separation process through the halogen bonding interaction. The 2:1 stoichiometry of the XB complex (I2:Cip) was attested using a modified Benesi-Hildebrand method. 1H NMR spectra showed that the iodine molecule can interact with three nitrogen atoms of Cip to form three XBs. FT-IR spectra indicated that the nitrogen atom of the imino group is the preferential interaction site of the XB. Notably, direct analysis in real time-mass spectrometry (DART-MS) gave a distinct quasi-molecular ion of the supramolecular complex (Cip + I) in solution. Meanwhile, density functional theory (DFT), taking into account the dispersion energy, revealed that the formation of an I⋯N XB not only disrupts the PET charge separation process of Cip to enhance fluorescence but also induces the cleavage of an iodine molecule (I-I) to produce a triiodine anion (I3 -) XB. This explained why I3 - was observed in UV-Vis and DART-MS as well as in the crystal, and how the fourth iodine atom involved in the self-assembly of the XB existed stably. Moreover, a developed optosensor based on halogen bonding has been successfully used to analyze commercial Cip·HCl capsules, suggesting the potential applicability of halogen bonding in real pharmaceutical analyses.},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {New J. Chem.},\n\tauthor = {Zou, Wen-Sheng and Lin, Sen and Li, Jia-Yuan and Wei, Hong-Qing and Zhang, Xiao-Qin and Shen, Dong-Xu and Qiao, Jun-Qin and Lian, Hong-Zhen and Xie, Dai-Qian and Ge, Xin},\n\tyear = {2015},\n\tpages = {262--272},\n}\n\n\n\n
\n
\n\n\n
\n In this paper, a strong halogen bond (XB) donor (iodine) and photoinduced electron transfer (PET) molecule (ciprofloxacin, Cip) were selected with the objective to investigate halogen bonding under weakly alkaline conditions. A series of experimental characterization techniques was employed to elucidate the interaction mechanism of the XB, in combination with theoretical calculations. It is found that new UV-Vis absorption peaks and the fluorescence enhancement with the mixing of Cip and iodine are attributed to the disruption of the PET charge separation process through the halogen bonding interaction. The 2:1 stoichiometry of the XB complex (I2:Cip) was attested using a modified Benesi-Hildebrand method. 1H NMR spectra showed that the iodine molecule can interact with three nitrogen atoms of Cip to form three XBs. FT-IR spectra indicated that the nitrogen atom of the imino group is the preferential interaction site of the XB. Notably, direct analysis in real time-mass spectrometry (DART-MS) gave a distinct quasi-molecular ion of the supramolecular complex (Cip + I) in solution. Meanwhile, density functional theory (DFT), taking into account the dispersion energy, revealed that the formation of an I⋯N XB not only disrupts the PET charge separation process of Cip to enhance fluorescence but also induces the cleavage of an iodine molecule (I-I) to produce a triiodine anion (I3 -) XB. This explained why I3 - was observed in UV-Vis and DART-MS as well as in the crystal, and how the fourth iodine atom involved in the self-assembly of the XB existed stably. Moreover, a developed optosensor based on halogen bonding has been successfully used to analyze commercial Cip·HCl capsules, suggesting the potential applicability of halogen bonding in real pharmaceutical analyses.\n
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\n \n\n \n \n \n \n \n \n Office Chromatography: Precise printing of sample solutions on miniaturized thin-layer phases and utilization for scanning Direct Analysis in Real Time mass spectrometry.\n \n \n \n \n\n\n \n Häbe, T. T.; and Morlock, G. E.\n\n\n \n\n\n\n Journal of Chromatography A, 1413: 127–134. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"OfficePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{habe_office_2015,\n\ttitle = {Office {Chromatography}: {Precise} printing of sample solutions on miniaturized thin-layer phases and utilization for scanning {Direct} {Analysis} in {Real} {Time} mass spectrometry},\n\tvolume = {1413},\n\tissn = {00219673},\n\tshorttitle = {Office {Chromatography}},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0021967315011309},\n\tdoi = {10.1016/j.chroma.2015.08.003},\n\tabstract = {Office Chromatography combines achievements in office technologies with miniaturized planar chromatography. In the life sciences, printing of materials became an accepted technique, whereas in separation science, the use of printers for chromatography is at its infancy. A bubble-jet printer was modified for exact application on miniaturized plates. Technical modifications included the removal of all unnecessary parts and the improvement of the positioning system, purge unit and sample supply system. Evaluation was performed via a slide scanner and image evaluation software. Printing of a food dye mixture solution (n=5) led to a calculated mean deposition volume of 13±1nL/mm2 per print-cycle. A mean determination coefficient (R2; n=5) of 0.9990 was obtained for application of increasing volumes, executed via increasing band widths of 50-200μm (corresponding to 2-8nL). Using larger band widths and multiple print jobs, deposition volumes of up to the microliter scale represented an alternative to cost-intensive standard equipment. After print, separation, detection and digital evaluation of five food dyes, mean R2 (n=5) were obtained between 0.9977 and 0.9995. The accuracy of printing was proven by mean recovery rates of 101-105\\% with repeatabilities of 3-7\\% (\\%RSD, n=5). The transfer to nanostructured ultrathin-layer plates proved the synergetic potential of these fields of research. First, this modified printer was suited for printing of finely graduated scales of three preservatives for determination of the spatial resolution of scanning Direct Analysis in Real Time mass spectrometry.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Häbe, Tim T. and Morlock, Gertrud E.},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {127--134},\n}\n\n\n\n
\n
\n\n\n
\n Office Chromatography combines achievements in office technologies with miniaturized planar chromatography. In the life sciences, printing of materials became an accepted technique, whereas in separation science, the use of printers for chromatography is at its infancy. A bubble-jet printer was modified for exact application on miniaturized plates. Technical modifications included the removal of all unnecessary parts and the improvement of the positioning system, purge unit and sample supply system. Evaluation was performed via a slide scanner and image evaluation software. Printing of a food dye mixture solution (n=5) led to a calculated mean deposition volume of 13±1nL/mm2 per print-cycle. A mean determination coefficient (R2; n=5) of 0.9990 was obtained for application of increasing volumes, executed via increasing band widths of 50-200μm (corresponding to 2-8nL). Using larger band widths and multiple print jobs, deposition volumes of up to the microliter scale represented an alternative to cost-intensive standard equipment. After print, separation, detection and digital evaluation of five food dyes, mean R2 (n=5) were obtained between 0.9977 and 0.9995. The accuracy of printing was proven by mean recovery rates of 101-105% with repeatabilities of 3-7% (%RSD, n=5). The transfer to nanostructured ultrathin-layer plates proved the synergetic potential of these fields of research. First, this modified printer was suited for printing of finely graduated scales of three preservatives for determination of the spatial resolution of scanning Direct Analysis in Real Time mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Comparison of the applicability of mass spectrometer ion sources using a polarity-molecular weight scattergram with a 600 sample in-house chemical library.\n \n \n \n \n\n\n \n Sugimura, N.; Furuya, A.; Yatsu, T.; and Shibue, T.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 21(2): 91. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"ComparisonPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sugimura_comparison_2015,\n\ttitle = {Comparison of the applicability of mass spectrometer ion sources using a polarity-molecular weight scattergram with a 600 sample in-house chemical library},\n\tvolume = {21},\n\tissn = {1356-1049},\n\turl = {http://www.impublications.com/content/abstract?code=E21_0091},\n\tdoi = {10.1255/ejms.1345},\n\tabstract = {To provide a practical guideline for the selection of a mass spectrometer ion source, we compared the applicability of three types of ion source: direct analysis in real time (DART), electrospray ionization (ESI) and fast atom bombardment (FAB), using an in-house high-resolution mass spectrometry sample library consisting of approximately 600 compounds. The great majority of the compounds (92\\%), whose molecular weights (MWs) were broadly distributed between 150 and 1000, were detected using all the ion sources. Nevertheless, some compounds were not detected using specific ion sources. The use of FAB resulted in the highest sample detection rate ({\\textgreater}98\\%), whereas the detection rates obtained using DART and ESI were slightly lower ({\\textgreater}96\\%). A scattergram constructed using MW and topological polar surface area (tPSA) as a substitute for molecular polarity showed that the performance of ESI was weak in the low-MW ({\\textless}400), low-polarity (tPSA {\\textless} 60) area, whereas the performance of DART was weak in the high-MW ({\\textgreater}800) area. These results might provide guidelines for the selection of ion sources for inexperienced mass spectrometry users.},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-01-28},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Sugimura, Natsuhiko and Furuya, Asami and Yatsu, Takahiro and Shibue, Toshimichi},\n\tyear = {2015},\n\tpages = {91},\n}\n\n\n\n
\n
\n\n\n
\n To provide a practical guideline for the selection of a mass spectrometer ion source, we compared the applicability of three types of ion source: direct analysis in real time (DART), electrospray ionization (ESI) and fast atom bombardment (FAB), using an in-house high-resolution mass spectrometry sample library consisting of approximately 600 compounds. The great majority of the compounds (92%), whose molecular weights (MWs) were broadly distributed between 150 and 1000, were detected using all the ion sources. Nevertheless, some compounds were not detected using specific ion sources. The use of FAB resulted in the highest sample detection rate (\\textgreater98%), whereas the detection rates obtained using DART and ESI were slightly lower (\\textgreater96%). A scattergram constructed using MW and topological polar surface area (tPSA) as a substitute for molecular polarity showed that the performance of ESI was weak in the low-MW (\\textless400), low-polarity (tPSA \\textless 60) area, whereas the performance of DART was weak in the high-MW (\\textgreater800) area. These results might provide guidelines for the selection of ion sources for inexperienced mass spectrometry users.\n
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\n \n\n \n \n \n \n \n \n Sensitivity and intensity enhancement in open air mass spectrometry assisted with a continuous wave infrared laser.\n \n \n \n \n\n\n \n Lu, Y.; Zhou, Y. S.; Qiu, W.; Huang, X.; Gao, Y.; Liu, L.; Lei, Y. T.; Zhang, T. C.; Jiang, L.; Silvain, J. F.; and Lu, Y. F.\n\n\n \n\n\n\n J. Anal. At. Spectrom., 30(7): 1663–1667. 2015.\n \n\n\n\n
\n\n\n\n \n \n \"SensitivityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lu_sensitivity_2015,\n\ttitle = {Sensitivity and intensity enhancement in open air mass spectrometry assisted with a continuous wave infrared laser},\n\tvolume = {30},\n\tissn = {0267-9477, 1364-5544},\n\turl = {http://xlink.rsc.org/?DOI=C5JA00084J},\n\tdoi = {10.1039/C5JA00084J},\n\tabstract = {To improve signal-to-noise ratios (SNRs) in open air mass spectrometry, a laser-assisted, direct-analysis-in-real-time (DART) mass spectrometer (LA-DART-MS) was developed by integrating a continuous wave (CW) infrared (IR) laser into an open air DART-MS. The CW IR laser (wavelength of 1070 nm) was used to assist the desorption of analytes and promote the reactivity of protonated water from the DART ion source. Using the LA-DART-MS, SNRs of Rhodamine 6G (R6G), urea, and testosterone were enhanced by factors of 31, 11, and 4, respectively, compared with the conventional DART-MS. The sensitivity enhancement was ascribed to the increased analyte concentration in air and activated protonated water induced by the IR laser irradiation.},\n\tlanguage = {en},\n\tnumber = {7},\n\turldate = {2016-01-28},\n\tjournal = {J. Anal. At. Spectrom.},\n\tauthor = {Lu, Y. and Zhou, Y. S. and Qiu, W. and Huang, X. and Gao, Y. and Liu, L. and Lei, Y. T. and Zhang, T. C. and Jiang, L. and Silvain, J. F. and Lu, Y. F.},\n\tyear = {2015},\n\tpages = {1663--1667},\n}\n\n\n\n
\n
\n\n\n
\n To improve signal-to-noise ratios (SNRs) in open air mass spectrometry, a laser-assisted, direct-analysis-in-real-time (DART) mass spectrometer (LA-DART-MS) was developed by integrating a continuous wave (CW) infrared (IR) laser into an open air DART-MS. The CW IR laser (wavelength of 1070 nm) was used to assist the desorption of analytes and promote the reactivity of protonated water from the DART ion source. Using the LA-DART-MS, SNRs of Rhodamine 6G (R6G), urea, and testosterone were enhanced by factors of 31, 11, and 4, respectively, compared with the conventional DART-MS. The sensitivity enhancement was ascribed to the increased analyte concentration in air and activated protonated water induced by the IR laser irradiation.\n
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\n \n\n \n \n \n \n \n \n Ambient Ionization Techniques.\n \n \n \n \n\n\n \n Farré, M.; and Barceló, D.\n\n\n \n\n\n\n In Comprehensive Analytical Chemistry, volume 68, pages 245–273. Elsevier, 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{farre_ambient_2015,\n\ttitle = {Ambient {Ionization} {Techniques}},\n\tvolume = {68},\n\tisbn = {978-0-444-63340-8},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/B9780444633408000042},\n\tabstract = {The Food Authorities are intensifying their efforts to assess the risks to human health from the exposure to (natural and anthropogenic) food contaminants. Therefore, regular surveillance studies are required to monitor the increasing number of toxicant residues in food. In this sense, an essential component is the development of new analytical approaches to reduce sample manipulation time and analysis costs without compromising the reliability of the results.This chapter will assess the prospects of the different ambient ionization techniques such as the direct analysis in real time (DART), desorption atmospheric pressure chemical ionization (DAPCI), low-temperature plasma ionization (LTP), and atmospheric solids analysis probe (ASAP) coupled to various types of MS analyzers for both target and nontarget analysis of complex food matrices. The prospects of these techniques as a simple, high-throughput tool for qualitative confirmation of chemical identity; metabolomic fingerprinting/profiling; and quantification of food components are presented and discussed.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tbooktitle = {Comprehensive {Analytical} {Chemistry}},\n\tpublisher = {Elsevier},\n\tauthor = {Farré, Marinella and Barceló, Damià},\n\tyear = {2015},\n\tpages = {245--273},\n}\n\n\n\n
\n
\n\n\n
\n The Food Authorities are intensifying their efforts to assess the risks to human health from the exposure to (natural and anthropogenic) food contaminants. Therefore, regular surveillance studies are required to monitor the increasing number of toxicant residues in food. In this sense, an essential component is the development of new analytical approaches to reduce sample manipulation time and analysis costs without compromising the reliability of the results.This chapter will assess the prospects of the different ambient ionization techniques such as the direct analysis in real time (DART), desorption atmospheric pressure chemical ionization (DAPCI), low-temperature plasma ionization (LTP), and atmospheric solids analysis probe (ASAP) coupled to various types of MS analyzers for both target and nontarget analysis of complex food matrices. The prospects of these techniques as a simple, high-throughput tool for qualitative confirmation of chemical identity; metabolomic fingerprinting/profiling; and quantification of food components are presented and discussed.\n
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\n \n\n \n \n \n \n \n \n DART–TOF–MS based metabolomics study for the discrimination analysis of geographical origin of Angelica gigas roots collected from Korea and China.\n \n \n \n \n\n\n \n Kim, H. J.; Seo, Y. T.; Park, S.; Jeong, S. H.; Kim, M. K.; and Jang, Y. P.\n\n\n \n\n\n\n Metabolomics, 11(1): 64–70. February 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DART–TOF–MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{kim_darttofms_2015,\n\ttitle = {{DART}–{TOF}–{MS} based metabolomics study for the discrimination analysis of geographical origin of {Angelica} gigas roots collected from {Korea} and {China}},\n\tvolume = {11},\n\tissn = {1573-3882, 1573-3890},\n\turl = {http://link.springer.com/10.1007/s11306-014-0671-9},\n\tdoi = {10.1007/s11306-014-0671-9},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Metabolomics},\n\tauthor = {Kim, Hye Jin and Seo, Yong Taek and Park, Sang-il and Jeong, Se Hee and Kim, Min Kyoung and Jang, Young Pyo},\n\tmonth = feb,\n\tyear = {2015},\n\tpages = {64--70},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Detection of “Bath Salt” Synthetic Cathinones and Metabolites in Urine via DART-MS and Solid Phase Microextraction.\n \n \n \n \n\n\n \n LaPointe, J.; Musselman, B.; O’Neill, T.; and Shepard, J. R. E.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 26(1): 159–165. January 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lapointe_detection_2015,\n\ttitle = {Detection of “{Bath} {Salt}” {Synthetic} {Cathinones} and {Metabolites} in {Urine} via {DART}-{MS} and {Solid} {Phase} {Microextraction}},\n\tvolume = {26},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-014-1006-9},\n\tdoi = {10.1007/s13361-014-1006-9},\n\tlanguage = {en},\n\tnumber = {1},\n\turldate = {2016-01-28},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {LaPointe, Joseph and Musselman, Brian and O’Neill, Teresa and Shepard, Jason R. E.},\n\tmonth = jan,\n\tyear = {2015},\n\tpages = {159--165},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Analysis of anabolic androgenic steroids by direct analysis in real time ionization with time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Prokudina, E.; Prchalová, J.; Vyšatová, E.; Kuchař, M.; Rajchl, A.; and Lapčík, O.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 392: 28–33. December 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{prokudina_analysis_2015,\n\ttitle = {Analysis of anabolic androgenic steroids by direct analysis in real time ionization with time-of-flight mass spectrometry},\n\tvolume = {392},\n\tissn = {13873806},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1387380615002730},\n\tdoi = {10.1016/j.ijms.2015.08.022},\n\tabstract = {We verified applicability of direct analysis in real time ionization coupled with a time-of-flight mass spectrometer (DART-MS) for detection of anabolic androgenic steroids in supplements and pharmaceuticals. DART-MS was optimized for the analysis of eleven frequently misused anabolic androgenic steroids and their derivatives. Real supplement tablets and injectable oil solutions were used to verify applicability of the method. It was found that anabolic androgenic steroids can be analyzed directly without any sample pre-treatment, which reduces the sample preparation time and hence the overall analysis time. The resulting DART-MS method is suitable for rapid routine qualitative screening of anabolic androgenic steroids in simple sample matrices. It has a great potential in the field of adulterated and counterfeited anabolic steroid pharmaceuticals and supplements.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Prokudina, E.A. and Prchalová, J. and Vyšatová, E. and Kuchař, M. and Rajchl, A. and Lapčík, O.},\n\tmonth = dec,\n\tyear = {2015},\n\tpages = {28--33},\n}\n\n\n\n
\n
\n\n\n
\n We verified applicability of direct analysis in real time ionization coupled with a time-of-flight mass spectrometer (DART-MS) for detection of anabolic androgenic steroids in supplements and pharmaceuticals. DART-MS was optimized for the analysis of eleven frequently misused anabolic androgenic steroids and their derivatives. Real supplement tablets and injectable oil solutions were used to verify applicability of the method. It was found that anabolic androgenic steroids can be analyzed directly without any sample pre-treatment, which reduces the sample preparation time and hence the overall analysis time. The resulting DART-MS method is suitable for rapid routine qualitative screening of anabolic androgenic steroids in simple sample matrices. It has a great potential in the field of adulterated and counterfeited anabolic steroid pharmaceuticals and supplements.\n
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\n \n\n \n \n \n \n \n \n An approach of evaluating the effect of vinylene carbonate additive on graphite anode for lithium ion battery at elevated temperature.\n \n \n \n \n\n\n \n Liu, Y.; Takeda, S.; Kaneko, I.; Yoshitake, H.; Yanagida, M.; Saito, Y.; and Sakai, T.\n\n\n \n\n\n\n Electrochemistry Communications, 61: 70–73. December 2015.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{liu_approach_2015,\n\ttitle = {An approach of evaluating the effect of vinylene carbonate additive on graphite anode for lithium ion battery at elevated temperature},\n\tvolume = {61},\n\tissn = {13882481},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1388248115002891},\n\tdoi = {10.1016/j.elecom.2015.10.008},\n\tabstract = {An approach is proposed to evaluate the VC effect in a LiFePO4/graphite cell at 60 °C through liquid chromatography mass spectrometry (LC-MS) together with direct analysis in real time mass spectrometry (DART-MS). The LC-MS result shows that VC can effectively suppress the formation of phosphate esters as well as carbonate oligomers during the electrochemical cycling. It is also known from DART-MS analysis that VC assists the formation of thermally resistant oligomeric phosphate ester layer on the graphite surface, storing more solvent EC inside the layer. On the other hand, no compounds are observed on the LiFePO4 cathode surface. The formation of the denser oligomeric phosphate ester layer is found to be the reason for the improved cycle stability of the cell cycled at elevated temperature.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Electrochemistry Communications},\n\tauthor = {Liu, Yi-Hung and Takeda, Sahori and Kaneko, Ikue and Yoshitake, Hideya and Yanagida, Masahiro and Saito, Yuria and Sakai, Tetsuo},\n\tmonth = dec,\n\tyear = {2015},\n\tpages = {70--73},\n}\n\n\n\n
\n
\n\n\n
\n An approach is proposed to evaluate the VC effect in a LiFePO4/graphite cell at 60 °C through liquid chromatography mass spectrometry (LC-MS) together with direct analysis in real time mass spectrometry (DART-MS). The LC-MS result shows that VC can effectively suppress the formation of phosphate esters as well as carbonate oligomers during the electrochemical cycling. It is also known from DART-MS analysis that VC assists the formation of thermally resistant oligomeric phosphate ester layer on the graphite surface, storing more solvent EC inside the layer. On the other hand, no compounds are observed on the LiFePO4 cathode surface. The formation of the denser oligomeric phosphate ester layer is found to be the reason for the improved cycle stability of the cell cycled at elevated temperature.\n
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\n \n\n \n \n \n \n \n \n Identification of bacteria by fatty acid profiling with direct analysis in real time mass spectrometry: Bacteria identification by DART fatty acid profiling.\n \n \n \n \n\n\n \n Cody, R. B.; McAlpin, C. R.; Cox, C. R.; Jensen, K. R.; and Voorhees, K. J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(21): 2007–2012. November 2015.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cody_identification_2015,\n\ttitle = {Identification of bacteria by fatty acid profiling with direct analysis in real time mass spectrometry: {Bacteria} identification by {DART} fatty acid profiling},\n\tvolume = {29},\n\tissn = {09514198},\n\tshorttitle = {Identification of bacteria by fatty acid profiling with direct analysis in real time mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7309},\n\tdoi = {10.1002/rcm.7309},\n\tabstract = {Rationale Bacterial fatty acid profiling is a well-established technique for bacterial identification. Current methods involving esterification and gas chromatography/mass spectrometry (GC/MS) or matrix-assisted laser desorption/ionization (MALDI) analysis are effective, but there are potential benefits to be gained by investigating ambient ionization methods that can provide rapid analysis without derivatization or additional sample handling. Methods Lipid extracts from colonies of five Gram-positive and five Gram-negative pathogenic bacteria were analyzed by Direct Analysis in Real Time (DART) ionization coupled with a time-of-flight mass spectrometer. Fatty acid profiles were obtained from the negative-ion DART mass spectra without additional derivatization or sample preparation. Results Fatty acid profiles obtained from the deprotonated molecules [M - H]- were found to be highly species-specific and reproducible. Leave-one-out cross validation (LOOCV) for principal component analysis (PCA) showed 100\\% correct classification accuracy. Conclusions The results of this preliminary feasibility study show good precision and accuracy, and the fatty acid patterns are clearly distinctive for each of the ten species examined. The speed and ease of analysis and the high classification accuracy for this initial study indicate that DART is an effective method for bacterial fatty acid profiling.},\n\tlanguage = {en},\n\tnumber = {21},\n\turldate = {2016-01-29},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Cody, Robert B. and McAlpin, Casey R. and Cox, Christopher R. and Jensen, Kirk R. and Voorhees, Kent J.},\n\tmonth = nov,\n\tyear = {2015},\n\tpages = {2007--2012},\n}\n\n\n\n
\n
\n\n\n
\n Rationale Bacterial fatty acid profiling is a well-established technique for bacterial identification. Current methods involving esterification and gas chromatography/mass spectrometry (GC/MS) or matrix-assisted laser desorption/ionization (MALDI) analysis are effective, but there are potential benefits to be gained by investigating ambient ionization methods that can provide rapid analysis without derivatization or additional sample handling. Methods Lipid extracts from colonies of five Gram-positive and five Gram-negative pathogenic bacteria were analyzed by Direct Analysis in Real Time (DART) ionization coupled with a time-of-flight mass spectrometer. Fatty acid profiles were obtained from the negative-ion DART mass spectra without additional derivatization or sample preparation. Results Fatty acid profiles obtained from the deprotonated molecules [M - H]- were found to be highly species-specific and reproducible. Leave-one-out cross validation (LOOCV) for principal component analysis (PCA) showed 100% correct classification accuracy. Conclusions The results of this preliminary feasibility study show good precision and accuracy, and the fatty acid patterns are clearly distinctive for each of the ten species examined. The speed and ease of analysis and the high classification accuracy for this initial study indicate that DART is an effective method for bacterial fatty acid profiling.\n
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\n \n\n \n \n \n \n \n \n Rapid determination of 1-deoxynojirimycin in Morus alba L. leaves by direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Xu, B.; Zhang, D.; Liu, Z.; Zhang, Y.; Liu, L.; Li, L.; Liu, C. C.; and Wu, G.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 114: 447–454. October 2015.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{xu_rapid_2015,\n\ttitle = {Rapid determination of 1-deoxynojirimycin in {Morus} alba {L}. leaves by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {114},\n\tissn = {07317085},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0731708515300273},\n\tdoi = {10.1016/j.jpba.2015.06.010},\n\tabstract = {A new method based on a Direct Analysis in Real Time (DART) ionization source coupled with triple quadrupole tandem mass spectrometry has been developed for rapid qualitative and quantitative analyses of 1-deoxynojirimycin (DNJ) in mulberry leaves. Two ions produced from DNJ, [M+H]+ (m/z 164) and [M-2H+H]+ (m/z 162), are observed using DART-MS in the positive ion mode. The peak areas of the two selected ions monitoring (SIM) signals of ([M+H]+ (m/z 164) and [M-2H+H]+ (m/z 162)) are integrated to determine the peak area for quantitative analyses. A reasonable linear regression equation is obtained in the range of 1.01 to 40.50μg/mL, with a linear coefficient (R2) of 0.996. The limits of detection (LOD) and quantification (LOQ) of the method are 0.25 and 0.80μg/mL, respectively. The range of recovery is shown to be 87.73-95.61\\%. The results derived from the developed DART-MS method are in good agreement with those from the conventional HPLC-FLD method. By contrast, DART-MS in SIM mode is a simple, rapid and high-throughput approach for the determination of the DNJ content in mulberry leaves. The present method is advantageous for the rapid screening of mulberry leaves containing high DNJ contents.},\n\tlanguage = {en},\n\turldate = {2016-01-29},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Xu, Bin and Zhang, Dong-Yang and Liu, Ze-Yu and Zhang, Ying and Liu, Li and Li, Long and Liu, Charles C. and Wu, Guo-Hua},\n\tmonth = oct,\n\tyear = {2015},\n\tpages = {447--454},\n}\n\n\n\n
\n
\n\n\n
\n A new method based on a Direct Analysis in Real Time (DART) ionization source coupled with triple quadrupole tandem mass spectrometry has been developed for rapid qualitative and quantitative analyses of 1-deoxynojirimycin (DNJ) in mulberry leaves. Two ions produced from DNJ, [M+H]+ (m/z 164) and [M-2H+H]+ (m/z 162), are observed using DART-MS in the positive ion mode. The peak areas of the two selected ions monitoring (SIM) signals of ([M+H]+ (m/z 164) and [M-2H+H]+ (m/z 162)) are integrated to determine the peak area for quantitative analyses. A reasonable linear regression equation is obtained in the range of 1.01 to 40.50μg/mL, with a linear coefficient (R2) of 0.996. The limits of detection (LOD) and quantification (LOQ) of the method are 0.25 and 0.80μg/mL, respectively. The range of recovery is shown to be 87.73-95.61%. The results derived from the developed DART-MS method are in good agreement with those from the conventional HPLC-FLD method. By contrast, DART-MS in SIM mode is a simple, rapid and high-throughput approach for the determination of the DNJ content in mulberry leaves. The present method is advantageous for the rapid screening of mulberry leaves containing high DNJ contents.\n
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\n \n\n \n \n \n \n \n \n Evaluation of ice-tea quality by DART-TOF/MS: Evaluation of ice-tea quality by DART-TOF/MS.\n \n \n \n \n\n\n \n Rajchl, A.; Prchalová, J.; Kružík, V.; Ševčík, R.; and Čížková, H.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 50(11): 1214–1221. November 2015.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{rajchl_evaluation_2015,\n\ttitle = {Evaluation of ice-tea quality by {DART}-{TOF}/{MS}: {Evaluation} of ice-tea quality by {DART}-{TOF}/{MS}},\n\tvolume = {50},\n\tissn = {10765174},\n\tshorttitle = {Evaluation of ice-tea quality by {DART}-{TOF}/{MS}},\n\turl = {http://doi.wiley.com/10.1002/jms.3639},\n\tdoi = {10.1002/jms.3639},\n\tabstract = {DART (Direct Analysis in Real Time) coupled with Time-of-Flight Mass Spectrometry (TOF/MS) has been used for analyses of ice-teas. The article focuses on quality and authenticity of ice-teas as one of the most important tea-based products on the market. Twenty-one samples of ice-teas (black and green) were analysed. Selected compounds of ice-teas were determined: theobromine, caffeine, total phenolic compounds, total soluble solids, total amino acid concentration, preservatives and saccharides were determined. Fingerprints of DART-TOF/MS spectra were used for comprehensive assessment of the ice-tea samples. The DART-TOF/MS method was used for monitoring the following compounds: citric acid, caffeine, saccharides, artificial sweeteners (saccharin, acesulphame K), and preservatives (sorbic and benzoic acid), phosphoric acid and phenolic compounds. The measured data were subjected to a principal components analysis. The HPLC and DART-TOF/MS methods were compared in terms of determination of selected compounds (caffeine, benzoic acid, sorbic acid and saccharides) in the ice-teas. The DART-TOF/MS technique seems to be a suitable method for fast screening, testing quality and authenticity of tea-based products.},\n\tlanguage = {en},\n\tnumber = {11},\n\turldate = {2016-01-29},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Rajchl, Aleš and Prchalová, Jana and Kružík, Vojtěch and Ševčík, Rudolf and Čížková, Helena},\n\tmonth = nov,\n\tyear = {2015},\n\tpages = {1214--1221},\n}\n\n\n\n
\n
\n\n\n
\n DART (Direct Analysis in Real Time) coupled with Time-of-Flight Mass Spectrometry (TOF/MS) has been used for analyses of ice-teas. The article focuses on quality and authenticity of ice-teas as one of the most important tea-based products on the market. Twenty-one samples of ice-teas (black and green) were analysed. Selected compounds of ice-teas were determined: theobromine, caffeine, total phenolic compounds, total soluble solids, total amino acid concentration, preservatives and saccharides were determined. Fingerprints of DART-TOF/MS spectra were used for comprehensive assessment of the ice-tea samples. The DART-TOF/MS method was used for monitoring the following compounds: citric acid, caffeine, saccharides, artificial sweeteners (saccharin, acesulphame K), and preservatives (sorbic and benzoic acid), phosphoric acid and phenolic compounds. The measured data were subjected to a principal components analysis. The HPLC and DART-TOF/MS methods were compared in terms of determination of selected compounds (caffeine, benzoic acid, sorbic acid and saccharides) in the ice-teas. The DART-TOF/MS technique seems to be a suitable method for fast screening, testing quality and authenticity of tea-based products.\n
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\n \n\n \n \n \n \n \n \n A High Throughput Ambient Mass Spectrometric Approach to Species Identification and Classification from Chemical Fingerprint Signatures.\n \n \n \n \n\n\n \n Musah, R. A.; Espinoza, E. O.; Cody, R. B.; Lesiak, A. D.; Christensen, E. D.; Moore, H. E.; Maleknia, S.; and Drijfhout, F. P.\n\n\n \n\n\n\n Scientific Reports, 5: 11520. July 2015.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{musah_high_2015,\n\ttitle = {A {High} {Throughput} {Ambient} {Mass} {Spectrometric} {Approach} to {Species} {Identification} and {Classification} from {Chemical} {Fingerprint} {Signatures}},\n\tvolume = {5},\n\tissn = {2045-2322},\n\turl = {http://www.nature.com/articles/srep11520},\n\tdoi = {10.1038/srep11520},\n\tabstract = {A high throughput method for species identification and classification through chemometric processing of direct analysis in real time (DART) mass spectrometry-derived fingerprint signatures has been developed. The method entails introduction of samples to the open air space between the DART ion source and the mass spectrometer inlet, with the entire observed mass spectral fingerprint subjected to unsupervised hierarchical clustering processing. A range of both polar and non-polar chemotypes are instantaneously detected. The result is identification and species level classification based on the entire DART-MS spectrum. Here, we illustrate how the method can be used to: (1) distinguish between endangered woods regulated by the Convention for the International Trade of Endangered Flora and Fauna (CITES) treaty; (2) assess the origin and by extension the properties of biodiesel feedstocks; (3) determine insect species from analysis of puparial casings; (4) distinguish between psychoactive plants products; and (5) differentiate between Eucalyptus species. An advantage of the hierarchical clustering approach to processing of the DART-MS derived fingerprint is that it shows both similarities and differences between species based on their chemotypes. Furthermore, full knowledge of the identities of the constituents contained within the small molecule profile of analyzed samples is not required.},\n\turldate = {2016-01-28},\n\tjournal = {Scientific Reports},\n\tauthor = {Musah, Rabi A. and Espinoza, Edgard O. and Cody, Robert B. and Lesiak, Ashton D. and Christensen, Earl D. and Moore, Hannah E. and Maleknia, Simin and Drijfhout, Falko P.},\n\tmonth = jul,\n\tyear = {2015},\n\tpages = {11520},\n}\n\n\n\n
\n
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\n A high throughput method for species identification and classification through chemometric processing of direct analysis in real time (DART) mass spectrometry-derived fingerprint signatures has been developed. The method entails introduction of samples to the open air space between the DART ion source and the mass spectrometer inlet, with the entire observed mass spectral fingerprint subjected to unsupervised hierarchical clustering processing. A range of both polar and non-polar chemotypes are instantaneously detected. The result is identification and species level classification based on the entire DART-MS spectrum. Here, we illustrate how the method can be used to: (1) distinguish between endangered woods regulated by the Convention for the International Trade of Endangered Flora and Fauna (CITES) treaty; (2) assess the origin and by extension the properties of biodiesel feedstocks; (3) determine insect species from analysis of puparial casings; (4) distinguish between psychoactive plants products; and (5) differentiate between Eucalyptus species. An advantage of the hierarchical clustering approach to processing of the DART-MS derived fingerprint is that it shows both similarities and differences between species based on their chemotypes. Furthermore, full knowledge of the identities of the constituents contained within the small molecule profile of analyzed samples is not required.\n
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\n \n\n \n \n \n \n \n \n Differentiation of Disaccharide Isomers by Temperature-Dependent In-Source Decay (TDISD) and DART-Q-TOF MS/MS.\n \n \n \n \n\n\n \n Yang, H.; Shi, L.; Yao, W.; Wang, Y.; Huang, L.; Wan, D.; and Liu, S.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 26(9): 1599–1605. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DifferentiationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{yang_differentiation_2015,\n\ttitle = {Differentiation of {Disaccharide} {Isomers} by {Temperature}-{Dependent} {In}-{Source} {Decay} ({TDISD}) and {DART}-{Q}-{TOF} {MS}/{MS}},\n\tvolume = {26},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-015-1192-0},\n\tdoi = {10.1007/s13361-015-1192-0},\n\tabstract = {Helium direct analysis in real time (He-DART) mass spectrometry (MS) of some compounds, polysaccharides, for example, usually tends to be challenging because of the occurrence of prominent in-source decay (ISD), which was considered as an undesired side reaction, as it complicated the resulting mass spectra. Our approach is to take advantage of an efficient and practical method termed the temperature-dependent ISD (TDISD) technique combined with fragmentation of the dehydrated dimers using DART Q-TOF tandem mass spectrometry for differentiation of disaccharide isomers. In this study, cross-ring cleavages and non-ovalent complexes were detected in the spectra of the saccharides. It was observed that the gas heater temperature had a significant effect on the absence or presence of signal in DART spectra. At high gas temperature, ions in high mass region began to appear. Based on the types of cross-ring cleavages and noncovalent complexes, disaccharide isomers with different linkage positions can be differentiated in both positive and negative ion modes at a lower DART gas temperature. Additionally, anomeric configurations were assigned on the basis of the relative abundance ratio of m/z 198:342 obtained by the comparison of the positive ion mode tandem mass spectrum of an α isomer dimer generated at higher DART gas temperature and that of the corresponding β one. In general, this method is easy, fast, effective, and robust for identifying disaccharide isomers.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-29},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Yang, Hongmei and Shi, Lei and Yao, Wenbin and Wang, Yang and Huang, Liang and Wan, Debin and Liu, Shuying},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {1599--1605},\n}\n\n\n\n
\n
\n\n\n
\n Helium direct analysis in real time (He-DART) mass spectrometry (MS) of some compounds, polysaccharides, for example, usually tends to be challenging because of the occurrence of prominent in-source decay (ISD), which was considered as an undesired side reaction, as it complicated the resulting mass spectra. Our approach is to take advantage of an efficient and practical method termed the temperature-dependent ISD (TDISD) technique combined with fragmentation of the dehydrated dimers using DART Q-TOF tandem mass spectrometry for differentiation of disaccharide isomers. In this study, cross-ring cleavages and non-ovalent complexes were detected in the spectra of the saccharides. It was observed that the gas heater temperature had a significant effect on the absence or presence of signal in DART spectra. At high gas temperature, ions in high mass region began to appear. Based on the types of cross-ring cleavages and noncovalent complexes, disaccharide isomers with different linkage positions can be differentiated in both positive and negative ion modes at a lower DART gas temperature. Additionally, anomeric configurations were assigned on the basis of the relative abundance ratio of m/z 198:342 obtained by the comparison of the positive ion mode tandem mass spectrum of an α isomer dimer generated at higher DART gas temperature and that of the corresponding β one. In general, this method is easy, fast, effective, and robust for identifying disaccharide isomers.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry (DART-MS) of highly non-polar low molecular weight polyisobutylenes: DART-MS of PIBs.\n \n \n \n \n\n\n \n Nagy, L.; Nagy, T.; Deák, G.; Kuki, Á.; Antal, B.; Zsuga, M.; and Kéki, S.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 50(9): 1071–1078. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{nagy_direct_2015,\n\ttitle = {Direct analysis in real time mass spectrometry ({DART}-{MS}) of highly non-polar low molecular weight polyisobutylenes: {DART}-{MS} of {PIBs}},\n\tvolume = {50},\n\tissn = {10765174},\n\tshorttitle = {Direct analysis in real time mass spectrometry ({DART}-{MS}) of highly non-polar low molecular weight polyisobutylenes},\n\turl = {http://doi.wiley.com/10.1002/jms.3621},\n\tdoi = {10.1002/jms.3621},\n\tabstract = {Low molecular weight polyisobutylenes (PIB) with chlorine, olefin and succinic acid end-groups were studied using direct analysis in real time mass spectrometry (DART-MS). To facilitate the adduct ion formation under DART conditions, NH4Cl as an auxiliary reagent was deposited onto the PIB surface. It was found that chlorinated adduct ions of olefin and chlorine telechelic PIBs, i.e. [M + Cl]- up to m/z 1100, and the deprotonated polyisobutylene succinic acid [M-H]- were formed as observed in the negative ion mode. In the positive ion mode formation of [M + NH4]+, adduct ions were detected. In the tandem mass (MS/MS) spectra of [M + Cl]-, product ions were absent, suggesting a simple dissociation of the precursor [M + Cl]- into a Cl- ion and a neutral M without fragmentation of the PIB backbones. However, structurally important product ions were produced from the corresponding [M + NH4]+ ions, allowing us to obtain valuable information on the arm-length distributions of the PIBs containing aromatic initiator moiety. In addition, a model was developed to interpret the oligomer distributions and the number average molecular weights observed in DART-MS for PIBs and other polymers of low molecular weight.},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-29},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Nagy, Lajos and Nagy, Tibor and Deák, György and Kuki, Ákos and Antal, Borbála and Zsuga, Miklós and Kéki, Sándor},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {1071--1078},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Low molecular weight polyisobutylenes (PIB) with chlorine, olefin and succinic acid end-groups were studied using direct analysis in real time mass spectrometry (DART-MS). To facilitate the adduct ion formation under DART conditions, NH4Cl as an auxiliary reagent was deposited onto the PIB surface. It was found that chlorinated adduct ions of olefin and chlorine telechelic PIBs, i.e. [M + Cl]- up to m/z 1100, and the deprotonated polyisobutylene succinic acid [M-H]- were formed as observed in the negative ion mode. In the positive ion mode formation of [M + NH4]+, adduct ions were detected. In the tandem mass (MS/MS) spectra of [M + Cl]-, product ions were absent, suggesting a simple dissociation of the precursor [M + Cl]- into a Cl- ion and a neutral M without fragmentation of the PIB backbones. However, structurally important product ions were produced from the corresponding [M + NH4]+ ions, allowing us to obtain valuable information on the arm-length distributions of the PIBs containing aromatic initiator moiety. In addition, a model was developed to interpret the oligomer distributions and the number average molecular weights observed in DART-MS for PIBs and other polymers of low molecular weight.\n
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\n \n\n \n \n \n \n \n \n Plant Seed Species Identification from Chemical Fingerprints: A High-Throughput Application of Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Lesiak, A. D.; Cody, R. B.; Dane, A. J.; and Musah, R. A.\n\n\n \n\n\n\n Analytical Chemistry, 87(17): 8748–8757. September 2015.\n \n\n\n\n
\n\n\n\n \n \n \"PlantPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_plant_2015,\n\ttitle = {Plant {Seed} {Species} {Identification} from {Chemical} {Fingerprints}: {A} {High}-{Throughput} {Application} of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {87},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Plant {Seed} {Species} {Identification} from {Chemical} {Fingerprints}},\n\turl = {http://pubs.acs.org/doi/10.1021/acs.analchem.5b01611},\n\tdoi = {10.1021/acs.analchem.5b01611},\n\tabstract = {Plant species identification based on the morphological features of plant parts is a well-established science in botany. However, species identification from seeds has largely been unexplored, despite the fact that the seeds contain all of the genetic information that distinguishes one plant from another. Using seeds of genus Datura plants, we show here that the mass spectrum-derived chemical fingerprints for seeds of the same species are similar. On the other hand, seeds from different species within the same genus display distinct chemical signatures, even though they may contain similar characteristic biomarkers. The intraspecies chemical signature similarities on the one hand, and interspecies fingerprint differences on the other, can be processed by multivariate statistical analysis methods to enable rapid species-level identification and differentiation. The chemical fingerprints can be acquired rapidly and in a high-throughput manner by direct analysis in real time mass spectrometry (DART-MS) analysis of the seeds in their native form, without use of a solvent extract. Importantly, knowledge of the identity of the detected molecules is not required for species level identification. However, confirmation of the presence within the seeds of various characteristic tropane and other alkaloids, including atropine, scopolamine, scopoline, tropine, tropinone, and tyramine, was accomplished by comparison of the in-source collision-induced dissociation (CID) fragmentation patterns of authentic standards, to the fragmentation patterns observed in the seeds when analyzed under similar in-source CID conditions. The advantages, applications, and implications of the chemometric processing of DART-MS derived seed chemical signatures for species level identification and differentiation are discussed.},\n\tlanguage = {en},\n\tnumber = {17},\n\turldate = {2016-01-28},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Lesiak, Ashton D. and Cody, Robert B. and Dane, A. John and Musah, Rabi A.},\n\tmonth = sep,\n\tyear = {2015},\n\tpages = {8748--8757},\n}\n\n\n\n
\n
\n\n\n
\n Plant species identification based on the morphological features of plant parts is a well-established science in botany. However, species identification from seeds has largely been unexplored, despite the fact that the seeds contain all of the genetic information that distinguishes one plant from another. Using seeds of genus Datura plants, we show here that the mass spectrum-derived chemical fingerprints for seeds of the same species are similar. On the other hand, seeds from different species within the same genus display distinct chemical signatures, even though they may contain similar characteristic biomarkers. The intraspecies chemical signature similarities on the one hand, and interspecies fingerprint differences on the other, can be processed by multivariate statistical analysis methods to enable rapid species-level identification and differentiation. The chemical fingerprints can be acquired rapidly and in a high-throughput manner by direct analysis in real time mass spectrometry (DART-MS) analysis of the seeds in their native form, without use of a solvent extract. Importantly, knowledge of the identity of the detected molecules is not required for species level identification. However, confirmation of the presence within the seeds of various characteristic tropane and other alkaloids, including atropine, scopolamine, scopoline, tropine, tropinone, and tyramine, was accomplished by comparison of the in-source collision-induced dissociation (CID) fragmentation patterns of authentic standards, to the fragmentation patterns observed in the seeds when analyzed under similar in-source CID conditions. The advantages, applications, and implications of the chemometric processing of DART-MS derived seed chemical signatures for species level identification and differentiation are discussed.\n
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\n \n\n \n \n \n \n \n \n Quantitative Analysis of Phosphoric Acid Esters in Aqueous Samples by Isotope Dilution Stir-Bar Sorptive Extraction Combined With Direct Analysis in Real Time (DART)-Orbitrap Mass Spectrometry.\n \n \n \n \n\n\n \n Bridoux, M. C.; Malandain, H.; Leprince, F.; Progent, F.; and Machuron-Mandard, X.\n\n\n \n\n\n\n Analytica Chimica Acta, (0). 2015.\n 00000\n\n\n\n
\n\n\n\n \n \n \"QuantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{bridoux_quantitative_2015,\n\ttitle = {Quantitative {Analysis} of {Phosphoric} {Acid} {Esters} in {Aqueous} {Samples} by {Isotope} {Dilution} {Stir}-{Bar} {Sorptive} {Extraction} {Combined} {With} {Direct} {Analysis} in {Real} {Time} ({DART})-{Orbitrap} {Mass} {Spectrometry}},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267015000434},\n\tdoi = {10.1016/j.aca.2015.01.010},\n\tabstract = {ABSTRACT\nA novel hyphenated technique, namely the combination of stir bar sorptive extraction (SBSE) with isotope dilution direct analysis in real time (DART) Orbitrap™ mass spectrometry (OT-MS) is presented for the extraction of phosphoric acid alkyl esters (tri- (TnBP), di- (HDBP), and mono-butyl phosphate (H2MBP)) from aqueous samples. First, SBSE of phosphate esters was performed using a Twister™ coated with 24 μL of polydimethylsiloxane(PDMS) as the extracting phase. SBSE was optimized for extraction pH, phase ratio (PDMS volume/aqueous phase volume), stirring speed, extraction time and temperature. Then, coupling of SBSE to DART/Orbitrap-MS was achieved by placing the Twister™ in the middle of an open-ended glass tube between the DART and the Orbitrap™. The DART mass spectrometric response of phosphate esters was probed using commercially available and synthesized alkyl phosphate ester standards. The positive ion full scan spectra of alkyl phosphate triesters (TnBP) was characterized by the product of self-protonation [M + H]+ and, during collision-induced dissociation (CID), the major fragmentation ions corresponded to consecutive loss of alkyl chains. Negative ionization gave abundant [M-H]− ions for both HDnBP and H2MnBP. Twisters™ coated with PDMS successfully extracted phosphate acid esters (tri-, di- and mono-esters) granted that the analytes are present in the aqueous solution in the neutral form. SBSE/DART/Orbitrap-MS results show a good linearity between the concentrations and relative peak areas for the analytes in the concentration range studied (0.1–750 ng.mL−1). Reproducibility of this SBSE/DART/Orbitrap-MS method was evaluated in terms of \\%RSD by extracting a sample of water fortified with the analytes. The \\%RSDs for TnBP, HDnBP and H2MnBP were 4, 3 and 3\\% (n = 5) using the respective perdeuterated internal standards. Matrix effects were investigated by matrix matched calibration standards using underground water samples (UWS) and river water samples (RWS). Matrix effects were effectively compensated by the addition of the perdeuterated internal standards. The application of this new SBSE/DART/Orbitrap-MS method should be very valuable for on-site sampling/monitoring, limiting the transport of large volumes of water samples from the sampling site to the laboratory.},\n\tnumber = {0},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Bridoux, Maxime C. and Malandain, Hélène and Leprince, Françoise and Progent, Frédéric and Machuron-Mandard, Xavier},\n\tyear = {2015},\n\tnote = {00000},\n\tkeywords = {Direct analysis in real time, High Resolution Mass Spectrometry, Organophosphorus, Stir Bar Sorptive Extraction},\n}\n\n\n\n
\n
\n\n\n
\n ABSTRACT A novel hyphenated technique, namely the combination of stir bar sorptive extraction (SBSE) with isotope dilution direct analysis in real time (DART) Orbitrap™ mass spectrometry (OT-MS) is presented for the extraction of phosphoric acid alkyl esters (tri- (TnBP), di- (HDBP), and mono-butyl phosphate (H2MBP)) from aqueous samples. First, SBSE of phosphate esters was performed using a Twister™ coated with 24 μL of polydimethylsiloxane(PDMS) as the extracting phase. SBSE was optimized for extraction pH, phase ratio (PDMS volume/aqueous phase volume), stirring speed, extraction time and temperature. Then, coupling of SBSE to DART/Orbitrap-MS was achieved by placing the Twister™ in the middle of an open-ended glass tube between the DART and the Orbitrap™. The DART mass spectrometric response of phosphate esters was probed using commercially available and synthesized alkyl phosphate ester standards. The positive ion full scan spectra of alkyl phosphate triesters (TnBP) was characterized by the product of self-protonation [M + H]+ and, during collision-induced dissociation (CID), the major fragmentation ions corresponded to consecutive loss of alkyl chains. Negative ionization gave abundant [M-H]− ions for both HDnBP and H2MnBP. Twisters™ coated with PDMS successfully extracted phosphate acid esters (tri-, di- and mono-esters) granted that the analytes are present in the aqueous solution in the neutral form. SBSE/DART/Orbitrap-MS results show a good linearity between the concentrations and relative peak areas for the analytes in the concentration range studied (0.1–750 ng.mL−1). Reproducibility of this SBSE/DART/Orbitrap-MS method was evaluated in terms of %RSD by extracting a sample of water fortified with the analytes. The %RSDs for TnBP, HDnBP and H2MnBP were 4, 3 and 3% (n = 5) using the respective perdeuterated internal standards. Matrix effects were investigated by matrix matched calibration standards using underground water samples (UWS) and river water samples (RWS). Matrix effects were effectively compensated by the addition of the perdeuterated internal standards. The application of this new SBSE/DART/Orbitrap-MS method should be very valuable for on-site sampling/monitoring, limiting the transport of large volumes of water samples from the sampling site to the laboratory.\n
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\n \n\n \n \n \n \n \n \n Determination of the aflatoxin M1 (AFM1) from milk by direct analysis in real time – mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Busman, M.; Bobell, J. R.; and Maragos, C. M.\n\n\n \n\n\n\n Food Control, 47(0): 592–598. January 2015.\n 00000\n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{busman_determination_2015,\n\ttitle = {Determination of the aflatoxin {M1} ({AFM1}) from milk by direct analysis in real time – mass spectrometry ({DART}-{MS})},\n\tvolume = {47},\n\tissn = {0956-7135},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0956713514004514},\n\tdoi = {10.1016/j.foodcont.2014.08.003},\n\tabstract = {Abstract\nCertain fungi that grow on crops can produce aflatoxins, which are highly carcinogenic. One of these, aflatoxin B1 can be metabolized by mammals to aflatoxin M1, a form that retains potent carcinogenicity and which can be excreted into milk. Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for the rapid quantitative analysis of a common form of aflatoxin, AFM1, extracted from cow milk. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of AFM1. The lowest calibration level (LCL) for aflatoxin AFM1 was 0.1 μg/kg. Quantitative analysis was performed with the use of matrix-matched standards employing a 13C-labeled internal standard for AFM1. DART-MS of spiked milk extracts gave linear response over the range of 0.1–2.5 μg/kg. Good recoveries (94.7–109.2\\%) and repeatabilities (RSD 13.5–9.6\\%) were obtained at spiking levels of 0.5 and 2.0 μg/kg. The results of the study further demonstrate the potential of ambient ionization-MS techniques for the sensitive, convenient and rapid quantitative determination of mycotoxins from difficult matrices.},\n\tnumber = {0},\n\tjournal = {Food Control},\n\tauthor = {Busman, Mark and Bobell, John R. and Maragos, Chris M.},\n\tmonth = jan,\n\tyear = {2015},\n\tnote = {00000},\n\tkeywords = {Aflatoxin, Direct analysis in real time, Mycotoxin, food},\n\tpages = {592--598},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Certain fungi that grow on crops can produce aflatoxins, which are highly carcinogenic. One of these, aflatoxin B1 can be metabolized by mammals to aflatoxin M1, a form that retains potent carcinogenicity and which can be excreted into milk. Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for the rapid quantitative analysis of a common form of aflatoxin, AFM1, extracted from cow milk. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of AFM1. The lowest calibration level (LCL) for aflatoxin AFM1 was 0.1 μg/kg. Quantitative analysis was performed with the use of matrix-matched standards employing a 13C-labeled internal standard for AFM1. DART-MS of spiked milk extracts gave linear response over the range of 0.1–2.5 μg/kg. Good recoveries (94.7–109.2%) and repeatabilities (RSD 13.5–9.6%) were obtained at spiking levels of 0.5 and 2.0 μg/kg. The results of the study further demonstrate the potential of ambient ionization-MS techniques for the sensitive, convenient and rapid quantitative determination of mycotoxins from difficult matrices.\n
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\n \n\n \n \n \n \n \n \n Schlieren visualization of fluid dynamics effects in direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Curtis, M.; Keelor, J. D.; Jones, C. M.; Pittman, J. J.; Jones, P. R.; Sparkman, O. D.; and Fernández, F. M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(5): 431–439. 2015.\n 00000\n\n\n\n
\n\n\n\n \n \n \"SchlierenPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{curtis_schlieren_2015,\n\ttitle = {Schlieren visualization of fluid dynamics effects in direct analysis in real time mass spectrometry},\n\tvolume = {29},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.7119},\n\tdoi = {10.1002/rcm.7119},\n\tabstract = {Rationale\n\nThe success of ambient analysis using plasma-based ion sources depends heavily on fluid dynamics and mass transport efficiency in the sample region. To help characterize the influence of these determining factors, visualization of the gas flow profile for a Direct Analysis in Real Time (DART) ion source at the mass spectrometer atmospheric pressure (AP) interface was performed using the Schlieren technique.\n\nMethods\n\nThe DART helium flow pattern was imaged in model systems incorporating different interface designs, i.e. skimmer or capillary inlet, and for sampling strategies using several types of traditional DART sample probes including a glass capillary, swab, and drug tablet. Notably, Schlieren experiments were conducted on instruments equipped with the gas-ion separator tube (GIST) adapter and Vapur® pump, and on setups featuring the transmission mode (TM) DART module used in standard practice.\n\nResults\n\nDART sources were seen to expel a collimated, highly laminar helium stream across interface distances up to {\\textasciitilde}8 cm. The helium stream was robust to the influence of gas temperature (50–500 °C) and flow rate (≤3.5 L min–1), but considerable DART gas deflection or full disruption was observed in each sampling scenario. The severity of the flow disturbance depended on probe size and placement, the GIST/Vapur® settings, or counter-current gas movements present at the interface.\n\nConclusions\n\nThe real-time Schlieren visualizations introduced in this work provide new insight on the fluid dynamics within the DART-MS sample gap while also helping to identify those experimental parameters requiring optimization for improved transmission. Copyright © 2015 John Wiley \\& Sons, Ltd.},\n\tnumber = {5},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Curtis, Matthew and Keelor, Joel D. and Jones, Christina M. and Pittman, Jennifer J. and Jones, Patrick R. and Sparkman, O. David and Fernández, Facundo M.},\n\tyear = {2015},\n\tnote = {00000},\n\tpages = {431--439},\n}\n\n\n\n
\n
\n\n\n
\n Rationale The success of ambient analysis using plasma-based ion sources depends heavily on fluid dynamics and mass transport efficiency in the sample region. To help characterize the influence of these determining factors, visualization of the gas flow profile for a Direct Analysis in Real Time (DART) ion source at the mass spectrometer atmospheric pressure (AP) interface was performed using the Schlieren technique. Methods The DART helium flow pattern was imaged in model systems incorporating different interface designs, i.e. skimmer or capillary inlet, and for sampling strategies using several types of traditional DART sample probes including a glass capillary, swab, and drug tablet. Notably, Schlieren experiments were conducted on instruments equipped with the gas-ion separator tube (GIST) adapter and Vapur® pump, and on setups featuring the transmission mode (TM) DART module used in standard practice. Results DART sources were seen to expel a collimated, highly laminar helium stream across interface distances up to ~8 cm. The helium stream was robust to the influence of gas temperature (50–500 °C) and flow rate (≤3.5 L min–1), but considerable DART gas deflection or full disruption was observed in each sampling scenario. The severity of the flow disturbance depended on probe size and placement, the GIST/Vapur® settings, or counter-current gas movements present at the interface. Conclusions The real-time Schlieren visualizations introduced in this work provide new insight on the fluid dynamics within the DART-MS sample gap while also helping to identify those experimental parameters requiring optimization for improved transmission. Copyright © 2015 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Analysis of Silicones Released from Household Items and Baby Articles by Direct Analysis in Real Time-Mass Spectrometry.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 26(3): 511–521. March 2015.\n 00000\n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{gross_analysis_2015,\n\ttitle = {Analysis of {Silicones} {Released} from {Household} {Items} and {Baby} {Articles} by {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry}},\n\tvolume = {26},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-014-1042-5},\n\tdoi = {10.1007/s13361-014-1042-5},\n\tabstract = {Direct analysis in real time-mass spectrometry (DART-MS) enables screening of articles of daily use made of polydimethylsiloxanes (PDMS), commonly known as silicone rubber, to assess their tendency to release low molecular weight silicone oligomers. DART-MS analyses were performed on a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. Flexible silicone baking molds, a watch band, and a dough scraper, as baby articles different brands of pacifiers, nipples, and a teething ring have been examined. While somewhat arbitrarily chosen, the set can be regarded as representative of household items, baby articles, and other objects made of silicone rubber. For comparison, two brands of silicone septa and as blanks a glass slide and a latex pacifier were included. Differences between the objects were mainly observed in terms of molecular weight distribution and occasional release of other compounds in addition to PDMS. Other than that, all objects made of silicone rubber released significant amounts of PDMS during DART analysis. To provide a coarse quantification, a calibration based on silicone oil was established, which delivered PDMS losses from 20 μg to {\\textgreater}100 μg during the 16-s period per measurement. Also, the extraction of baking molds in rapeseed oil demonstrated a PDMS release at the level of 1 μg mg–1. These findings indicate a potential health hazard from frequent or long-term use of such items. This work does not intend to blame certain brands of such articles. Nonetheless, a higher level of awareness of this source of daily silicone intake is suggested.},\n\tlanguage = {English},\n\tnumber = {3},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = mar,\n\tyear = {2015},\n\tnote = {00000},\n\tkeywords = {Baby articles, Direct analysis in real time (DART), Fourier transform ion cyclotron resonance, Health risk, Household items, Polydimethylsiloxanes (PDMS), Quantification, Release of silicones, Silicone rubber},\n\tpages = {511--521},\n}\n\n\n\n
\n
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\n Direct analysis in real time-mass spectrometry (DART-MS) enables screening of articles of daily use made of polydimethylsiloxanes (PDMS), commonly known as silicone rubber, to assess their tendency to release low molecular weight silicone oligomers. DART-MS analyses were performed on a Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. Flexible silicone baking molds, a watch band, and a dough scraper, as baby articles different brands of pacifiers, nipples, and a teething ring have been examined. While somewhat arbitrarily chosen, the set can be regarded as representative of household items, baby articles, and other objects made of silicone rubber. For comparison, two brands of silicone septa and as blanks a glass slide and a latex pacifier were included. Differences between the objects were mainly observed in terms of molecular weight distribution and occasional release of other compounds in addition to PDMS. Other than that, all objects made of silicone rubber released significant amounts of PDMS during DART analysis. To provide a coarse quantification, a calibration based on silicone oil was established, which delivered PDMS losses from 20 μg to \\textgreater100 μg during the 16-s period per measurement. Also, the extraction of baking molds in rapeseed oil demonstrated a PDMS release at the level of 1 μg mg–1. These findings indicate a potential health hazard from frequent or long-term use of such items. This work does not intend to blame certain brands of such articles. Nonetheless, a higher level of awareness of this source of daily silicone intake is suggested.\n
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\n \n\n \n \n \n \n \n \n Quantitative surface scanning by Direct Analysis in Real Time mass spectrometry.\n \n \n \n \n\n\n \n Häbe, T. T.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 29(6): 474–484. 2015.\n 00000\n\n\n\n
\n\n\n\n \n \n \"QuantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{habe_quantitative_2015,\n\ttitle = {Quantitative surface scanning by {Direct} {Analysis} in {Real} {Time} mass spectrometry},\n\tvolume = {29},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.7127},\n\tdoi = {10.1002/rcm.7127},\n\tabstract = {RATIONALE\n\nOnly a few ambient ionization sources have been demonstrated to work quantitatively for surface scanning. A modification of the Direct Analysis in Real Time mass spectrometry (DART-MS) interface is needed to improve the precision during the scanning of a high-performance thin-layer chromatography (HPTLC) plate or any other surface or planar substrate, especially for quantitation without an internal standard correction.\n\nMETHODS\n\nThe substrate movement relative to the ion source outlet and the mass spectrometer inlet was optimized to improve the desorption, ionization, and capture of analytes. The substrate carrier was mounted at an angled position, thus reducing collisions between the deflected gas stream and the inner transfer tube wall. A special transfer tube, whose edge was angled towards the substrate and allowed a narrow set-up of the ambient air gap, captured the deflected DART gas stream.\n\nRESULTS\n\nFor the repeated DART-MS scanning along five identical deposited bands of butyl-4-hydroxybenzoate a mean precision of 2.7\\% was obtained. A signal decay of 62\\% was observed after five scans. After HPTLC of methyl-4-hydroxybenzoate and butyl-4-hydroxybenzoate, mean determination coefficients of 0.9937 and 0.9906 were obtained for five calibrations on five plates, respectively. The mean recovery of two control standards was 94\\% with a mean repeatability of 9\\% (\\%RSD, n = 5) obtained on five different plates.\n\nCONCLUSIONS\n\nThe DART SVPA-3DS system remained compact and the access to the substrate was kept wide open despite the optimized scan lane (spatial resolution at full width at half maximum 0.8 mm, height 3 mm). The performance data showed that the quantitative surface scanning was improved as well as the desorption efficacy and detectability using this modified DART-MS interface. Copyright © 2015 John Wiley \\& Sons, Ltd.},\n\tnumber = {6},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Häbe, Tim T. and Morlock, Gertrud E.},\n\tyear = {2015},\n\tnote = {00000},\n\tpages = {474--484},\n}\n\n\n\n
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\n RATIONALE Only a few ambient ionization sources have been demonstrated to work quantitatively for surface scanning. A modification of the Direct Analysis in Real Time mass spectrometry (DART-MS) interface is needed to improve the precision during the scanning of a high-performance thin-layer chromatography (HPTLC) plate or any other surface or planar substrate, especially for quantitation without an internal standard correction. METHODS The substrate movement relative to the ion source outlet and the mass spectrometer inlet was optimized to improve the desorption, ionization, and capture of analytes. The substrate carrier was mounted at an angled position, thus reducing collisions between the deflected gas stream and the inner transfer tube wall. A special transfer tube, whose edge was angled towards the substrate and allowed a narrow set-up of the ambient air gap, captured the deflected DART gas stream. RESULTS For the repeated DART-MS scanning along five identical deposited bands of butyl-4-hydroxybenzoate a mean precision of 2.7% was obtained. A signal decay of 62% was observed after five scans. After HPTLC of methyl-4-hydroxybenzoate and butyl-4-hydroxybenzoate, mean determination coefficients of 0.9937 and 0.9906 were obtained for five calibrations on five plates, respectively. The mean recovery of two control standards was 94% with a mean repeatability of 9% (%RSD, n = 5) obtained on five different plates. CONCLUSIONS The DART SVPA-3DS system remained compact and the access to the substrate was kept wide open despite the optimized scan lane (spatial resolution at full width at half maximum 0.8 mm, height 3 mm). The performance data showed that the quantitative surface scanning was improved as well as the desorption efficacy and detectability using this modified DART-MS interface. Copyright © 2015 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Aerogel dust collection for in situ mass spectrometry analysis.\n \n \n \n \n\n\n \n Jones, S.; Anderson, M.; Davies, A.; Kirby, J.; Burchell, M.; and Cole, M.\n\n\n \n\n\n\n Icarus, 247(0): 71–76. February 2015.\n 00000\n\n\n\n
\n\n\n\n \n \n \"AerogelPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{jones_aerogel_2015,\n\ttitle = {Aerogel dust collection for in situ mass spectrometry analysis},\n\tvolume = {247},\n\tissn = {0019-1035},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0019103514005223},\n\tdoi = {10.1016/j.icarus.2014.09.047},\n\tabstract = {Abstract\nThe current technique for conducting in situ mass spectroscopic analysis of dust around extraterrestrial bodies is to have the dust impact a solid plate and analyze the atoms and molecular fragments resulting from the high speed impact. Due to the fact that the kinetic energy from the impact is converted primarily to thermal energy, much of the organic compounds present in the dust may be significantly altered or destroyed. To avoid this problem, aerogel could be used to capture the dust grains, largely intact, maintaining the integrity of the organic compounds in the interior of the dust grains. To demonstrate that organic molecules, present as minor components of silica particles, would survive hypervelocity capture in aerogel and can then be analyzed with mass spectrometry, several light gas gun impact tests and analyses were conducted. Fine particles containing polycyclic aromatic hydrocarbons (PAHs) were captured in aerogel at 5.5 km s−1. The flow of metastable helium from a Direct Analysis Real Time (DART) source was used to desorb and ionize the organics, which were then analyzed with a mass spectrometer. The PAHs were detected and identified by the DART-MS, demonstrating that this method could be used on future flight instruments.},\n\tnumber = {0},\n\tjournal = {Icarus},\n\tauthor = {Jones, S.M. and Anderson, M.S. and Davies, A.G. and Kirby, J.P. and Burchell, M.J. and Cole, M.J.},\n\tmonth = feb,\n\tyear = {2015},\n\tnote = {00000},\n\tkeywords = {Experimental techniques, Impact processes, Interplanetary dust},\n\tpages = {71--76},\n}\n\n\n\n
\n
\n\n\n
\n Abstract The current technique for conducting in situ mass spectroscopic analysis of dust around extraterrestrial bodies is to have the dust impact a solid plate and analyze the atoms and molecular fragments resulting from the high speed impact. Due to the fact that the kinetic energy from the impact is converted primarily to thermal energy, much of the organic compounds present in the dust may be significantly altered or destroyed. To avoid this problem, aerogel could be used to capture the dust grains, largely intact, maintaining the integrity of the organic compounds in the interior of the dust grains. To demonstrate that organic molecules, present as minor components of silica particles, would survive hypervelocity capture in aerogel and can then be analyzed with mass spectrometry, several light gas gun impact tests and analyses were conducted. Fine particles containing polycyclic aromatic hydrocarbons (PAHs) were captured in aerogel at 5.5 km s−1. The flow of metastable helium from a Direct Analysis Real Time (DART) source was used to desorb and ionize the organics, which were then analyzed with a mass spectrometer. The PAHs were detected and identified by the DART-MS, demonstrating that this method could be used on future flight instruments.\n
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\n \n\n \n \n \n \n \n \n Detection of nicotine as an indicator of tobacco smoke by direct analysis in real time (DART) tandem mass spectrometry.\n \n \n \n \n\n\n \n Kuki, Á.; Nagy, L.; Nagy, T.; Zsuga, M.; and Kéki, S.\n\n\n \n\n\n\n Atmospheric Environment, 100(0): 74–77. January 2015.\n 00000\n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kuki_detection_2015,\n\ttitle = {Detection of nicotine as an indicator of tobacco smoke by direct analysis in real time ({DART}) tandem mass spectrometry},\n\tvolume = {100},\n\tissn = {1352-2310},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1352231014008437},\n\tdoi = {10.1016/j.atmosenv.2014.10.046},\n\tabstract = {Abstract\nThe residual tobacco smoke contamination (thirdhand smoke, THS) on the clothes of a smoker was examined by direct analysis in real time (DART) mass spectrometry. DART-MS enabled sensitive and selective analysis of nicotine as the indicator of tobacco smoke pollution. Tandem mass spectrometric (MS/MS) experiments were also performed to confirm the identification of nicotine. Transferred thirdhand smoke originated from the fingers of a smoker onto other objects was also detected by DART mass spectrometry. DART-MS/MS was utilized for monitoring the secondhand tobacco smoke (SHS) in the air of the laboratory using nicotine as an indicator. To the best of our knowledge, this is the first report on the application of DART-MS and DART-MS/MS to the detection of thirdhand smoke and to the monitoring of secondhand smoke.},\n\tnumber = {0},\n\tjournal = {Atmospheric Environment},\n\tauthor = {Kuki, Ákos and Nagy, Lajos and Nagy, Tibor and Zsuga, Miklós and Kéki, Sándor},\n\tmonth = jan,\n\tyear = {2015},\n\tnote = {00000},\n\tkeywords = {Nicotine, Real time tandem mass spectrometry, Secondhand smoke, Thirdhand smoke, Tobacco smoke},\n\tpages = {74--77},\n}\n\n\n\n
\n
\n\n\n
\n Abstract The residual tobacco smoke contamination (thirdhand smoke, THS) on the clothes of a smoker was examined by direct analysis in real time (DART) mass spectrometry. DART-MS enabled sensitive and selective analysis of nicotine as the indicator of tobacco smoke pollution. Tandem mass spectrometric (MS/MS) experiments were also performed to confirm the identification of nicotine. Transferred thirdhand smoke originated from the fingers of a smoker onto other objects was also detected by DART mass spectrometry. DART-MS/MS was utilized for monitoring the secondhand tobacco smoke (SHS) in the air of the laboratory using nicotine as an indicator. To the best of our knowledge, this is the first report on the application of DART-MS and DART-MS/MS to the detection of thirdhand smoke and to the monitoring of secondhand smoke.\n
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\n \n\n \n \n \n \n \n \n Analysis of the cyanolichen Lichina pygmaea metabolites using in situ DART-MS: from detection to thermochemistry of mycosporine serinol.\n \n \n \n \n\n\n \n Le Pogam, P.; Legouin, B.; Le Lamer, A.; Boustie, J.; and Rondeau, D.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 50(3): 454–462. 2015.\n 00000\n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{le_pogam_analysis_2015,\n\ttitle = {Analysis of the cyanolichen {Lichina} pygmaea metabolites using in situ {DART}-{MS}: from detection to thermochemistry of mycosporine serinol},\n\tvolume = {50},\n\tissn = {1096-9888},\n\turl = {http://dx.doi.org/10.1002/jms.3549},\n\tdoi = {10.1002/jms.3549},\n\tabstract = {Direct Analysis in Real Time DART-HRMS is here first applied to the detection of molecules from a lichen, Lichina pygmaea. The aim was to propose an innovative method of in situ detection of lichen secondary metabolites using the possibilities of elemental composition determination available when a DART source is interfaced with a TOF analyzer. Three kinds of samples have been submitted to DART ionization, i.e. an intact thallus, a powder obtained from the crushed lichen and an aqueous extract. In situ analysis of crushed lichen, yields an extensive chemical profile, comparable to what is obtained from the aqueous extract, comprising both major polar metabolites described in literature along with some other signals that could correspond to potentially unknown metabolites. One of the detected secondary metabolites, mycosporine serinol, underwent a dehydration reaction prior to its transfer in the gas-phase by DART ionization. The consideration of the thermal transfers involved in the DART ionization process and the possibility to record time-dependent mass spectra through the use of the TOF analyzer allowed establishing Arrhenius plots of this water molecule loss to obtain associated thermodynamic quantities. The low values of corresponding activation enthalpy (Δr‡Hm° of the order of 25 kJ mol−1) enabled formulating some assumption regarding a possible role of such metabolites in the lichen. Copyright © 2015 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Le Pogam, Pierre and Legouin, Béatrice and Le Lamer, Anne-Cécile and Boustie, Joël and Rondeau, David},\n\tyear = {2015},\n\tnote = {00000},\n\tkeywords = {Arrhenius plots, DART-MS, in situ analysis, lichen metabolites, thermochemistry},\n\tpages = {454--462},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time DART-HRMS is here first applied to the detection of molecules from a lichen, Lichina pygmaea. The aim was to propose an innovative method of in situ detection of lichen secondary metabolites using the possibilities of elemental composition determination available when a DART source is interfaced with a TOF analyzer. Three kinds of samples have been submitted to DART ionization, i.e. an intact thallus, a powder obtained from the crushed lichen and an aqueous extract. In situ analysis of crushed lichen, yields an extensive chemical profile, comparable to what is obtained from the aqueous extract, comprising both major polar metabolites described in literature along with some other signals that could correspond to potentially unknown metabolites. One of the detected secondary metabolites, mycosporine serinol, underwent a dehydration reaction prior to its transfer in the gas-phase by DART ionization. The consideration of the thermal transfers involved in the DART ionization process and the possibility to record time-dependent mass spectra through the use of the TOF analyzer allowed establishing Arrhenius plots of this water molecule loss to obtain associated thermodynamic quantities. The low values of corresponding activation enthalpy (Δr‡Hm° of the order of 25 kJ mol−1) enabled formulating some assumption regarding a possible role of such metabolites in the lichen. Copyright © 2015 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Spatial localisation of curcumin and rapid screening of the chemical compositions of turmeric rhizomes (Curcuma longa Linn.) using Direct Analysis in Real Time-Mass Spectrometry (DART-MS).\n \n \n \n \n\n\n \n Rahman, A. M.; Angawi, R. F.; and Kadi, A. A.\n\n\n \n\n\n\n Food Chemistry, 173(0): 489–494. April 2015.\n 00000\n\n\n\n
\n\n\n\n \n \n \"SpatialPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rahman_spatial_2015,\n\ttitle = {Spatial localisation of curcumin and rapid screening of the chemical compositions of turmeric rhizomes ({Curcuma} longa {Linn}.) using {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry} ({DART}-{MS})},\n\tvolume = {173},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814614016112},\n\tdoi = {10.1016/j.foodchem.2014.10.049},\n\tabstract = {Abstract\nCurcumin is a potent antioxidant agent having versatile biological activities is present in turmeric rhizomes (Curcuma longa Linn.). Powder of turmeric rhizomes is consumes as curry spicy worldwide, especially in Asia. In this study, we demonstrate that, bioactive curcumin and its analog demethoxycurcumin are chiefly concentrated in the pith rather than the other parts of the turmeric rhizomes and it was discovered using modern atmospheric ionisation source ‘Direct Analysis in Real Time’ (DART) connected with an Ion Trap Mass Spectrometry. In addition, all the major components present in turmeric rhizomes were detected in positive and/or in negative ion mode using DART.},\n\tnumber = {0},\n\tjournal = {Food Chemistry},\n\tauthor = {Rahman, A.F.M. Motiur and Angawi, Rihab F. and Kadi, Adnan A.},\n\tmonth = apr,\n\tyear = {2015},\n\tnote = {00000},\n\tkeywords = {Curcuma longa Linn, Curcuma longa Linn., DART, curcumin, turmeric},\n\tpages = {489--494},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Curcumin is a potent antioxidant agent having versatile biological activities is present in turmeric rhizomes (Curcuma longa Linn.). Powder of turmeric rhizomes is consumes as curry spicy worldwide, especially in Asia. In this study, we demonstrate that, bioactive curcumin and its analog demethoxycurcumin are chiefly concentrated in the pith rather than the other parts of the turmeric rhizomes and it was discovered using modern atmospheric ionisation source ‘Direct Analysis in Real Time’ (DART) connected with an Ion Trap Mass Spectrometry. In addition, all the major components present in turmeric rhizomes were detected in positive and/or in negative ion mode using DART.\n
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\n \n\n \n \n \n \n \n \n Prediction of acrylamide formation in biscuits based on fingerprint data generated by ambient ionization mass spectrometry employing direct analysis in real time (DART) ion source.\n \n \n \n \n\n\n \n Vaclavik, L.; Capuano, E.; Gökmen, V.; and Hajslova, J.\n\n\n \n\n\n\n Food Chemistry, 173(0): 290–297. April 2015.\n 00000\n\n\n\n
\n\n\n\n \n \n \"PredictionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{vaclavik_prediction_2015,\n\ttitle = {Prediction of acrylamide formation in biscuits based on fingerprint data generated by ambient ionization mass spectrometry employing direct analysis in real time ({DART}) ion source},\n\tvolume = {173},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814614015398},\n\tdoi = {10.1016/j.foodchem.2014.09.151},\n\tabstract = {Abstract\nThe objective of this study is the evaluation of the potential of high-throughput direct analysis in real time–high resolution mass spectrometry (DART–HRMS) fingerprinting and multivariate regression analysis in prediction of the extent of acrylamide formation in biscuit samples prepared by various recipes and baking conditions. Information-rich mass spectral fingerprints were obtained by analysis of biscuit extracts for preparation of which aqueous methanol was used. The principal component analysis (PCA) of the acquired data revealed an apparent clustering of samples according to the extent of heat-treatment applied during the baking of the biscuits. The regression model for prediction of acrylamide in biscuits was obtained by partial least square regression (PLSR) analysis of the data matrix representing combined positive and negative ionization mode fingerprints. The model provided a least root mean square error of cross validation (RMSECV) equal to an acrylamide concentration of 5.4 μg kg−1 and standard error of prediction (SEP) of 14.8 μg kg−1. The results obtained indicate that this strategy can be used to accurately predict the amounts of acrylamide formed during baking of biscuits. Such rapid estimation of acrylamide concentration can become a useful tool in evaluation of the effectivity of processes aiming at mitigation of this food processing contaminant. However, the robustness this approach with respect to variability in the chemical composition of ingredients used for preparation of biscuits should be tested further.},\n\tnumber = {0},\n\tjournal = {Food Chemistry},\n\tauthor = {Vaclavik, Lukas and Capuano, Edoardo and Gökmen, Vural and Hajslova, Jana},\n\tmonth = apr,\n\tyear = {2015},\n\tnote = {00000},\n\tkeywords = {Acrylamide, Biscuits, Direct analysis in real time, Multivariate regression analysis, mass spectrometry},\n\tpages = {290--297},\n}\n\n\n\n
\n
\n\n\n
\n Abstract The objective of this study is the evaluation of the potential of high-throughput direct analysis in real time–high resolution mass spectrometry (DART–HRMS) fingerprinting and multivariate regression analysis in prediction of the extent of acrylamide formation in biscuit samples prepared by various recipes and baking conditions. Information-rich mass spectral fingerprints were obtained by analysis of biscuit extracts for preparation of which aqueous methanol was used. The principal component analysis (PCA) of the acquired data revealed an apparent clustering of samples according to the extent of heat-treatment applied during the baking of the biscuits. The regression model for prediction of acrylamide in biscuits was obtained by partial least square regression (PLSR) analysis of the data matrix representing combined positive and negative ionization mode fingerprints. The model provided a least root mean square error of cross validation (RMSECV) equal to an acrylamide concentration of 5.4 μg kg−1 and standard error of prediction (SEP) of 14.8 μg kg−1. The results obtained indicate that this strategy can be used to accurately predict the amounts of acrylamide formed during baking of biscuits. Such rapid estimation of acrylamide concentration can become a useful tool in evaluation of the effectivity of processes aiming at mitigation of this food processing contaminant. However, the robustness this approach with respect to variability in the chemical composition of ingredients used for preparation of biscuits should be tested further.\n
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\n \n\n \n \n \n \n \n \n A novel approach to determine the tyrosine concentration in human plasma by DART-MS/MS.\n \n \n \n \n\n\n \n SONG, Y.; LIAO, J.; Zha, C.; Wang, B.; and Liu, C. C.\n\n\n \n\n\n\n Analytical Methods. 2015.\n 00000\n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{song_novel_2015,\n\ttitle = {A novel approach to determine the tyrosine concentration in human plasma by {DART}-{MS}/{MS}},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C4AY02566K},\n\tdoi = {10.1039/C4AY02566K},\n\tabstract = {A novel method for determining the tyrosine (Tyr) concentration in human plasma using direct analysis in real time mass spectrometry (DART-MS/MS) was developed. DART-MS/MS was performed in the positive ionization mode with multiple reaction monitoring (MRM) while using the ion transitions at m/z of 182.2/136.2 (Tyr). The experimental conditions and the sample preparation method were optimized to maximize the signal intensity. The linear range was determined to be 2{\\textasciitilde}50[small mu ]g mL-1 from the calibration curve. The limit of quantification (LOQ) was 2[small mu ]g mL-1. The intra- and inter-day precisions did not exceed 15\\%, and the accuracies were less than +/-15\\% for the 4, 18 and 38[small mu ]g mL-1 quality control (QC) samples. In addition, the extents of the matrix effects for the QC samples were also evaluated. Using the proposed method, samples could be analyzed simultaneously. The proposed DART-MS/MS-based method is not only rapid and simple with a high throughput but is also economical, as a mobile phase is not used. Further, the method was used successfully to determine the Tyr levels in the plasmas of healthy volunteers and liver cancer patients. The proposed method should also be theoretically suitable for screening newborn babies for the hereditary tyrosinemia.},\n\tjournal = {Analytical Methods},\n\tauthor = {SONG, Yu-Qiao and LIAO, Jie and Zha, Cheng and Wang, Bin and Liu, Charles C.},\n\tyear = {2015},\n\tnote = {00000},\n}\n\n\n\n
\n
\n\n\n
\n A novel method for determining the tyrosine (Tyr) concentration in human plasma using direct analysis in real time mass spectrometry (DART-MS/MS) was developed. DART-MS/MS was performed in the positive ionization mode with multiple reaction monitoring (MRM) while using the ion transitions at m/z of 182.2/136.2 (Tyr). The experimental conditions and the sample preparation method were optimized to maximize the signal intensity. The linear range was determined to be 2~50[small mu ]g mL-1 from the calibration curve. The limit of quantification (LOQ) was 2[small mu ]g mL-1. The intra- and inter-day precisions did not exceed 15%, and the accuracies were less than +/-15% for the 4, 18 and 38[small mu ]g mL-1 quality control (QC) samples. In addition, the extents of the matrix effects for the QC samples were also evaluated. Using the proposed method, samples could be analyzed simultaneously. The proposed DART-MS/MS-based method is not only rapid and simple with a high throughput but is also economical, as a mobile phase is not used. Further, the method was used successfully to determine the Tyr levels in the plasmas of healthy volunteers and liver cancer patients. The proposed method should also be theoretically suitable for screening newborn babies for the hereditary tyrosinemia.\n
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\n \n\n \n \n \n \n \n \n In Situ Analysis for Herbal Pieces of Aconitum Plants by Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Zhou, F.; Zhu, H.; Liu, S.; Ma, K.; Song, F.; and Liu, Z.\n\n\n \n\n\n\n Chinese Journal of Chemistry,n/a–n/a. 2015.\n 00000\n\n\n\n
\n\n\n\n \n \n \"InPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zhou_situ_2015,\n\ttitle = {In {Situ} {Analysis} for {Herbal} {Pieces} of {Aconitum} {Plants} by {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tissn = {1614-7065},\n\turl = {http://dx.doi.org/10.1002/cjoc.201400692},\n\tdoi = {10.1002/cjoc.201400692},\n\tabstract = {In this study, an extend application was developed to in situ analyze the herbal pieces of Aconitum plants by Direct Analysis in Real Time Mass Spectrometry (DART-MS). Nearly all aconitine-type alkaloids can be desorbed and ionized in this method, including diester diterpenoid aconitines (DDAs), monoester diterpenoid aconitines (MDAs) and some other diterpenoid aconitines. The spectra of in situ analysis for the herbal pieces of aconitum plants are similar with that of their extracts. Radix Aconiti and Radix Aconiti Kusnezoffii can be distinguished from each other by the intensity differences of character fragment ions from MDAs, such as m/z 586, 572, and 556. The qualified and unqualified herbal pieces can be also identified by the relative abundances of DDAs. The RSD of the relative abundances of some character ions at m/z 556, 586, and 590 were 13.53\\%, 4.03\\%, and 12.03\\%, respectively. So this in situ analytical method can identify both the types of Aconitum preparata and their quality. It provides the following advantages in the analysis of Chinese herbs: fast detection without much pretreatment, high-throughput analysis, and reduction of pollution without any organic solvent.},\n\tjournal = {Chinese Journal of Chemistry},\n\tauthor = {Zhou, Feng and Zhu, Hongbin and Liu, Shu and Ma, Kang and Song, Fengrui and Liu, Zhiqiang},\n\tyear = {2015},\n\tnote = {00000},\n\tkeywords = {Aconitum plant, in situ analysis, quality, real time mass spectrometry (DART-MS)},\n\tpages = {n/a--n/a},\n}\n\n\n\n
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\n In this study, an extend application was developed to in situ analyze the herbal pieces of Aconitum plants by Direct Analysis in Real Time Mass Spectrometry (DART-MS). Nearly all aconitine-type alkaloids can be desorbed and ionized in this method, including diester diterpenoid aconitines (DDAs), monoester diterpenoid aconitines (MDAs) and some other diterpenoid aconitines. The spectra of in situ analysis for the herbal pieces of aconitum plants are similar with that of their extracts. Radix Aconiti and Radix Aconiti Kusnezoffii can be distinguished from each other by the intensity differences of character fragment ions from MDAs, such as m/z 586, 572, and 556. The qualified and unqualified herbal pieces can be also identified by the relative abundances of DDAs. The RSD of the relative abundances of some character ions at m/z 556, 586, and 590 were 13.53%, 4.03%, and 12.03%, respectively. So this in situ analytical method can identify both the types of Aconitum preparata and their quality. It provides the following advantages in the analysis of Chinese herbs: fast detection without much pretreatment, high-throughput analysis, and reduction of pollution without any organic solvent.\n
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\n  \n 2014\n \n \n (239)\n \n \n
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\n \n\n \n \n \n \n \n \n Rapid identification of traditional Chinese herbal medicine by direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Wang, Y.; Li, C.; Huang, L.; Liu, L.; Guo, Y.; Ma, L.; and Liu, S.\n\n\n \n\n\n\n Analytica Chimica Acta, 845: 70–76. October 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{wang_rapid_2014,\n\ttitle = {Rapid identification of traditional {Chinese} herbal medicine by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {845},\n\tissn = {00032670},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0003267014007272},\n\tdoi = {10.1016/j.aca.2014.06.014},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Wang, Yang and Li, Chunmei and Huang, Liang and Liu, Li and Guo, Yunlong and Ma, Li and Liu, Shuying},\n\tmonth = oct,\n\tyear = {2014},\n\tpages = {70--76},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Analytical strategies for controlling polysorbate-based nanomicelles in fruit juice.\n \n \n \n \n\n\n \n Krtkova, V.; Schulzova, V.; Lacina, O.; Hrbek, V.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 406(16): 3909–3918. June 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AnalyticalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{krtkova_analytical_2014,\n\ttitle = {Analytical strategies for controlling polysorbate-based nanomicelles in fruit juice},\n\tvolume = {406},\n\tissn = {1618-2642, 1618-2650},\n\turl = {http://link.springer.com/10.1007/s00216-014-7823-7},\n\tdoi = {10.1007/s00216-014-7823-7},\n\tlanguage = {en},\n\tnumber = {16},\n\turldate = {2016-01-28},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Krtkova, Veronika and Schulzova, Vera and Lacina, Ondrej and Hrbek, Vojtech and Tomaniova, Monika and Hajslova, Jana},\n\tmonth = jun,\n\tyear = {2014},\n\tpages = {3909--3918},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Desorption atmospheric pressure photoionization and direct analysis in real time coupled with travelling wave ion mobility mass spectrometry: DAPPI/DART-TWIM-MS.\n \n \n \n \n\n\n \n Räsänen, R.; Dwivedi, P.; Fernández, F. M.; and Kauppila, T. J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 28(21): 2325–2336. November 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DesorptionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{rasanen_desorption_2014,\n\ttitle = {Desorption atmospheric pressure photoionization and direct analysis in real time coupled with travelling wave ion mobility mass spectrometry: {DAPPI}/{DART}-{TWIM}-{MS}},\n\tvolume = {28},\n\tissn = {09514198},\n\tshorttitle = {Desorption atmospheric pressure photoionization and direct analysis in real time coupled with travelling wave ion mobility mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7028},\n\tdoi = {10.1002/rcm.7028},\n\tabstract = {RATIONALE Ambient mass spectrometry (MS) is a tool for screening analytes directly from sample surfaces. However, background impurities may complicate the spectra and therefore fast separation techniques are needed. Here, we demonstrate the use of travelling wave ion mobility spectrometry in a comparative study of two ambient MS techniques. METHODS Desorption atmospheric pressure photoionization (DAPPI) and direct analysis in real time (DART) were coupled with travelling wave ion mobility mass spectrometry (TWIM-MS) for highly selective surface analysis. The ionization efficiencies of DAPPI and DART were compared. Test compounds were: bisphenol A, benzo[a]pyrene, ranitidine, cortisol and α-tocopherol. DAPPI-MS and DART-TWIM-MS were also applied to the analysis of chloroquine from dried blood spots, and α-tocopherol from almond surface, and DAPPI-TWIM-MS was applied to analysis of pharmaceuticals and multivitamin tablets. RESULTS DAPPI was approximately 100 times more sensitive than DART for bisphenol A and 10-20 times more sensitive for the other compounds. The limits of detection were between 30-290 and 330-8200 fmol for DAPPI and DART, respectively. Also, from the authentic samples, DAPPI ionized chloroquine and α-tocopherol more efficiently than DART. The mobility separation enabled the detection of species with low signal intensities, e.g. thiamine and cholecalciferol, in the DAPPI-TWIM-MS analysis of multivitamin tablets. CONCLUSIONS DAPPI ionized the studied compounds of interest more efficiently than DART. For both DAPPI and DART, the mobility separation prior to MS analysis reduced the amount of chemical noise in the mass spectrum and significantly increased the signal-to-noise ratio for the analytes.},\n\tlanguage = {en},\n\tnumber = {21},\n\turldate = {2016-01-28},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Räsänen, Riikka-Marjaana and Dwivedi, Prabha and Fernández, Facundo M. and Kauppila, Tiina J.},\n\tmonth = nov,\n\tyear = {2014},\n\tpages = {2325--2336},\n}\n\n\n\n
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\n RATIONALE Ambient mass spectrometry (MS) is a tool for screening analytes directly from sample surfaces. However, background impurities may complicate the spectra and therefore fast separation techniques are needed. Here, we demonstrate the use of travelling wave ion mobility spectrometry in a comparative study of two ambient MS techniques. METHODS Desorption atmospheric pressure photoionization (DAPPI) and direct analysis in real time (DART) were coupled with travelling wave ion mobility mass spectrometry (TWIM-MS) for highly selective surface analysis. The ionization efficiencies of DAPPI and DART were compared. Test compounds were: bisphenol A, benzo[a]pyrene, ranitidine, cortisol and α-tocopherol. DAPPI-MS and DART-TWIM-MS were also applied to the analysis of chloroquine from dried blood spots, and α-tocopherol from almond surface, and DAPPI-TWIM-MS was applied to analysis of pharmaceuticals and multivitamin tablets. RESULTS DAPPI was approximately 100 times more sensitive than DART for bisphenol A and 10-20 times more sensitive for the other compounds. The limits of detection were between 30-290 and 330-8200 fmol for DAPPI and DART, respectively. Also, from the authentic samples, DAPPI ionized chloroquine and α-tocopherol more efficiently than DART. The mobility separation enabled the detection of species with low signal intensities, e.g. thiamine and cholecalciferol, in the DAPPI-TWIM-MS analysis of multivitamin tablets. CONCLUSIONS DAPPI ionized the studied compounds of interest more efficiently than DART. For both DAPPI and DART, the mobility separation prior to MS analysis reduced the amount of chemical noise in the mass spectrum and significantly increased the signal-to-noise ratio for the analytes.\n
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\n \n\n \n \n \n \n \n \n Rapid Quantification of Highly Polar Trimethyl Phosphate in Wastewater via Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, X.; Liu, J.; Liu, C. C.; Zhang, J.; Shao, B.; Liu, L.; and Zhang, N.\n\n\n \n\n\n\n Journal of Chromatography A, (0). 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wang_rapid_2014,\n\ttitle = {Rapid {Quantification} of {Highly} {Polar} {Trimethyl} {Phosphate} in {Wastewater} via {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S002196731400171X},\n\tdoi = {10.1016/j.chroma.2014.01.076},\n\tnumber = {0},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Wang, Xiaowei and Liu, Jingfu and Liu, Charles C. and Zhang, Jing and Shao, Bing and Liu, Liping and Zhang, Nina},\n\tyear = {2014},\n\tkeywords = {Direct analysis real-time tandem mass spectrometry, Environmental water, Organophosphours flame retardant, Trimethyl phosphate},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry for rapid screening and quantitative determination of cholesterol in egg pasta: Determination of cholesterol in egg pasta.\n \n \n \n \n\n\n \n Al-Balaa, D.; Rajchl, A.; Grégrová, A.; Ševčík, R.; and Čížková, H.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 49(9): 911–917. September 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{al-balaa_dart_2014,\n\ttitle = {{DART} mass spectrometry for rapid screening and quantitative determination of cholesterol in egg pasta: {Determination} of cholesterol in egg pasta},\n\tvolume = {49},\n\tissn = {10765174},\n\tshorttitle = {{DART} mass spectrometry for rapid screening and quantitative determination of cholesterol in egg pasta},\n\turl = {http://doi.wiley.com/10.1002/jms.3465},\n\tdoi = {10.1002/jms.3465},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Al-Balaa, Dania and Rajchl, Aleš and Grégrová, Adéla and Ševčík, Rudolf and Čížková, Helena},\n\tmonth = sep,\n\tyear = {2014},\n\tpages = {911--917},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Determination of the aflatoxin AFB1 from corn by direct analysis in real time – mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Busman, M.; Liu, J.; Zhong, H.; Bobell, J. R.; and Maragos, C. M.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A,null–null. March 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{busman_determination_2014,\n\ttitle = {Determination of the aflatoxin {AFB1} from corn by direct analysis in real time – mass spectrometry ({DART}-{MS})},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2014.900572},\n\tdoi = {10.1080/19440049.2014.900572},\n\tabstract = {Abstract Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for screening of aflatoxins from a variety of surfaces and the rapid quantitative analysis of a common form of aflatoxin, AFB1, extracted from corn. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of aflatoxin AFB1. 84:16 acetonitrile water extracts of corn were analyzed by DART-MS. The lowest calibration level (LCL) for aflatoxin AFB1 was 4 ?g/kg. Quantitative analysis was performed with the use of matrix-matched standards employing the 13C-labeled internal standard for AFB1. DART-MS of spiked corn extracts gave linear response of the range 4?1000 ?g/kg. Good recoveries (94?110\\%) and repeatabilities (RSD 0.7?6.9\\%) were obtained at spiking levels of 20 and 100 ?g/kg with use of an isotope dilution technique. Trueness of data obtained for AFB1 in maize by DART-MS was demonstrated by analysis of corn certified reference materials.},\n\turldate = {2014-03-11},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Busman, Mark and Liu, Jihong and Zhong, Hongjian and Bobell, John R. and Maragos, Chris M.},\n\tmonth = mar,\n\tyear = {2014},\n\tpages = {null--null},\n}\n\n\n\n
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\n Abstract Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for screening of aflatoxins from a variety of surfaces and the rapid quantitative analysis of a common form of aflatoxin, AFB1, extracted from corn. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of aflatoxin AFB1. 84:16 acetonitrile water extracts of corn were analyzed by DART-MS. The lowest calibration level (LCL) for aflatoxin AFB1 was 4 ?g/kg. Quantitative analysis was performed with the use of matrix-matched standards employing the 13C-labeled internal standard for AFB1. DART-MS of spiked corn extracts gave linear response of the range 4?1000 ?g/kg. Good recoveries (94?110%) and repeatabilities (RSD 0.7?6.9%) were obtained at spiking levels of 20 and 100 ?g/kg with use of an isotope dilution technique. Trueness of data obtained for AFB1 in maize by DART-MS was demonstrated by analysis of corn certified reference materials.\n
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\n \n\n \n \n \n \n \n \n Combined multivariate data analysis of high-performance thin-layer chromatography fingerprints and direct analysis in real time mass spectra for profiling of natural products like propolis.\n \n \n \n \n\n\n \n Morlock, G. E.; Ristivojevic, P.; and Chernetsova, E. S.\n\n\n \n\n\n\n Journal of Chromatography A, 1328: 104–112. February 2014.\n \n\n\n\n
\n\n\n\n \n \n \"CombinedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{morlock_combined_2014,\n\ttitle = {Combined multivariate data analysis of high-performance thin-layer chromatography fingerprints and direct analysis in real time mass spectra for profiling of natural products like propolis},\n\tvolume = {1328},\n\tissn = {00219673},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0021967313019341},\n\tdoi = {10.1016/j.chroma.2013.12.053},\n\tabstract = {Sophisticated statistical tools are required to extract the full analytical power from high-performance thin-layer chromatography (HPTLC). Especially, the combination of HPTLC fingerprints (image) with chemometrics is rarely used so far. Also, the newly developed, instantaneous direct analysis in real time mass spectrometry (DART-MS) method is perspective for sample characterization and differentiation by multivariate data analysis. This is a first novel study on the differentiation of natural products using a combination of fast fingerprint techniques, like HPTLC and DART-MS, for multivariate data analysis. The results obtained by the chemometric evaluation of HPTLC and DART-MS data provided complementary information. The complexity, expense, and analysis time were significantly reduced due to the use of statistical tools for evaluation of fingerprints. The approach allowed categorizing 91 propolis samples from Germany and other locations based on their phenolic compound profile. A high level of confidence was obtained when combining orthogonal approaches (HPTLC and DART-MS) for ultrafast sample characterization. HPTLC with selective post-chromatographic derivatization provided information on polarity, functional groups and spectral properties of marker compounds, while information on possible elemental formulae of principal components (phenolic markers) was obtained by DART-MS.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Morlock, Gertrud E. and Ristivojevic, Petar and Chernetsova, Elena S.},\n\tmonth = feb,\n\tyear = {2014},\n\tkeywords = {DART-MS, Fingerprint, High-performance thin-layer chromatography, Pattern recognition, Planar chromatography, Propolis},\n\tpages = {104--112},\n}\n\n\n\n
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\n Sophisticated statistical tools are required to extract the full analytical power from high-performance thin-layer chromatography (HPTLC). Especially, the combination of HPTLC fingerprints (image) with chemometrics is rarely used so far. Also, the newly developed, instantaneous direct analysis in real time mass spectrometry (DART-MS) method is perspective for sample characterization and differentiation by multivariate data analysis. This is a first novel study on the differentiation of natural products using a combination of fast fingerprint techniques, like HPTLC and DART-MS, for multivariate data analysis. The results obtained by the chemometric evaluation of HPTLC and DART-MS data provided complementary information. The complexity, expense, and analysis time were significantly reduced due to the use of statistical tools for evaluation of fingerprints. The approach allowed categorizing 91 propolis samples from Germany and other locations based on their phenolic compound profile. A high level of confidence was obtained when combining orthogonal approaches (HPTLC and DART-MS) for ultrafast sample characterization. HPTLC with selective post-chromatographic derivatization provided information on polarity, functional groups and spectral properties of marker compounds, while information on possible elemental formulae of principal components (phenolic markers) was obtained by DART-MS.\n
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\n \n\n \n \n \n \n \n Letter: Characterization of volatile and semi-volatile compounds in green and fermented leaves of Bergenia crassifolia L. by GC-MS and ID-CUBE DART-HRMS.\n \n \n \n\n\n \n Chernetsova, E.; Shikov, A.; Crawford, E.; Grashorn, S.; Laakso, I.; Pozharitskaya, O.; Makarov, V.; Hiltunen, R.; Galambosi, B.; and Morlock, G.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 20: 0–0. 2014.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{chernetsova_letter:_2014,\n\ttitle = {Letter: {Characterization} of volatile and semi-volatile compounds in green and fermented leaves of {Bergenia} crassifolia {L}. by {GC}-{MS} and {ID}-{CUBE} {DART}-{HRMS}},\n\tvolume = {20},\n\tissn = {1469-0667},\n\tdoi = {http://dx.doi.org/10.1255/ejms.1252},\n\tabstract = {Chemical compositions of volatile and semi-volatile components in green and fermented leaves of Bergenia crassifolia L. were studied. Leaf components were identified using gas chromatography with low resolution mass spectrometry and direct analysis in real time (DART) high resolution mass spectrometry with an ID-CUBE ion source. Phytol, nerolidol, geraniol, linalool, α-bisabolol, α-bisabololoxide B, α-cadinol, δ-cadinene, α-terpineol, and several other marker compounds of special interest were defined, for which the process of fermentation significantly changed their content in the leaves. Low resolution EI GC-MS and ID-CUBE DART-HRMS were found to be complementary methods, as they provide different information, helpful to increase the confidence of identification.},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Chernetsova, E. and Shikov, A. and Crawford, E. and Grashorn, S. and Laakso, I. and Pozharitskaya, O. and Makarov, V. and Hiltunen, R. and Galambosi, B. and Morlock, G.},\n\tyear = {2014},\n\tpages = {0--0},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Chemical compositions of volatile and semi-volatile components in green and fermented leaves of Bergenia crassifolia L. were studied. Leaf components were identified using gas chromatography with low resolution mass spectrometry and direct analysis in real time (DART) high resolution mass spectrometry with an ID-CUBE ion source. Phytol, nerolidol, geraniol, linalool, α-bisabolol, α-bisabololoxide B, α-cadinol, δ-cadinene, α-terpineol, and several other marker compounds of special interest were defined, for which the process of fermentation significantly changed their content in the leaves. Low resolution EI GC-MS and ID-CUBE DART-HRMS were found to be complementary methods, as they provide different information, helpful to increase the confidence of identification.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry, a process analytical technology tool for real-time process monitoring in botanical drug manufacturing.\n \n \n \n \n\n\n \n Wang, L.; Zeng, S.; Chen, T.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, (0). 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wang_direct_2014,\n\ttitle = {Direct analysis in real time mass spectrometry, a process analytical technology tool for real-time process monitoring in botanical drug manufacturing},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708513006195},\n\tdoi = {10.1016/j.jpba.2013.12.034},\n\tabstract = {Abstract\nA promising process analytical technology (PAT) tool has been introduced for batch processes monitoring. Direct analysis in real time mass spectrometry (DART-MS), a means of rapid fingerprint analysis, was applied to a percolation process with multi-constituent substances for an anti-cancer botanical preparation. Fifteen batches were carried out, including ten normal operations and five abnormal batches with artificial variations. The obtained multivariate data were analyzed by a multi-way partial least squares (MPLS) model. Control trajectories were derived from eight normal batches, and the qualification was tested by R2 and Q2. Accuracy and diagnosis capability of the batch model were then validated by the remaining batches. Assisted with high performance liquid chromatography (HPLC) determination, process faults were explained by corresponding variable contributions. Furthermore, a batch level model was developed to compare and assess the model performance. The present study has demonstrated that DART-MS is very promising in process monitoring in botanical manufacturing. Compared with general PAT tools, DART-MS offers a particular account on effective compositions and can be potentially used to improve batch quality and process consistency of samples in complex matrices},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Wang, Lu and Zeng, Shanshan and Chen, Teng and Qu, Haibin},\n\tyear = {2014},\n\tkeywords = {Batch processes control, Botanical drugs, Direct analysis in real time mass spectrometry, Multivariate batch analysis, Percolation process},\n}\n\n\n\n
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\n Abstract A promising process analytical technology (PAT) tool has been introduced for batch processes monitoring. Direct analysis in real time mass spectrometry (DART-MS), a means of rapid fingerprint analysis, was applied to a percolation process with multi-constituent substances for an anti-cancer botanical preparation. Fifteen batches were carried out, including ten normal operations and five abnormal batches with artificial variations. The obtained multivariate data were analyzed by a multi-way partial least squares (MPLS) model. Control trajectories were derived from eight normal batches, and the qualification was tested by R2 and Q2. Accuracy and diagnosis capability of the batch model were then validated by the remaining batches. Assisted with high performance liquid chromatography (HPLC) determination, process faults were explained by corresponding variable contributions. Furthermore, a batch level model was developed to compare and assess the model performance. The present study has demonstrated that DART-MS is very promising in process monitoring in botanical manufacturing. Compared with general PAT tools, DART-MS offers a particular account on effective compositions and can be potentially used to improve batch quality and process consistency of samples in complex matrices\n
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\n \n\n \n \n \n \n \n \n Rapid analysis of Δ-9-tetrahydrocannabinol in hair using direct analysis in real time ambient ionization orbitrap mass spectrometry.\n \n \n \n \n\n\n \n Duvivier, W. F.; van Beek, T. A.; Pennings, E. J. M.; and Nielen, M. W. F.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 28(7): 682–690. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{duvivier_rapid_2014,\n\ttitle = {Rapid analysis of Δ-9-tetrahydrocannabinol in hair using direct analysis in real time ambient ionization orbitrap mass spectrometry},\n\tvolume = {28},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6831},\n\tdoi = {10.1002/rcm.6831},\n\tabstract = {RATIONALE\n\nForensic hair analysis methods are laborious, time-consuming and provide only a rough retrospective estimate of the time of drug intake. Recently, hair imaging methods using matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) were reported, but these methods require the application of MALDI matrix and are performed under vacuum. Direct analysis of entire locks of hair without any sample pretreatment and with improved spatial resolution would thus address a need.\n\nMETHODS\n\nHair samples were attached to stainless steel mesh screens and scanned in the X-direction using direct analysis in real time (DART) ambient ionization orbitrap MS. The DART gas temperature and the accuracy of the probed hair zone were optimized using Δ-9-tetrahydrocannabinol (THC) as a model compound. Since external contamination is a major issue in forensic hair analysis, sub-samples were measured before and after dichloromethane decontamination.\n\nRESULTS\n\nThe relative intensity of the THC signal in spiked blank hair versus that of quinine as the internal standard showed good reproducibility (26\\% RSD) and linearity of the method (R2 = 0.991). With the DART hair scan THC could be detected in hair samples from different chronic cannabis users. The presence of THC was confirmed by quantitative liquid chromatography/tandem mass spectrometry. Zones with different THC content could be clearly distinguished, indicating that the method might be used for retrospective timeline assessments. Detection of THC in decontaminated drug user hair showed that the DART hair scan not only probes THC on the surface of hair, but penetrates deeply enough to measure incorporated THC.\n\nCONCLUSIONS\n\nA new approach in forensic hair analysis has been developed by probing complete locks of hair using DART-MS. Longitudinal scanning enables detection of incorporated compounds and can be used as pre-screening for THC without sample preparation. The method could also be adjusted for the analysis of other drugs of abuse. Copyright © 2014 John Wiley \\& Sons, Ltd.},\n\tnumber = {7},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Duvivier, Wilco F. and van Beek, Teris A. and Pennings, Ed J. M. and Nielen, Michel W. F.},\n\tyear = {2014},\n\tpages = {682--690},\n}\n\n\n\n
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\n RATIONALE Forensic hair analysis methods are laborious, time-consuming and provide only a rough retrospective estimate of the time of drug intake. Recently, hair imaging methods using matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) were reported, but these methods require the application of MALDI matrix and are performed under vacuum. Direct analysis of entire locks of hair without any sample pretreatment and with improved spatial resolution would thus address a need. METHODS Hair samples were attached to stainless steel mesh screens and scanned in the X-direction using direct analysis in real time (DART) ambient ionization orbitrap MS. The DART gas temperature and the accuracy of the probed hair zone were optimized using Δ-9-tetrahydrocannabinol (THC) as a model compound. Since external contamination is a major issue in forensic hair analysis, sub-samples were measured before and after dichloromethane decontamination. RESULTS The relative intensity of the THC signal in spiked blank hair versus that of quinine as the internal standard showed good reproducibility (26% RSD) and linearity of the method (R2 = 0.991). With the DART hair scan THC could be detected in hair samples from different chronic cannabis users. The presence of THC was confirmed by quantitative liquid chromatography/tandem mass spectrometry. Zones with different THC content could be clearly distinguished, indicating that the method might be used for retrospective timeline assessments. Detection of THC in decontaminated drug user hair showed that the DART hair scan not only probes THC on the surface of hair, but penetrates deeply enough to measure incorporated THC. CONCLUSIONS A new approach in forensic hair analysis has been developed by probing complete locks of hair using DART-MS. Longitudinal scanning enables detection of incorporated compounds and can be used as pre-screening for THC without sample preparation. The method could also be adjusted for the analysis of other drugs of abuse. Copyright © 2014 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Distinguishing wild from cultivated agarwood (Aquilaria spp.) using direct analysis in real time and time of-flight mass spectrometry.\n \n \n \n \n\n\n \n Espinoza, E. O.; Lancaster, C. A.; Kreitals, N. M.; Hata, M.; Cody, R. B.; and Blanchette, R. A.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 28(3): 281–289. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DistinguishingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{espinoza_distinguishing_2014,\n\ttitle = {Distinguishing wild from cultivated agarwood ({Aquilaria} spp.) using direct analysis in real time and time of-flight mass spectrometry},\n\tvolume = {28},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6779},\n\tdoi = {10.1002/rcm.6779},\n\tabstract = {RATIONALE\n\nIt is important for the enforcement of the CITES treaty to determine whether agarwood (a resinous wood produced in Aquilaria and Gyrinops species) seen in trade is from a plantation that was cultivated for sustainable production or was harvested from natural forests which is usually done illegally.\n\nMETHODS\n\nWe analyzed wood directly using Direct Analysis in Real Time (DART™) ionization coupled with Time-of-Flight Mass Spectrometry (TOFMS). Agarwood was obtained from five countries, and the collection contained over 150 samples. The spectra contained ions from agarwood-specific 5,6,7,8-tetrahydro-2-(2-phenylethyl)chromones as well as many other ions. The data was analyzed using either kernel discriminant analysis or kernel principal component analysis. Probability estimates of origin (wild vs cultivated) were assigned to unknown agarwood samples.\n\nRESULTS\n\nAnalysis of the DART-TOFMS data shows that many of the chromones found in cultivated and wild agarwood samples are similar; however, there is a significant difference in particular chromones that can be used for differentiation. In certain instances, the analysis of these chromones also allows inferences to be made as to the country of origin. Mass Mountaineer™ software provides an estimate of the accuracy of the discriminate model, and an unknown sample can be classified as cultivated or wild. Eleven of the thirteen validation samples (85\\%) were correctly assigned to either cultivated or wild harvested for their respective geographic provenance. The accuracy of each classification can be estimated by probabilities based on Z scores.\n\nCONCLUSIONS\n\nThe direct analysis of wood for the diagnostic chromones using DART-TOFMS followed by discriminant analysis is sufficiently robust to differentiate wild from cultivated agarwood and provides strong inference for the origin of the agarwood. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Espinoza, Edgard O. and Lancaster, Cady A. and Kreitals, Natasha M. and Hata, Masataka and Cody, Robert B. and Blanchette, Robert A.},\n\tyear = {2014},\n\tpages = {281--289},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE It is important for the enforcement of the CITES treaty to determine whether agarwood (a resinous wood produced in Aquilaria and Gyrinops species) seen in trade is from a plantation that was cultivated for sustainable production or was harvested from natural forests which is usually done illegally. METHODS We analyzed wood directly using Direct Analysis in Real Time (DART™) ionization coupled with Time-of-Flight Mass Spectrometry (TOFMS). Agarwood was obtained from five countries, and the collection contained over 150 samples. The spectra contained ions from agarwood-specific 5,6,7,8-tetrahydro-2-(2-phenylethyl)chromones as well as many other ions. The data was analyzed using either kernel discriminant analysis or kernel principal component analysis. Probability estimates of origin (wild vs cultivated) were assigned to unknown agarwood samples. RESULTS Analysis of the DART-TOFMS data shows that many of the chromones found in cultivated and wild agarwood samples are similar; however, there is a significant difference in particular chromones that can be used for differentiation. In certain instances, the analysis of these chromones also allows inferences to be made as to the country of origin. Mass Mountaineer™ software provides an estimate of the accuracy of the discriminate model, and an unknown sample can be classified as cultivated or wild. Eleven of the thirteen validation samples (85%) were correctly assigned to either cultivated or wild harvested for their respective geographic provenance. The accuracy of each classification can be estimated by probabilities based on Z scores. CONCLUSIONS The direct analysis of wood for the diagnostic chromones using DART-TOFMS followed by discriminant analysis is sufficiently robust to differentiate wild from cultivated agarwood and provides strong inference for the origin of the agarwood. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Characterization of mustard seeds and paste by DART ionization with time-of-flight mass spectrometry: Mustard-DART-MS.\n \n \n \n \n\n\n \n Prchalová, J.; Kovařík, F.; Ševčík, R.; Čížková, H.; and Rajchl, A.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 49(9): 811–818. September 2014.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{prchalova_characterization_2014,\n\ttitle = {Characterization of mustard seeds and paste by {DART} ionization with time-of-flight mass spectrometry: {Mustard}-{DART}-{MS}},\n\tvolume = {49},\n\tissn = {10765174},\n\tshorttitle = {Characterization of mustard seeds and paste by {DART} ionization with time-of-flight mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/jms.3419},\n\tdoi = {10.1002/jms.3419},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Prchalová, Jana and Kovařík, František and Ševčík, Rudolf and Čížková, Helena and Rajchl, Aleš},\n\tmonth = sep,\n\tyear = {2014},\n\tpages = {811--818},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n On-line coupling of macroporous resin column chromatography with direct analysis in real time mass spectrometry utilizing a surface flowing mode sample holder.\n \n \n \n \n\n\n \n Zeng, S.; Wang, L.; Chen, T.; and Qu, H.\n\n\n \n\n\n\n Analytica Chimica Acta, 811: 43–50. February 2014.\n \n\n\n\n
\n\n\n\n \n \n \"On-linePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zeng_-line_2014,\n\ttitle = {On-line coupling of macroporous resin column chromatography with direct analysis in real time mass spectrometry utilizing a surface flowing mode sample holder},\n\tvolume = {811},\n\tissn = {00032670},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0003267013015286},\n\tdoi = {10.1016/j.aca.2013.12.014},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zeng, Shanshan and Wang, Lu and Chen, Teng and Qu, Haibin},\n\tmonth = feb,\n\tyear = {2014},\n\tkeywords = {Direct analysis in real time mass spectrometry, Macroporous resin column chromatography, On-line monitoring, Panax notoginseng, Surface flowing mode sample holder},\n\tpages = {43--50},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Chapter 1. An Introduction to Ambient Ionization Mass Spectrometry.\n \n \n \n \n\n\n \n Monge, M. E.; and Fernández, F. M.\n\n\n \n\n\n\n In Domin, M.; and Cody, R., editor(s), New Developments in Mass Spectrometry, pages 1–22. Royal Society of Chemistry, Cambridge, 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ChapterPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{monge_chapter_2014,\n\taddress = {Cambridge},\n\ttitle = {Chapter 1. {An} {Introduction} to {Ambient} {Ionization} {Mass} {Spectrometry}},\n\tisbn = {978-1-84973-926-9},\n\turl = {http://ebook.rsc.org/?DOI=10.1039/9781782628026-00001},\n\tabstract = {Ambient ionization/sampling mass spectrometry (or “ambient mass spectrometry” for short) is a subdiscipline of mass spectrometry that enables direct, high-throughput, surface analysis of native samples. Two flagship ambient mass spectrometry techniques: direct analysis in real time (DART) and desorption electrospray ionization (DESI) have not only enabled experiments previously not possible, but have also been surrounded by a plethora of other techniques, each with their own advantages and specific applications. This chapter introduces the kind of experiments that are the cornerstone of ambient mass spectrometry, and provides a set of select examples to introduce the reader new to the area to the field.},\n\turldate = {2016-01-28},\n\tbooktitle = {New {Developments} in {Mass} {Spectrometry}},\n\tpublisher = {Royal Society of Chemistry},\n\tauthor = {Monge, María Eugenia and Fernández, Facundo M.},\n\teditor = {Domin, Marek and Cody, Robert},\n\tyear = {2014},\n\tpages = {1--22},\n}\n\n\n\n
\n
\n\n\n
\n Ambient ionization/sampling mass spectrometry (or “ambient mass spectrometry” for short) is a subdiscipline of mass spectrometry that enables direct, high-throughput, surface analysis of native samples. Two flagship ambient mass spectrometry techniques: direct analysis in real time (DART) and desorption electrospray ionization (DESI) have not only enabled experiments previously not possible, but have also been surrounded by a plethora of other techniques, each with their own advantages and specific applications. This chapter introduces the kind of experiments that are the cornerstone of ambient mass spectrometry, and provides a set of select examples to introduce the reader new to the area to the field.\n
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\n \n\n \n \n \n \n \n \n Pharmaceutical Identifier Confirmation via DART-TOF.\n \n \n \n \n\n\n \n Easter, J. L.; and Steiner, R. R.\n\n\n \n\n\n\n Forensic science international. April 2014.\n \n\n\n\n
\n\n\n\n \n \n \"PharmaceuticalPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{easter_pharmaceutical_2014,\n\ttitle = {Pharmaceutical {Identifier} {Confirmation} via {DART}-{TOF}},\n\tissn = {0379-0738},\n\turl = {http://dx.doi.org/10.1016/j.forsciint.2014.03.009},\n\tabstract = {•The DART-TOF is suitable as a SWGDRUG Category A technique for the analysis of pharmaceuticals.•This was successfully demonstrated with of the 100\\% correct identity confirmation of all 387 pharmaceuticals.•Drugs with identical masses were differentiated using box plots, PCA, and LDA from their spectral data.•The data produced by the DART-TOF instrument was shown to be reproducible using box plots and error bar plots. Pharmaceutical analysis comprises a large amount of the casework in forensic controlled substances laboratories. In order to reduce the time of analysis for pharmaceuticals, a Direct Analysis in Real Time ion source coupled with an accurate mass Time-of-Flight (DART-TOF) mass spectrometer was used to confirm identity. DART-TOF spectral data for pharmaceutical samples were analyzed and evaluated by comparison to standard spectra. Identical mass pharmaceuticals were differentiated using collision induced dissociation fragmentation, present/absent ions, and abundance comparison box plots; Principal Component Analysis (PCA) and Linear Discriminant Analysis (LDA) were used for differentiation of identical mass mixed drug spectra. Mass assignment reproducibility and robustness tests were performed on the DART-TOF spectra. Impacts on the forensic science community include a decrease in analysis time over the traditional gas chromatograph/mass spectrometry (GCMS) confirmations, better laboratory efficiency, and simpler sample preparation. Using physical identifiers and the DART-TOF to confirm pharmaceutical identity will eliminate the use of GCMS and effectively reduce analysis time while still complying with accepted analysis protocols. This will prove helpful in laboratories with large backlogs and will simplify the confirmation process.},\n\tjournal = {Forensic science international},\n\tauthor = {Easter, Jacob L. and Steiner, Robert R.},\n\tmonth = apr,\n\tyear = {2014},\n\tkeywords = {DART-TOF, Pharmaceutical, controlled substances, mass spectrometry, principal component analysis (PCA)},\n}\n\n\n\n
\n
\n\n\n
\n •The DART-TOF is suitable as a SWGDRUG Category A technique for the analysis of pharmaceuticals.•This was successfully demonstrated with of the 100% correct identity confirmation of all 387 pharmaceuticals.•Drugs with identical masses were differentiated using box plots, PCA, and LDA from their spectral data.•The data produced by the DART-TOF instrument was shown to be reproducible using box plots and error bar plots. Pharmaceutical analysis comprises a large amount of the casework in forensic controlled substances laboratories. In order to reduce the time of analysis for pharmaceuticals, a Direct Analysis in Real Time ion source coupled with an accurate mass Time-of-Flight (DART-TOF) mass spectrometer was used to confirm identity. DART-TOF spectral data for pharmaceutical samples were analyzed and evaluated by comparison to standard spectra. Identical mass pharmaceuticals were differentiated using collision induced dissociation fragmentation, present/absent ions, and abundance comparison box plots; Principal Component Analysis (PCA) and Linear Discriminant Analysis (LDA) were used for differentiation of identical mass mixed drug spectra. Mass assignment reproducibility and robustness tests were performed on the DART-TOF spectra. Impacts on the forensic science community include a decrease in analysis time over the traditional gas chromatograph/mass spectrometry (GCMS) confirmations, better laboratory efficiency, and simpler sample preparation. Using physical identifiers and the DART-TOF to confirm pharmaceutical identity will eliminate the use of GCMS and effectively reduce analysis time while still complying with accepted analysis protocols. This will prove helpful in laboratories with large backlogs and will simplify the confirmation process.\n
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\n \n\n \n \n \n \n \n \n Food Packaging: Strategies for Rapid Phthalate Screening in Real Time by Ambient Ionization Tandem Mass Spectrometry.\n \n \n \n \n\n\n \n Crawford, E.; Crone, C.; Horner, J.; and Musselman, B.\n\n\n \n\n\n\n In Benvenuto, M. A.; Ahuja, S.; Duncan, T. V.; Noonan, G. O.; Roberts-Kirchhoff, E. S.; and American Chemical Society, editor(s), Chemistry of Food, Food Supplements, and Food Contact Materials: From Production to Plate, volume 1159, pages 71–85. American Chemical Society, Washington, DC, January 2014.\n \n\n\n\n
\n\n\n\n \n \n \"FoodPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{crawford_food_2014,\n\taddress = {Washington, DC},\n\ttitle = {Food {Packaging}: {Strategies} for {Rapid} {Phthalate} {Screening} in {Real} {Time} by {Ambient} {Ionization} {Tandem} {Mass} {Spectrometry}},\n\tvolume = {1159},\n\tisbn = {978-0-8412-2952-5 978-0-8412-2953-2},\n\tshorttitle = {Food {Packaging}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/bk-2014-1159.ch006},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tbooktitle = {Chemistry of {Food}, {Food} {Supplements}, and {Food} {Contact} {Materials}: {From} {Production} to {Plate}},\n\tpublisher = {American Chemical Society},\n\tauthor = {Crawford, Elizabeth and Crone, Catharina and Horner, Julie and Musselman, Brian},\n\teditor = {Benvenuto, Mark A. and Ahuja, Satinder and Duncan, Timothy V. and Noonan, Gregory O. and Roberts-Kirchhoff, Elizabeth S. and {American Chemical Society}},\n\tmonth = jan,\n\tyear = {2014},\n\tpages = {71--85},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Thin-layer chromatography/direct analysis in real time time-of-flight mass spectrometry and isotope dilution to analyze organophosphorus insecticides in fatty foods.\n \n \n \n \n\n\n \n Kiguchi, O.; Oka, K.; Tamada, M.; Kobayashi, T.; and Onodera, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1370: 246–254. November 2014.\n \n\n\n\n
\n\n\n\n \n \n \"Thin-layerPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{kiguchi_thin-layer_2014,\n\ttitle = {Thin-layer chromatography/direct analysis in real time time-of-flight mass spectrometry and isotope dilution to analyze organophosphorus insecticides in fatty foods},\n\tvolume = {1370},\n\tissn = {00219673},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0021967314016094},\n\tdoi = {10.1016/j.chroma.2014.10.037},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Kiguchi, Osamu and Oka, Kazuko and Tamada, Masafumi and Kobayashi, Takashi and Onodera, Jun},\n\tmonth = nov,\n\tyear = {2014},\n\tpages = {246--254},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Ambient Surface Analysis of Organic Monolayers using Direct Analysis in Real Time Orbitrap Mass Spectrometry.\n \n \n \n \n\n\n \n Manova, R. K.; Joshi, S.; Debrassi, A.; Bhairamadgi, N. S.; Roeven, E.; Gagnon, J.; Tahir, M. N.; Claassen, F. W.; Scheres, L. M.; Wennekes, T.; Schroën, K.; van Beek, T. A.; Zuilhof, H.; and Nielen, M. W. F.\n\n\n \n\n\n\n Analytical Chemistry, 86(5): 2403–2411. January 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{manova_ambient_2014,\n\ttitle = {Ambient {Surface} {Analysis} of {Organic} {Monolayers} using {Direct} {Analysis} in {Real} {Time} {Orbitrap} {Mass} {Spectrometry}},\n\tvolume = {86},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac4031626},\n\tdoi = {10.1021/ac4031626},\n\tabstract = {A better characterization of nanometer-thick organic layers (monolayers) as used for engineering surface properties, biosensing, nanomedicine, and smart materials will widen their application. The aim of this study was to develop direct analysis in real time high-resolution mass spectrometry (DART-HRMS) into a new and complementary analytical tool for characterizing organic monolayers. To assess the scope and formulate general interpretation rules, DART-HRMS was used to analyze a diverse set of monolayers having different chemistries (amides, esters, amines, acids, alcohols, alkanes, ethers, thioethers, polymers, sugars) on five different substrates (Si, Si3N4, glass, Al2O3, Au). The substrate did not play a major role except in the case of gold, for which breaking of the weak Au?S bond that tethers the monolayer to the surface, was observed. For monolayers with stronger covalent interfacial bonds, fragmentation around terminal groups was found. For ester and amide-terminated monolayers, in situ hydrolysis during DART resulted in the detection of ions characteristic of the terminal groups (alcohol, amine, carboxylic acid). For ether and thioether-terminated layers, scission of C?O or C?S bonds also led to the release of the terminal part of the monolayer in a predictable manner. Only the spectra of alkane monolayers could not be interpreted. DART-HRMS allowed for the analysis of and distinction between monolayers containing biologically relevant mono or disaccharides. Overall, DART-HRMS is a promising surface analysis technique that combines detailed structural information on nanomaterials and ultrathin films with fast analyses under ambient conditions.},\n\tnumber = {5},\n\turldate = {2014-03-31},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Manova, Radostina K. and Joshi, Sweccha and Debrassi, Aline and Bhairamadgi, Nagendra S. and Roeven, Esther and Gagnon, Jacinthe and Tahir, Muhammad N. and Claassen, Frank W. and Scheres, Luc M.W. and Wennekes, Tom and Schroën, Karin and van Beek, Teris A. and Zuilhof, Han and Nielen, Michel W. F.},\n\tmonth = jan,\n\tyear = {2014},\n\tpages = {2403--2411},\n}\n\n\n\n
\n
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\n A better characterization of nanometer-thick organic layers (monolayers) as used for engineering surface properties, biosensing, nanomedicine, and smart materials will widen their application. The aim of this study was to develop direct analysis in real time high-resolution mass spectrometry (DART-HRMS) into a new and complementary analytical tool for characterizing organic monolayers. To assess the scope and formulate general interpretation rules, DART-HRMS was used to analyze a diverse set of monolayers having different chemistries (amides, esters, amines, acids, alcohols, alkanes, ethers, thioethers, polymers, sugars) on five different substrates (Si, Si3N4, glass, Al2O3, Au). The substrate did not play a major role except in the case of gold, for which breaking of the weak Au?S bond that tethers the monolayer to the surface, was observed. For monolayers with stronger covalent interfacial bonds, fragmentation around terminal groups was found. For ester and amide-terminated monolayers, in situ hydrolysis during DART resulted in the detection of ions characteristic of the terminal groups (alcohol, amine, carboxylic acid). For ether and thioether-terminated layers, scission of C?O or C?S bonds also led to the release of the terminal part of the monolayer in a predictable manner. Only the spectra of alkane monolayers could not be interpreted. DART-HRMS allowed for the analysis of and distinction between monolayers containing biologically relevant mono or disaccharides. Overall, DART-HRMS is a promising surface analysis technique that combines detailed structural information on nanomaterials and ultrathin films with fast analyses under ambient conditions.\n
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\n \n\n \n \n \n \n \n \n Rapid detection by direct analysis in real time-mass spectrometry (DART-MS) of psychoactive plant drugs of abuse: The case of Mitragyna speciosa aka “Kratom”.\n \n \n \n \n\n\n \n Lesiak, A. D.; Cody, R. B.; Dane, A. J.; and Musah, R. A.\n\n\n \n\n\n\n Forensic Science International, 242: 210–218. September 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_rapid_2014,\n\ttitle = {Rapid detection by direct analysis in real time-mass spectrometry ({DART}-{MS}) of psychoactive plant drugs of abuse: {The} case of {Mitragyna} speciosa aka “{Kratom}”},\n\tvolume = {242},\n\tissn = {03790738},\n\tshorttitle = {Rapid detection by direct analysis in real time-mass spectrometry ({DART}-{MS}) of psychoactive plant drugs of abuse},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073814002898},\n\tdoi = {10.1016/j.forsciint.2014.07.005},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Forensic Science International},\n\tauthor = {Lesiak, Ashton D. and Cody, Robert B. and Dane, A. John and Musah, Rabi A.},\n\tmonth = sep,\n\tyear = {2014},\n\tpages = {210--218},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Chapter 18. Enabling Automated Sample Analysis by Direct Analysis in Real Time (DART) Mass Spectrometry.\n \n \n \n \n\n\n \n Musselman, B.; Tice, J.; and Crawford, E.\n\n\n \n\n\n\n In Domin, M.; and Cody, R., editor(s), New Developments in Mass Spectrometry, pages 445–461. Royal Society of Chemistry, Cambridge, 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ChapterPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{musselman_chapter_2014,\n\taddress = {Cambridge},\n\ttitle = {Chapter 18. {Enabling} {Automated} {Sample} {Analysis} by {Direct} {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry}},\n\tisbn = {978-1-84973-926-9},\n\turl = {http://ebook.rsc.org/?DOI=10.1039/9781782628026-00445},\n\tabstract = {Accurate chemical measurements are often generated by using complex sampling systems designed to deliver exact volumes of sample to the site of measurement. Sample preparation for analytical mass spectrometry can be labor intensive even when using robotic sample handling devices. Ambient ionization presents a different sampling challenge for analytical chemist since samples can be analyzed in their original form whether it be a solid or a liquid. The dream of “skip the prep go direct” would be fulfilled if it were possible to completely characterize a sample by simply holding it in the ionizing region and collecting the mass spectrum. This work describes our efforts to design and fabricate an easy-to-use, inexpensive sample presentation system for use with our direct analysis in real time (DART) desorption ionization source. The use of sample-specific experimental modules will be presented along with results from pharmaceutical tablet characterization for detection of trace pesticide residues in foodstuffs.},\n\turldate = {2016-01-28},\n\tbooktitle = {New {Developments} in {Mass} {Spectrometry}},\n\tpublisher = {Royal Society of Chemistry},\n\tauthor = {Musselman, Brian and Tice, Joseph and Crawford, Elizabeth},\n\teditor = {Domin, Marek and Cody, Robert},\n\tyear = {2014},\n\tpages = {445--461},\n}\n\n\n\n
\n
\n\n\n
\n Accurate chemical measurements are often generated by using complex sampling systems designed to deliver exact volumes of sample to the site of measurement. Sample preparation for analytical mass spectrometry can be labor intensive even when using robotic sample handling devices. Ambient ionization presents a different sampling challenge for analytical chemist since samples can be analyzed in their original form whether it be a solid or a liquid. The dream of “skip the prep go direct” would be fulfilled if it were possible to completely characterize a sample by simply holding it in the ionizing region and collecting the mass spectrum. This work describes our efforts to design and fabricate an easy-to-use, inexpensive sample presentation system for use with our direct analysis in real time (DART) desorption ionization source. The use of sample-specific experimental modules will be presented along with results from pharmaceutical tablet characterization for detection of trace pesticide residues in foodstuffs.\n
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\n \n\n \n \n \n \n \n \n Analysis of Geting Bituminous Coal by Electrospray Ionization and Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Fan, X.; Chen, L.; Wang, S.; Qing, Y.; Wei, X.; Zhao, Y.; Zheng, A.; Zhu, J.; and You, C.\n\n\n \n\n\n\n Analytical Letters, 47(12): 2012–2022. August 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{fan_analysis_2014,\n\ttitle = {Analysis of {Geting} {Bituminous} {Coal} by {Electrospray} {Ionization} and {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {47},\n\tissn = {0003-2719, 1532-236X},\n\turl = {http://www.tandfonline.com/doi/abs/10.1080/00032719.2014.895906},\n\tdoi = {10.1080/00032719.2014.895906},\n\tlanguage = {en},\n\tnumber = {12},\n\turldate = {2016-01-28},\n\tjournal = {Analytical Letters},\n\tauthor = {Fan, Xing and Chen, Lu and Wang, Shou-Ze and Qing, Yu and Wei, Xian-Yong and Zhao, Yun-Peng and Zheng, Ai-Li and Zhu, Ji-Liang and You, Chun-Yan},\n\tmonth = aug,\n\tyear = {2014},\n\tpages = {2012--2022},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n An Effective Approach for Coupling Direct Analysis in Real Time with Atmospheric Pressure Drift Tube Ion Mobility Spectrometry.\n \n \n \n \n\n\n \n Keelor, J. D.; Dwivedi, P.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 25(9): 1538–1548. September 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{keelor_effective_2014,\n\ttitle = {An {Effective} {Approach} for {Coupling} {Direct} {Analysis} in {Real} {Time} with {Atmospheric} {Pressure} {Drift} {Tube} {Ion} {Mobility} {Spectrometry}},\n\tvolume = {25},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-014-0926-8},\n\tdoi = {10.1007/s13361-014-0926-8},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-28},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Keelor, Joel D. and Dwivedi, Prabha and Fernández, Facundo M.},\n\tmonth = sep,\n\tyear = {2014},\n\tpages = {1538--1548},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Mass Spectrometry of Spacecraft Contamination Using Direct Analysis in Real-Time Ion Source.\n \n \n \n \n\n\n \n Anderson, M. S.\n\n\n \n\n\n\n Journal of Spacecraft and Rockets,1–5. January 2014.\n \n\n\n\n
\n\n\n\n \n \n \"MassPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{anderson_mass_2014,\n\ttitle = {Mass {Spectrometry} of {Spacecraft} {Contamination} {Using} {Direct} {Analysis} in {Real}-{Time} {Ion} {Source}},\n\tissn = {0022-4650},\n\turl = {http://dx.doi.org/10.2514/1.A32613},\n\tdoi = {10.2514/1.A32613},\n\tabstract = {Spacecraft contamination was analyzed using mass spectrometry with the direct analysis in real-time ionization source. This source uses metastable helium for soft ionization and to mediate atmospheric desorption of samples into a mass spectrometer. The sampling methodology allows polymers to be assessed for the presence of vacuum labile components. Vacuum labile residues are significant sources of contamination on spacecraft optics, science instruments, and thermal control surfaces. The methodology also provides sensitive analysis of molecular contamination on spacecraft surfaces using existing spacecraft sampling procedures. This provides identification information for a wide range of molecular components including biomarker compounds.\n\n\nRead More: http://arc.aiaa.org/doi/abs/10.2514/1.A32613},\n\turldate = {2014-01-28},\n\tjournal = {Journal of Spacecraft and Rockets},\n\tauthor = {Anderson, Mark S.},\n\tmonth = jan,\n\tyear = {2014},\n\tpages = {1--5},\n}\n\n\n\n
\n
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\n Spacecraft contamination was analyzed using mass spectrometry with the direct analysis in real-time ionization source. This source uses metastable helium for soft ionization and to mediate atmospheric desorption of samples into a mass spectrometer. The sampling methodology allows polymers to be assessed for the presence of vacuum labile components. Vacuum labile residues are significant sources of contamination on spacecraft optics, science instruments, and thermal control surfaces. The methodology also provides sensitive analysis of molecular contamination on spacecraft surfaces using existing spacecraft sampling procedures. This provides identification information for a wide range of molecular components including biomarker compounds. Read More: http://arc.aiaa.org/doi/abs/10.2514/1.A32613\n
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\n \n\n \n \n \n \n \n \n DART–MS in-source collision induced dissociation and high mass accuracy for new psychoactive substance determinations.\n \n \n \n \n\n\n \n Musah, R. A.; Cody, R. B.; Domin, M. A.; Lesiak, A. D.; Dane, A. J.; and Shepard, J. R.\n\n\n \n\n\n\n Forensic Science International, 244: 42–49. November 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DART–MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{musah_dartms_2014,\n\ttitle = {{DART}–{MS} in-source collision induced dissociation and high mass accuracy for new psychoactive substance determinations},\n\tvolume = {244},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073814003132},\n\tdoi = {10.1016/j.forsciint.2014.07.028},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Forensic Science International},\n\tauthor = {Musah, Rabi A. and Cody, Robert B. and Domin, Marek A. and Lesiak, Ashton D. and Dane, A. John and Shepard, Jason R.E.},\n\tmonth = nov,\n\tyear = {2014},\n\tpages = {42--49},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Wide range mass calibration for negative-ion direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 20(2): 155. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"WidePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{gross_wide_2014,\n\ttitle = {Wide range mass calibration for negative-ion direct analysis in real time mass spectrometry},\n\tvolume = {20},\n\tissn = {1356-1049},\n\turl = {http://www.impublications.com/content/abstract?code=E20_0155},\n\tdoi = {10.1255/ejms.1266},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-01-28},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Gross, Jürgen},\n\tyear = {2014},\n\tpages = {155},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Metabolite Profiling by Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n \n\n\n \n Jones, C. M.; Monge, M. E.; and Fernández, F. M.\n\n\n \n\n\n\n In Raftery, D., editor(s), Mass Spectrometry in Metabolomics, volume 1198, pages 275–289. Springer New York, New York, NY, 2014.\n \n\n\n\n
\n\n\n\n \n \n \"MetabolitePaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@incollection{jones_metabolite_2014,\n\taddress = {New York, NY},\n\ttitle = {Metabolite {Profiling} by {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}},\n\tvolume = {1198},\n\tisbn = {978-1-4939-1257-5 978-1-4939-1258-2},\n\turl = {http://link.springer.com/10.1007/978-1-4939-1258-2_18},\n\turldate = {2016-01-28},\n\tbooktitle = {Mass {Spectrometry} in {Metabolomics}},\n\tpublisher = {Springer New York},\n\tauthor = {Jones, Christina M. and Monge, María Eugenia and Fernández, Facundo M.},\n\teditor = {Raftery, Daniel},\n\tyear = {2014},\n\tpages = {275--289},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Online Coupling of In-Tube Solid-Phase Microextraction with Direct Analysis in Real Time Mass Spectrometry for Rapid Determination of Triazine Herbicides in Water Using Carbon-Nanotubes-Incorporated Polymer Monolith.\n \n \n \n \n\n\n \n Wang, X.; Li, X.; Li, Z.; Zhang, Y.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical Chemistry, 86(10): 4739–4747. May 2014.\n \n\n\n\n
\n\n\n\n \n \n \"OnlinePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_online_2014,\n\ttitle = {Online {Coupling} of {In}-{Tube} {Solid}-{Phase} {Microextraction} with {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} for {Rapid} {Determination} of {Triazine} {Herbicides} in {Water} {Using} {Carbon}-{Nanotubes}-{Incorporated} {Polymer} {Monolith}},\n\tvolume = {86},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac500382x},\n\tdoi = {10.1021/ac500382x},\n\tlanguage = {en},\n\tnumber = {10},\n\turldate = {2016-01-28},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Wang, Xin and Li, Xianjiang and Li, Ze and Zhang, Yiding and Bai, Yu and Liu, Huwei},\n\tmonth = may,\n\tyear = {2014},\n\tpages = {4739--4747},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Ionization characteristics of amino acids in direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Sekimoto, K.; Sakakura, M.; Kawamukai, T.; Hike, H.; Shiota, T.; Usui, F.; Bando, Y.; and Takayama, M.\n\n\n \n\n\n\n Analyst. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"IonizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{sekimoto_ionization_2014,\n\ttitle = {Ionization characteristics of amino acids in direct analysis in real time mass spectrometry},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN02193A},\n\tdoi = {10.1039/C3AN02193A},\n\tabstract = {The positive and negative ionization characteristics of 20 different [small alpha]-amino acids were investigated in Direct Analysis in Real Time (DART) mass spectrometry. Almost all of the amino acids M were ionized to generate the (de)protonated analytes [M +/- H]+/- via proton transfer reactions with the typical background ions H3O+(H2O)n and O2?- and resonant electron capture by M. The application of DART to amino acids also resulted in molecular ion formation, fragmentation, oxidations involving oxygen attachment and hydrogen loss, and formation of adducts [M + R]- with negative background ions R- (O2?-, HCO2-, NO2- and COO-(COOH)), depending on the physicochemical and/or structural properties of the individual amino acid. The relationship between each amino acid and the ionization reactions observed suggested that fragmentation can be attributed to pyrolysis during analyte desorption, as well as excess energy obtained via (de)protonation. Oxidation and [M + R]- adduct formation, in contrast, most likely originate from reactions with active oxygen such as hydroxyl radical HO?, indicating that the typical background neutral species involved in analyte ionization in DART contain HO?.},\n\tjournal = {Analyst},\n\tauthor = {Sekimoto, Kanako and Sakakura, Motoshi and Kawamukai, Takatomo and Hike, Hiroshi and Shiota, Teruhisa and Usui, Fumihiko and Bando, Yasuhiko and Takayama, Mitsuo},\n\tyear = {2014},\n}\n\n\n\n
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\n\n\n
\n The positive and negative ionization characteristics of 20 different [small alpha]-amino acids were investigated in Direct Analysis in Real Time (DART) mass spectrometry. Almost all of the amino acids M were ionized to generate the (de)protonated analytes [M +/- H]+/- via proton transfer reactions with the typical background ions H3O+(H2O)n and O2?- and resonant electron capture by M. The application of DART to amino acids also resulted in molecular ion formation, fragmentation, oxidations involving oxygen attachment and hydrogen loss, and formation of adducts [M + R]- with negative background ions R- (O2?-, HCO2-, NO2- and COO-(COOH)), depending on the physicochemical and/or structural properties of the individual amino acid. The relationship between each amino acid and the ionization reactions observed suggested that fragmentation can be attributed to pyrolysis during analyte desorption, as well as excess energy obtained via (de)protonation. Oxidation and [M + R]- adduct formation, in contrast, most likely originate from reactions with active oxygen such as hydroxyl radical HO?, indicating that the typical background neutral species involved in analyte ionization in DART contain HO?.\n
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\n \n\n \n \n \n \n \n \n Determination of stabilisers in polymeric materials used as encapsulants in photovoltaic modules.\n \n \n \n \n\n\n \n Hintersteiner, I.; Sternbauer, L.; Beissmann, S.; Buchberger, W. W.; and Wallner, G. M.\n\n\n \n\n\n\n Polymer Testing, 33: 172–178. February 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{hintersteiner_determination_2014,\n\ttitle = {Determination of stabilisers in polymeric materials used as encapsulants in photovoltaic modules},\n\tvolume = {33},\n\tissn = {01429418},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0142941813002468},\n\tdoi = {10.1016/j.polymertesting.2013.12.004},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Polymer Testing},\n\tauthor = {Hintersteiner, Ingrid and Sternbauer, Lucas and Beissmann, Susanne and Buchberger, Wolfgang W. and Wallner, Gernot M.},\n\tmonth = feb,\n\tyear = {2014},\n\tpages = {172--178},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Accurate Mass Fragment Library for Rapid Analysis of Pesticides on Produce Using Ambient Pressure Desorption Ionization with High-Resolution Mass Spectrometry.\n \n \n \n \n\n\n \n Kern, S. E.; Lin, L. A.; and Fricke, F. L.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 25(8): 1482–1488. August 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AccuratePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{kern_accurate_2014,\n\ttitle = {Accurate {Mass} {Fragment} {Library} for {Rapid} {Analysis} of {Pesticides} on {Produce} {Using} {Ambient} {Pressure} {Desorption} {Ionization} with {High}-{Resolution} {Mass} {Spectrometry}},\n\tvolume = {25},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-014-0912-1},\n\tdoi = {10.1007/s13361-014-0912-1},\n\tlanguage = {en},\n\tnumber = {8},\n\turldate = {2016-01-28},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Kern, Sara E. and Lin, Lora A. and Fricke, Frederick L.},\n\tmonth = aug,\n\tyear = {2014},\n\tpages = {1482--1488},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Non-targeted metabolomic analysis of orange (Citrus sinensis [L.] Osbeck) wild type and bud mutant fruits by direct analysis in real-time and HPLC-electrospray mass spectrometry.\n \n \n \n \n\n\n \n Pan, Z.; Li, Y.; Deng, X.; and Xiao, S.\n\n\n \n\n\n\n Metabolomics, 10(3). June 2014.\n \n\n\n\n
\n\n\n\n \n \n \"Non-targetedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{pan_non-targeted_2014,\n\ttitle = {Non-targeted metabolomic analysis of orange ({Citrus} sinensis [{L}.] {Osbeck}) wild type and bud mutant fruits by direct analysis in real-time and {HPLC}-electrospray mass spectrometry},\n\tvolume = {10},\n\tissn = {1573-3882, 1573-3890},\n\turl = {http://link.springer.com/10.1007/s11306-013-0597-7},\n\tdoi = {10.1007/s11306-013-0597-7},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-28},\n\tjournal = {Metabolomics},\n\tauthor = {Pan, Zhiyong and Li, Yue and Deng, Xiuxin and Xiao, Shunyuan},\n\tmonth = jun,\n\tyear = {2014},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Solid-phase extraction with the metal–organic framework MIL-101(Cr) combined with direct analysis in real time mass spectrometry for the fast analysis of triazine herbicides.\n \n \n \n \n\n\n \n Li, X.; Xing, J.; Chang, C.; Wang, X.; Bai, Y.; Yan, X.; and Liu, H.\n\n\n \n\n\n\n Journal of Separation Science,n/a–n/a. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"Solid-phasePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{li_solid-phase_2014,\n\ttitle = {Solid-phase extraction with the metal–organic framework {MIL}-101({Cr}) combined with direct analysis in real time mass spectrometry for the fast analysis of triazine herbicides},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.201400151},\n\tdoi = {10.1002/jssc.201400151},\n\tabstract = {MIL-101(Cr) is an excellent metal–organic framework with high surface area and nanoscale cavities, making it promising in solid-phase extraction. Herein, we used MIL-101(Cr) as a solid-phase extraction packing material combined with fast detection of direct analysis in real time mass spectrometry (DART-MS) for the analysis of triazine herbicides. After systematic optimization of the operation parameters, including the gas temperature of DART, the moving speed of the 1D platform, solvent for desorption, amount of MIL-101(Cr) and extraction time, this method can realize the simultaneous detection of five kinds of triazine herbicides. The limits of detection were 0.1∼0.2 ng/mL and the linear ranges covered more than two orders of magnitude with the quantitation limits of 0.5∼1 ng/mL. Moreover, the developed method has been applied for the analysis of lake water samples and the recoveries for spiked analytes were in the range of 85∼110\\%. These results showed that solid-phase extraction with metal–organic frameworks is an efficient sample preparation approach for DART-MS analysis and could find more applications in environmental analysis. This article is protected by copyright. All rights reserved},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Li, Xianjiang and Xing, Jiawei and Chang, Cuilan and Wang, Xin and Bai, Yu and Yan, Xiuping and Liu, Huwei},\n\tyear = {2014},\n\tkeywords = {DART-MS, fast analysis, metal-organic frameworks, solid-phase extraction, triazine herbicides},\n\tpages = {n/a--n/a},\n}\n\n\n\n
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\n MIL-101(Cr) is an excellent metal–organic framework with high surface area and nanoscale cavities, making it promising in solid-phase extraction. Herein, we used MIL-101(Cr) as a solid-phase extraction packing material combined with fast detection of direct analysis in real time mass spectrometry (DART-MS) for the analysis of triazine herbicides. After systematic optimization of the operation parameters, including the gas temperature of DART, the moving speed of the 1D platform, solvent for desorption, amount of MIL-101(Cr) and extraction time, this method can realize the simultaneous detection of five kinds of triazine herbicides. The limits of detection were 0.1∼0.2 ng/mL and the linear ranges covered more than two orders of magnitude with the quantitation limits of 0.5∼1 ng/mL. Moreover, the developed method has been applied for the analysis of lake water samples and the recoveries for spiked analytes were in the range of 85∼110%. These results showed that solid-phase extraction with metal–organic frameworks is an efficient sample preparation approach for DART-MS analysis and could find more applications in environmental analysis. This article is protected by copyright. All rights reserved\n
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\n \n\n \n \n \n \n \n \n Detection of trace palladium by direct analysis in real time mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Zhang, Q.; Bethke, J.; and Patek, M.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 374: 39–43. December 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{zhang_detection_2014,\n\ttitle = {Detection of trace palladium by direct analysis in real time mass spectrometry ({DART}-{MS})},\n\tvolume = {374},\n\tissn = {13873806},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1387380614004370},\n\tdoi = {10.1016/j.ijms.2014.10.014},\n\tabstract = {A detection method for palladium by direct analysis in real time (DART-MS) was developed. The method was used for the detection and semi-quantification of palladium in compound samples for which palladium was used during synthesis from compound collections in early drug discovery. The samples containing palladium were mixed with the chelating agent 4-methyl-piperazine-1-carbodithioate and a palladium chelating complex was subsequently formed and detected by DART-MS. The distinct isotopic pattern of palladium was observed and used for its qualitative identification. Semi-quantification was performed based on the peak areas of the extracted ion currents for the four most abundant isotope peaks at m/z 456, 457, 459 and 461. The limit of detection for this method was observed to be 1.2 μM (120 ppb). With DART ionization, rapid analysis of 18 s per sample was achieved with low carryover. Different solvents and chelating agents were also tested for this analysis, and satisfactory signal intensity was obtained using both volatile and nonvolatile solvents.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Zhang, Qingfen and Bethke, Jennifer and Patek, Marcel},\n\tmonth = dec,\n\tyear = {2014},\n\tpages = {39--43},\n}\n\n\n\n
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\n A detection method for palladium by direct analysis in real time (DART-MS) was developed. The method was used for the detection and semi-quantification of palladium in compound samples for which palladium was used during synthesis from compound collections in early drug discovery. The samples containing palladium were mixed with the chelating agent 4-methyl-piperazine-1-carbodithioate and a palladium chelating complex was subsequently formed and detected by DART-MS. The distinct isotopic pattern of palladium was observed and used for its qualitative identification. Semi-quantification was performed based on the peak areas of the extracted ion currents for the four most abundant isotope peaks at m/z 456, 457, 459 and 461. The limit of detection for this method was observed to be 1.2 μM (120 ppb). With DART ionization, rapid analysis of 18 s per sample was achieved with low carryover. Different solvents and chelating agents were also tested for this analysis, and satisfactory signal intensity was obtained using both volatile and nonvolatile solvents.\n
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\n \n\n \n \n \n \n \n \n Recent advances in forensic drug analysis by DART-MS.\n \n \n \n \n\n\n \n Lesiak, A. D; and Shepard, J. R.\n\n\n \n\n\n\n Bioanalysis, 6(6): 819–842. March 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RecentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_recent_2014,\n\ttitle = {Recent advances in forensic drug analysis by {DART}-{MS}},\n\tvolume = {6},\n\tissn = {1757-6180},\n\turl = {http://dx.doi.org/10.4155/bio.14.31},\n\tdoi = {10.4155/bio.14.31},\n\tabstract = {Mass spectrometry methods play a major role in many forensic applications. While gas chromatography–mass spectrometry methods are commonly used in crime laboratories and enforcement agencies, a variety of advanced techniques are now available that can improve upon standard methods and address emerging issues in forensic science. New mass spectrometry technologies include more versatile ionization sources, allowing the next generation of instrumentation to be more multipurpose and adaptable to the needs of the discipline. Direct analysis in real-time mass spectrometry is an ambient ionization method that allows direct testing of gas, liquid and solid samples without the need for any preparation or extraction, based on thermal desorption and ionization directly from the sample surface. This Review will provide an in-depth description of direct analysis in real-time time-of-flight mass spectrometry as applied to samples relevant to forensic science, with a focus on analysis and characterization related to forensic drug chemistry.},\n\tnumber = {6},\n\turldate = {2014-04-10},\n\tjournal = {Bioanalysis},\n\tauthor = {Lesiak, Ashton D and Shepard, Jason RE},\n\tmonth = mar,\n\tyear = {2014},\n\tpages = {819--842},\n}\n\n\n\n
\n
\n\n\n
\n Mass spectrometry methods play a major role in many forensic applications. While gas chromatography–mass spectrometry methods are commonly used in crime laboratories and enforcement agencies, a variety of advanced techniques are now available that can improve upon standard methods and address emerging issues in forensic science. New mass spectrometry technologies include more versatile ionization sources, allowing the next generation of instrumentation to be more multipurpose and adaptable to the needs of the discipline. Direct analysis in real-time mass spectrometry is an ambient ionization method that allows direct testing of gas, liquid and solid samples without the need for any preparation or extraction, based on thermal desorption and ionization directly from the sample surface. This Review will provide an in-depth description of direct analysis in real-time time-of-flight mass spectrometry as applied to samples relevant to forensic science, with a focus on analysis and characterization related to forensic drug chemistry.\n
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\n \n\n \n \n \n \n \n \n High-mass cluster ions of ionic liquids in positive-ion and negative-ion DART-MS and their application for wide-range mass calibrations.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–10. March 2014.\n \n\n\n\n
\n\n\n\n \n \n \"High-massPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{gross_high-mass_2014,\n\ttitle = {High-mass cluster ions of ionic liquids in positive-ion and negative-ion {DART}-{MS} and their application for wide-range mass calibrations},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-014-7720-0},\n\tdoi = {10.1007/s00216-014-7720-0},\n\tabstract = {Eight ionic liquids (ILs) are subjected to both positive-ion and negative-ion direct analyses in real time (DART) Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS). First, their ability to deliver evenly distributed cluster ion series covering a wide m/z range is explored. Then, one of the ILs exhibiting particularly useful cluster ion series in either ion polarity is applied for mass calibration. Using 1-butyl-3-methylimidazolium tricyanomethide delivers positive cluster ions suitable for mass calibration in the m/z 100–4,000 range and covers the m/z 100–2,000 range in negative-ion DART-MS. The corresponding mass reference lists are provided for either polarity. Furthermore, based on 1-butyl-3-methylimidazolium tricyanomethide, a high-mass record of m/z {\\textgreater} 5,000 for positive-ion DART-MS is presented. The mass calibration procedure is finally validated by application to established standard compounds such as polydimethylsiloxanes, perfluorononanoic acid, and Ultramark 1621, a mixture of hexakis (fluoroalkoxy) phosphazenes. Further proof is presented by consistent exact mass differences between adjacent cluster ions.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = mar,\n\tyear = {2014},\n\tkeywords = {Accurate mass, Cluster ions, Direct analysis in real time (DART), FT-ICR–MS, High-mass record, Ionic liquids, Mass calibration, mass spectrometry},\n\tpages = {1--10},\n}\n\n\n\n
\n
\n\n\n
\n Eight ionic liquids (ILs) are subjected to both positive-ion and negative-ion direct analyses in real time (DART) Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS). First, their ability to deliver evenly distributed cluster ion series covering a wide m/z range is explored. Then, one of the ILs exhibiting particularly useful cluster ion series in either ion polarity is applied for mass calibration. Using 1-butyl-3-methylimidazolium tricyanomethide delivers positive cluster ions suitable for mass calibration in the m/z 100–4,000 range and covers the m/z 100–2,000 range in negative-ion DART-MS. The corresponding mass reference lists are provided for either polarity. Furthermore, based on 1-butyl-3-methylimidazolium tricyanomethide, a high-mass record of m/z \\textgreater 5,000 for positive-ion DART-MS is presented. The mass calibration procedure is finally validated by application to established standard compounds such as polydimethylsiloxanes, perfluorononanoic acid, and Ultramark 1621, a mixture of hexakis (fluoroalkoxy) phosphazenes. Further proof is presented by consistent exact mass differences between adjacent cluster ions.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time – High resolution mass spectrometry as a valuable tool for the pharmaceutical drug development.\n \n \n \n \n\n\n \n Srbek, J.; Klejdus, B.; Douša, M.; Břicháč, J.; Stasiak, P.; Reitmajer, J.; and Nováková, L.\n\n\n \n\n\n\n Talanta, 130: 518–526. December 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{srbek_direct_2014,\n\ttitle = {Direct analysis in real time – {High} resolution mass spectrometry as a valuable tool for the pharmaceutical drug development},\n\tvolume = {130},\n\tissn = {00399140},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0039914014005608},\n\tdoi = {10.1016/j.talanta.2014.07.007},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Talanta},\n\tauthor = {Srbek, Jan and Klejdus, Bořivoj and Douša, Michal and Břicháč, Jiří and Stasiak, Pawel and Reitmajer, Josef and Nováková, Lucie},\n\tmonth = dec,\n\tyear = {2014},\n\tpages = {518--526},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time-Mass Spectrometry for the Rapid Detection of Metabolites of Aconite Alkaloids in Intestinal Bacteria.\n \n \n \n \n\n\n \n Li, X.; Hou, G.; Xing, J.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 25(12): 2181–2184. December 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_direct_2014,\n\ttitle = {Direct {Analysis} in {Real} {Time}-{Mass} {Spectrometry} for the {Rapid} {Detection} of {Metabolites} of {Aconite} {Alkaloids} in {Intestinal} {Bacteria}},\n\tvolume = {25},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-014-0991-z},\n\tdoi = {10.1007/s13361-014-0991-z},\n\tlanguage = {en},\n\tnumber = {12},\n\turldate = {2016-01-28},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Li, Xue and Hou, Guangyue and Xing, Junpeng and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tmonth = dec,\n\tyear = {2014},\n\tpages = {2181--2184},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Humidity Affects Relative Ion Abundance in Direct Analysis in Real Time Mass Spectrometry of Hexamethylene Triperoxide Diamine.\n \n \n \n \n\n\n \n Newsome, G. A.; Ackerman, L. K.; and Johnson, K. J.\n\n\n \n\n\n\n Analytical Chemistry, 86(24): 11977–11980. December 2014.\n \n\n\n\n
\n\n\n\n \n \n \"HumidityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{newsome_humidity_2014,\n\ttitle = {Humidity {Affects} {Relative} {Ion} {Abundance} in {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} of {Hexamethylene} {Triperoxide} {Diamine}},\n\tvolume = {86},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac503652x},\n\tdoi = {10.1021/ac503652x},\n\tabstract = {Unstable explosive hexamethylene triperoxide diamine (HMTD) is dangerous in quantity and benefits from the minimal sampling handling associated with atmospheric pressure chemical ionization for mass spectral analysis. Seasonal variation observed in HMTD mass spectra suggested a humidity dependence. Therefore, direct analysis in real time (DART) ionization mass spectra were acquired at a range of humidity values. An enclosure was designed to fit around the ion source and mass spectrometer inlet at atmospheric pressure. The enclosure was supplied with controlled amounts of humidified air from a test atmosphere generator to create programmable conditions for ambient analysis. The relative abundance and fragmentation of analyte ions were observed to change reliably with changing humidity values and, to a lesser degree, temperature. Humidity at such plasma-based ion sources should be regulated to avoid ∼90\\% shifts in relative ion abundance and provide stability and reproducibility of HMTD analysis.},\n\tlanguage = {en},\n\tnumber = {24},\n\turldate = {2016-01-28},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Newsome, G. Asher and Ackerman, Luke K. and Johnson, Kevin J.},\n\tmonth = dec,\n\tyear = {2014},\n\tpages = {11977--11980},\n}\n\n\n\n
\n
\n\n\n
\n Unstable explosive hexamethylene triperoxide diamine (HMTD) is dangerous in quantity and benefits from the minimal sampling handling associated with atmospheric pressure chemical ionization for mass spectral analysis. Seasonal variation observed in HMTD mass spectra suggested a humidity dependence. Therefore, direct analysis in real time (DART) ionization mass spectra were acquired at a range of humidity values. An enclosure was designed to fit around the ion source and mass spectrometer inlet at atmospheric pressure. The enclosure was supplied with controlled amounts of humidified air from a test atmosphere generator to create programmable conditions for ambient analysis. The relative abundance and fragmentation of analyte ions were observed to change reliably with changing humidity values and, to a lesser degree, temperature. Humidity at such plasma-based ion sources should be regulated to avoid ∼90% shifts in relative ion abundance and provide stability and reproducibility of HMTD analysis.\n
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\n \n\n \n \n \n \n \n \n Application of direct analysis in real time to a multiphase chemical system: Identification of polymeric arsanes generated by reduction of monomethylarsenate with sodium tetrahydroborate.\n \n \n \n \n\n\n \n Pagliano, E.; Onor, M.; McCooeye, M.; D’Ulivo, A.; Sturgeon, R. E.; and Mester, Z.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 371: 42–46. October 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{pagliano_application_2014,\n\ttitle = {Application of direct analysis in real time to a multiphase chemical system: {Identification} of polymeric arsanes generated by reduction of monomethylarsenate with sodium tetrahydroborate},\n\tvolume = {371},\n\tissn = {13873806},\n\tshorttitle = {Application of direct analysis in real time to a multiphase chemical system},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1387380614003194},\n\tdoi = {10.1016/j.ijms.2014.07.048},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Pagliano, Enea and Onor, Massimo and McCooeye, Margaret and D’Ulivo, Alessandro and Sturgeon, Ralph E. and Mester, Zoltán},\n\tmonth = oct,\n\tyear = {2014},\n\tpages = {42--46},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Solid phase microextraction (SPME)-transmission mode (TM) pushes down detection limits in direct analysis in real time (DART).\n \n \n \n \n\n\n \n Gómez-Ríos, G. A.; and Pawliszyn, J.\n\n\n \n\n\n\n Chem. Commun., 50(85): 12937–12940. August 2014.\n \n\n\n\n
\n\n\n\n \n \n \"SolidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{gomez-rios_solid_2014,\n\ttitle = {Solid phase microextraction ({SPME})-transmission mode ({TM}) pushes down detection limits in direct analysis in real time ({DART})},\n\tvolume = {50},\n\tissn = {1359-7345, 1364-548X},\n\turl = {http://xlink.rsc.org/?DOI=C4CC05301J},\n\tdoi = {10.1039/C4CC05301J},\n\tlanguage = {en},\n\tnumber = {85},\n\turldate = {2016-01-28},\n\tjournal = {Chem. Commun.},\n\tauthor = {Gómez-Ríos, Germán Augusto and Pawliszyn, Janusz},\n\tmonth = aug,\n\tyear = {2014},\n\tpages = {12937--12940},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid process development of chromatographic process using direct analysis in real time mass spectrometry as a process analytical technology tool.\n \n \n \n \n\n\n \n Yan, B.; Chen, T.; Xu, Z.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 94: 106–110. June 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{yan_rapid_2014,\n\ttitle = {Rapid process development of chromatographic process using direct analysis in real time mass spectrometry as a process analytical technology tool},\n\tvolume = {94},\n\tissn = {07317085},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0731708514000703},\n\tdoi = {10.1016/j.jpba.2014.01.033},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Yan, Binjun and Chen, Teng and Xu, Zhilin and Qu, Haibin},\n\tmonth = jun,\n\tyear = {2014},\n\tkeywords = {Chromatographic process, Direct analysis in real time mass spectrometry, Ginkgolides, Process analytical technology, Quality by design, Rapid process development},\n\tpages = {106--110},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Role of Water and Phase in the Heterogeneous Oxidation of Solid and Aqueous Succinic Acid Aerosol by Hydroxyl Radicals.\n \n \n \n \n\n\n \n Chan, M. N.; Zhang, H.; Goldstein, A. H.; and Wilson, K. R.\n\n\n \n\n\n\n The Journal of Physical Chemistry C, 118(50): 28978–28992. December 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RolePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chan_role_2014,\n\ttitle = {Role of {Water} and {Phase} in the {Heterogeneous} {Oxidation} of {Solid} and {Aqueous} {Succinic} {Acid} {Aerosol} by {Hydroxyl} {Radicals}},\n\tvolume = {118},\n\tissn = {1932-7447, 1932-7455},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/jp5012022},\n\tdoi = {10.1021/jp5012022},\n\tlanguage = {en},\n\tnumber = {50},\n\turldate = {2016-01-28},\n\tjournal = {The Journal of Physical Chemistry C},\n\tauthor = {Chan, Man Nin and Zhang, Haofei and Goldstein, Allen H. and Wilson, Kevin R.},\n\tmonth = dec,\n\tyear = {2014},\n\tpages = {28978--28992},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Chapter 2. Direct Analysis in Real Time.\n \n \n \n \n\n\n \n Cody, R. B.; and Dane, A. J.\n\n\n \n\n\n\n In Domin, M.; and Cody, R., editor(s), New Developments in Mass Spectrometry, pages 23–57. Royal Society of Chemistry, Cambridge, 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ChapterPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{cody_chapter_2014,\n\taddress = {Cambridge},\n\ttitle = {Chapter 2. {Direct} {Analysis} in {Real} {Time}},\n\tisbn = {978-1-84973-926-9},\n\tshorttitle = {Chapter 2. {Direct} {Analysis} in {Real} {Time} ({DART}\\&lt;sup xmlns="http},\n\turl = {http://ebook.rsc.org/?DOI=10.1039/9781782628026-00023},\n\tabstract = {DART was developed in late 2002 and early 2003 and was introduced in 2005 as the first commercially available ambient ionization source. DART can be classified as a plasma-based ambient ionization source: it is a form of atmospheric-pressure chemical ionization where the initial ion formation step is Penning ionization of the analyte and/or atmospheric gases. An extraordinarily broad range of applications have been reported ranging from forensics to natural products, material characterization, pharmaceutical analysis, art conservation, food and beverage analysis, environmental investigations and consumer product safety.},\n\turldate = {2016-01-28},\n\tbooktitle = {New {Developments} in {Mass} {Spectrometry}},\n\tpublisher = {Royal Society of Chemistry},\n\tauthor = {Cody, Robert B. and Dane, A. John},\n\teditor = {Domin, Marek and Cody, Robert},\n\tyear = {2014},\n\tpages = {23--57},\n}\n\n\n\n
\n
\n\n\n
\n DART was developed in late 2002 and early 2003 and was introduced in 2005 as the first commercially available ambient ionization source. DART can be classified as a plasma-based ambient ionization source: it is a form of atmospheric-pressure chemical ionization where the initial ion formation step is Penning ionization of the analyte and/or atmospheric gases. An extraordinarily broad range of applications have been reported ranging from forensics to natural products, material characterization, pharmaceutical analysis, art conservation, food and beverage analysis, environmental investigations and consumer product safety.\n
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\n \n\n \n \n \n \n \n \n Chapter 3. Ionization Mechanisms of Direct Analysis in Real Time (DART).\n \n \n \n \n\n\n \n Song, L.; and Bartmess, J. E.\n\n\n \n\n\n\n In Domin, M.; and Cody, R., editor(s), New Developments in Mass Spectrometry, pages 58–103. Royal Society of Chemistry, Cambridge, 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ChapterPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{song_chapter_2014,\n\taddress = {Cambridge},\n\ttitle = {Chapter 3. {Ionization} {Mechanisms} of {Direct} {Analysis} in {Real} {Time} ({DART})},\n\tisbn = {978-1-84973-926-9},\n\turl = {http://ebook.rsc.org/?DOI=10.1039/9781782628026-00058},\n\tabstract = {The ion and neutral chemistry that occurs in the DART source, starting with the DART gas metastables, to the range of analyte ions produced, is examined, in order to be able to predict the outcome of analysis for a variety of compounds. Both positive and negative modes, and various DART gases (He, Ar, and N2) are discussed.},\n\turldate = {2016-01-28},\n\tbooktitle = {New {Developments} in {Mass} {Spectrometry}},\n\tpublisher = {Royal Society of Chemistry},\n\tauthor = {Song, Liguo and Bartmess, John E.},\n\teditor = {Domin, Marek and Cody, Robert},\n\tyear = {2014},\n\tpages = {58--103},\n}\n\n\n\n
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\n\n\n
\n The ion and neutral chemistry that occurs in the DART source, starting with the DART gas metastables, to the range of analyte ions produced, is examined, in order to be able to predict the outcome of analysis for a variety of compounds. Both positive and negative modes, and various DART gases (He, Ar, and N2) are discussed.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of traditional Chinese herbal medicine by direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Wang, Y.; Li, C.; Huang, L.; Liu, L.; Guo, Y.; Ma, L.; and Liu, S.\n\n\n \n\n\n\n Analytica Chimica Acta, 845: 70–76. October 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_rapid_2014,\n\ttitle = {Rapid identification of traditional {Chinese} herbal medicine by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {845},\n\tissn = {00032670},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0003267014007272},\n\tdoi = {10.1016/j.aca.2014.06.014},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Wang, Yang and Li, Chunmei and Huang, Liang and Liu, Li and Guo, Yunlong and Ma, Li and Liu, Shuying},\n\tmonth = oct,\n\tyear = {2014},\n\tpages = {70--76},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Analytical strategies for controlling polysorbate-based nanomicelles in fruit juice.\n \n \n \n \n\n\n \n Krtkova, V.; Schulzova, V.; Lacina, O.; Hrbek, V.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 406(16): 3909–3918. June 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AnalyticalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{krtkova_analytical_2014,\n\ttitle = {Analytical strategies for controlling polysorbate-based nanomicelles in fruit juice},\n\tvolume = {406},\n\tissn = {1618-2642, 1618-2650},\n\turl = {http://link.springer.com/10.1007/s00216-014-7823-7},\n\tdoi = {10.1007/s00216-014-7823-7},\n\tlanguage = {en},\n\tnumber = {16},\n\turldate = {2016-01-28},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Krtkova, Veronika and Schulzova, Vera and Lacina, Ondrej and Hrbek, Vojtech and Tomaniova, Monika and Hajslova, Jana},\n\tmonth = jun,\n\tyear = {2014},\n\tpages = {3909--3918},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid Quantification of Highly Polar Trimethyl Phosphate in Wastewater via Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, X.; Liu, J.; Liu, C. C.; Zhang, J.; Shao, B.; Liu, L.; and Zhang, N.\n\n\n \n\n\n\n Journal of Chromatography A, (0). 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wang_rapid_2014,\n\ttitle = {Rapid {Quantification} of {Highly} {Polar} {Trimethyl} {Phosphate} in {Wastewater} via {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S002196731400171X},\n\tdoi = {10.1016/j.chroma.2014.01.076},\n\tnumber = {0},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Wang, Xiaowei and Liu, Jingfu and Liu, Charles C. and Zhang, Jing and Shao, Bing and Liu, Liping and Zhang, Nina},\n\tyear = {2014},\n\tkeywords = {Direct analysis real-time tandem mass spectrometry, Environmental water, Organophosphours flame retardant, Trimethyl phosphate},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Desorption atmospheric pressure photoionization and direct analysis in real time coupled with travelling wave ion mobility mass spectrometry: DAPPI/DART-TWIM-MS.\n \n \n \n \n\n\n \n Räsänen, R.; Dwivedi, P.; Fernández, F. M.; and Kauppila, T. J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 28(21): 2325–2336. November 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DesorptionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{rasanen_desorption_2014,\n\ttitle = {Desorption atmospheric pressure photoionization and direct analysis in real time coupled with travelling wave ion mobility mass spectrometry: {DAPPI}/{DART}-{TWIM}-{MS}},\n\tvolume = {28},\n\tissn = {09514198},\n\tshorttitle = {Desorption atmospheric pressure photoionization and direct analysis in real time coupled with travelling wave ion mobility mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7028},\n\tdoi = {10.1002/rcm.7028},\n\tabstract = {RATIONALE Ambient mass spectrometry (MS) is a tool for screening analytes directly from sample surfaces. However, background impurities may complicate the spectra and therefore fast separation techniques are needed. Here, we demonstrate the use of travelling wave ion mobility spectrometry in a comparative study of two ambient MS techniques. METHODS Desorption atmospheric pressure photoionization (DAPPI) and direct analysis in real time (DART) were coupled with travelling wave ion mobility mass spectrometry (TWIM-MS) for highly selective surface analysis. The ionization efficiencies of DAPPI and DART were compared. Test compounds were: bisphenol A, benzo[a]pyrene, ranitidine, cortisol and α-tocopherol. DAPPI-MS and DART-TWIM-MS were also applied to the analysis of chloroquine from dried blood spots, and α-tocopherol from almond surface, and DAPPI-TWIM-MS was applied to analysis of pharmaceuticals and multivitamin tablets. RESULTS DAPPI was approximately 100 times more sensitive than DART for bisphenol A and 10-20 times more sensitive for the other compounds. The limits of detection were between 30-290 and 330-8200 fmol for DAPPI and DART, respectively. Also, from the authentic samples, DAPPI ionized chloroquine and α-tocopherol more efficiently than DART. The mobility separation enabled the detection of species with low signal intensities, e.g. thiamine and cholecalciferol, in the DAPPI-TWIM-MS analysis of multivitamin tablets. CONCLUSIONS DAPPI ionized the studied compounds of interest more efficiently than DART. For both DAPPI and DART, the mobility separation prior to MS analysis reduced the amount of chemical noise in the mass spectrum and significantly increased the signal-to-noise ratio for the analytes.},\n\tlanguage = {en},\n\tnumber = {21},\n\turldate = {2016-01-28},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Räsänen, Riikka-Marjaana and Dwivedi, Prabha and Fernández, Facundo M. and Kauppila, Tiina J.},\n\tmonth = nov,\n\tyear = {2014},\n\tpages = {2325--2336},\n}\n\n\n\n
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\n RATIONALE Ambient mass spectrometry (MS) is a tool for screening analytes directly from sample surfaces. However, background impurities may complicate the spectra and therefore fast separation techniques are needed. Here, we demonstrate the use of travelling wave ion mobility spectrometry in a comparative study of two ambient MS techniques. METHODS Desorption atmospheric pressure photoionization (DAPPI) and direct analysis in real time (DART) were coupled with travelling wave ion mobility mass spectrometry (TWIM-MS) for highly selective surface analysis. The ionization efficiencies of DAPPI and DART were compared. Test compounds were: bisphenol A, benzo[a]pyrene, ranitidine, cortisol and α-tocopherol. DAPPI-MS and DART-TWIM-MS were also applied to the analysis of chloroquine from dried blood spots, and α-tocopherol from almond surface, and DAPPI-TWIM-MS was applied to analysis of pharmaceuticals and multivitamin tablets. RESULTS DAPPI was approximately 100 times more sensitive than DART for bisphenol A and 10-20 times more sensitive for the other compounds. The limits of detection were between 30-290 and 330-8200 fmol for DAPPI and DART, respectively. Also, from the authentic samples, DAPPI ionized chloroquine and α-tocopherol more efficiently than DART. The mobility separation enabled the detection of species with low signal intensities, e.g. thiamine and cholecalciferol, in the DAPPI-TWIM-MS analysis of multivitamin tablets. CONCLUSIONS DAPPI ionized the studied compounds of interest more efficiently than DART. For both DAPPI and DART, the mobility separation prior to MS analysis reduced the amount of chemical noise in the mass spectrum and significantly increased the signal-to-noise ratio for the analytes.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry for rapid screening and quantitative determination of cholesterol in egg pasta: Determination of cholesterol in egg pasta.\n \n \n \n \n\n\n \n Al-Balaa, D.; Rajchl, A.; Grégrová, A.; Ševčík, R.; and Čížková, H.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 49(9): 911–917. September 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{al-balaa_dart_2014,\n\ttitle = {{DART} mass spectrometry for rapid screening and quantitative determination of cholesterol in egg pasta: {Determination} of cholesterol in egg pasta},\n\tvolume = {49},\n\tissn = {10765174},\n\tshorttitle = {{DART} mass spectrometry for rapid screening and quantitative determination of cholesterol in egg pasta},\n\turl = {http://doi.wiley.com/10.1002/jms.3465},\n\tdoi = {10.1002/jms.3465},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Al-Balaa, Dania and Rajchl, Aleš and Grégrová, Adéla and Ševčík, Rudolf and Čížková, Helena},\n\tmonth = sep,\n\tyear = {2014},\n\tpages = {911--917},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Determination of the aflatoxin AFB1 from corn by direct analysis in real time – mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Busman, M.; Liu, J.; Zhong, H.; Bobell, J. R.; and Maragos, C. M.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A,null–null. March 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{busman_determination_2014,\n\ttitle = {Determination of the aflatoxin {AFB1} from corn by direct analysis in real time – mass spectrometry ({DART}-{MS})},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2014.900572},\n\tdoi = {10.1080/19440049.2014.900572},\n\tabstract = {Abstract Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for screening of aflatoxins from a variety of surfaces and the rapid quantitative analysis of a common form of aflatoxin, AFB1, extracted from corn. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of aflatoxin AFB1. 84:16 acetonitrile water extracts of corn were analyzed by DART-MS. The lowest calibration level (LCL) for aflatoxin AFB1 was 4 ?g/kg. Quantitative analysis was performed with the use of matrix-matched standards employing the 13C-labeled internal standard for AFB1. DART-MS of spiked corn extracts gave linear response of the range 4?1000 ?g/kg. Good recoveries (94?110\\%) and repeatabilities (RSD 0.7?6.9\\%) were obtained at spiking levels of 20 and 100 ?g/kg with use of an isotope dilution technique. Trueness of data obtained for AFB1 in maize by DART-MS was demonstrated by analysis of corn certified reference materials.},\n\turldate = {2014-03-11},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Busman, Mark and Liu, Jihong and Zhong, Hongjian and Bobell, John R. and Maragos, Chris M.},\n\tmonth = mar,\n\tyear = {2014},\n\tpages = {null--null},\n}\n\n\n\n
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\n Abstract Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for screening of aflatoxins from a variety of surfaces and the rapid quantitative analysis of a common form of aflatoxin, AFB1, extracted from corn. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of aflatoxin AFB1. 84:16 acetonitrile water extracts of corn were analyzed by DART-MS. The lowest calibration level (LCL) for aflatoxin AFB1 was 4 ?g/kg. Quantitative analysis was performed with the use of matrix-matched standards employing the 13C-labeled internal standard for AFB1. DART-MS of spiked corn extracts gave linear response of the range 4?1000 ?g/kg. Good recoveries (94?110%) and repeatabilities (RSD 0.7?6.9%) were obtained at spiking levels of 20 and 100 ?g/kg with use of an isotope dilution technique. Trueness of data obtained for AFB1 in maize by DART-MS was demonstrated by analysis of corn certified reference materials.\n
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\n \n\n \n \n \n \n \n \n Combined multivariate data analysis of high-performance thin-layer chromatography fingerprints and direct analysis in real time mass spectra for profiling of natural products like propolis.\n \n \n \n \n\n\n \n Morlock, G. E.; Ristivojevic, P.; and Chernetsova, E. S.\n\n\n \n\n\n\n Journal of Chromatography A, 1328: 104–112. February 2014.\n \n\n\n\n
\n\n\n\n \n \n \"CombinedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{morlock_combined_2014,\n\ttitle = {Combined multivariate data analysis of high-performance thin-layer chromatography fingerprints and direct analysis in real time mass spectra for profiling of natural products like propolis},\n\tvolume = {1328},\n\tissn = {00219673},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0021967313019341},\n\tdoi = {10.1016/j.chroma.2013.12.053},\n\tabstract = {Sophisticated statistical tools are required to extract the full analytical power from high-performance thin-layer chromatography (HPTLC). Especially, the combination of HPTLC fingerprints (image) with chemometrics is rarely used so far. Also, the newly developed, instantaneous direct analysis in real time mass spectrometry (DART-MS) method is perspective for sample characterization and differentiation by multivariate data analysis. This is a first novel study on the differentiation of natural products using a combination of fast fingerprint techniques, like HPTLC and DART-MS, for multivariate data analysis. The results obtained by the chemometric evaluation of HPTLC and DART-MS data provided complementary information. The complexity, expense, and analysis time were significantly reduced due to the use of statistical tools for evaluation of fingerprints. The approach allowed categorizing 91 propolis samples from Germany and other locations based on their phenolic compound profile. A high level of confidence was obtained when combining orthogonal approaches (HPTLC and DART-MS) for ultrafast sample characterization. HPTLC with selective post-chromatographic derivatization provided information on polarity, functional groups and spectral properties of marker compounds, while information on possible elemental formulae of principal components (phenolic markers) was obtained by DART-MS.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Morlock, Gertrud E. and Ristivojevic, Petar and Chernetsova, Elena S.},\n\tmonth = feb,\n\tyear = {2014},\n\tkeywords = {DART-MS, Fingerprint, High-performance thin-layer chromatography, Pattern recognition, Planar chromatography, Propolis},\n\tpages = {104--112},\n}\n\n\n\n
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\n Sophisticated statistical tools are required to extract the full analytical power from high-performance thin-layer chromatography (HPTLC). Especially, the combination of HPTLC fingerprints (image) with chemometrics is rarely used so far. Also, the newly developed, instantaneous direct analysis in real time mass spectrometry (DART-MS) method is perspective for sample characterization and differentiation by multivariate data analysis. This is a first novel study on the differentiation of natural products using a combination of fast fingerprint techniques, like HPTLC and DART-MS, for multivariate data analysis. The results obtained by the chemometric evaluation of HPTLC and DART-MS data provided complementary information. The complexity, expense, and analysis time were significantly reduced due to the use of statistical tools for evaluation of fingerprints. The approach allowed categorizing 91 propolis samples from Germany and other locations based on their phenolic compound profile. A high level of confidence was obtained when combining orthogonal approaches (HPTLC and DART-MS) for ultrafast sample characterization. HPTLC with selective post-chromatographic derivatization provided information on polarity, functional groups and spectral properties of marker compounds, while information on possible elemental formulae of principal components (phenolic markers) was obtained by DART-MS.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry, a process analytical technology tool for real-time process monitoring in botanical drug manufacturing.\n \n \n \n \n\n\n \n Wang, L.; Zeng, S.; Chen, T.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, (0). 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wang_direct_2014,\n\ttitle = {Direct analysis in real time mass spectrometry, a process analytical technology tool for real-time process monitoring in botanical drug manufacturing},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708513006195},\n\tdoi = {10.1016/j.jpba.2013.12.034},\n\tabstract = {Abstract\nA promising process analytical technology (PAT) tool has been introduced for batch processes monitoring. Direct analysis in real time mass spectrometry (DART-MS), a means of rapid fingerprint analysis, was applied to a percolation process with multi-constituent substances for an anti-cancer botanical preparation. Fifteen batches were carried out, including ten normal operations and five abnormal batches with artificial variations. The obtained multivariate data were analyzed by a multi-way partial least squares (MPLS) model. Control trajectories were derived from eight normal batches, and the qualification was tested by R2 and Q2. Accuracy and diagnosis capability of the batch model were then validated by the remaining batches. Assisted with high performance liquid chromatography (HPLC) determination, process faults were explained by corresponding variable contributions. Furthermore, a batch level model was developed to compare and assess the model performance. The present study has demonstrated that DART-MS is very promising in process monitoring in botanical manufacturing. Compared with general PAT tools, DART-MS offers a particular account on effective compositions and can be potentially used to improve batch quality and process consistency of samples in complex matrices},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Wang, Lu and Zeng, Shanshan and Chen, Teng and Qu, Haibin},\n\tyear = {2014},\n\tkeywords = {Batch processes control, Botanical drugs, Direct analysis in real time mass spectrometry, Multivariate batch analysis, Percolation process},\n}\n\n\n\n
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\n Abstract A promising process analytical technology (PAT) tool has been introduced for batch processes monitoring. Direct analysis in real time mass spectrometry (DART-MS), a means of rapid fingerprint analysis, was applied to a percolation process with multi-constituent substances for an anti-cancer botanical preparation. Fifteen batches were carried out, including ten normal operations and five abnormal batches with artificial variations. The obtained multivariate data were analyzed by a multi-way partial least squares (MPLS) model. Control trajectories were derived from eight normal batches, and the qualification was tested by R2 and Q2. Accuracy and diagnosis capability of the batch model were then validated by the remaining batches. Assisted with high performance liquid chromatography (HPLC) determination, process faults were explained by corresponding variable contributions. Furthermore, a batch level model was developed to compare and assess the model performance. The present study has demonstrated that DART-MS is very promising in process monitoring in botanical manufacturing. Compared with general PAT tools, DART-MS offers a particular account on effective compositions and can be potentially used to improve batch quality and process consistency of samples in complex matrices\n
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\n \n\n \n \n \n \n \n Letter: Characterization of volatile and semi-volatile compounds in green and fermented leaves of Bergenia crassifolia L. by GC-MS and ID-CUBE DART-HRMS.\n \n \n \n\n\n \n Chernetsova, E.; Shikov, A.; Crawford, E.; Grashorn, S.; Laakso, I.; Pozharitskaya, O.; Makarov, V.; Hiltunen, R.; Galambosi, B.; and Morlock, G.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 20: 0–0. 2014.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{chernetsova_letter:_2014,\n\ttitle = {Letter: {Characterization} of volatile and semi-volatile compounds in green and fermented leaves of {Bergenia} crassifolia {L}. by {GC}-{MS} and {ID}-{CUBE} {DART}-{HRMS}},\n\tvolume = {20},\n\tissn = {1469-0667},\n\tdoi = {http://dx.doi.org/10.1255/ejms.1252},\n\tabstract = {Chemical compositions of volatile and semi-volatile components in green and fermented leaves of Bergenia crassifolia L. were studied. Leaf components were identified using gas chromatography with low resolution mass spectrometry and direct analysis in real time (DART) high resolution mass spectrometry with an ID-CUBE ion source. Phytol, nerolidol, geraniol, linalool, α-bisabolol, α-bisabololoxide B, α-cadinol, δ-cadinene, α-terpineol, and several other marker compounds of special interest were defined, for which the process of fermentation significantly changed their content in the leaves. Low resolution EI GC-MS and ID-CUBE DART-HRMS were found to be complementary methods, as they provide different information, helpful to increase the confidence of identification.},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Chernetsova, E. and Shikov, A. and Crawford, E. and Grashorn, S. and Laakso, I. and Pozharitskaya, O. and Makarov, V. and Hiltunen, R. and Galambosi, B. and Morlock, G.},\n\tyear = {2014},\n\tpages = {0--0},\n}\n\n\n\n
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\n Chemical compositions of volatile and semi-volatile components in green and fermented leaves of Bergenia crassifolia L. were studied. Leaf components were identified using gas chromatography with low resolution mass spectrometry and direct analysis in real time (DART) high resolution mass spectrometry with an ID-CUBE ion source. Phytol, nerolidol, geraniol, linalool, α-bisabolol, α-bisabololoxide B, α-cadinol, δ-cadinene, α-terpineol, and several other marker compounds of special interest were defined, for which the process of fermentation significantly changed their content in the leaves. Low resolution EI GC-MS and ID-CUBE DART-HRMS were found to be complementary methods, as they provide different information, helpful to increase the confidence of identification.\n
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\n \n\n \n \n \n \n \n \n Distinguishing wild from cultivated agarwood (Aquilaria spp.) using direct analysis in real time and time of-flight mass spectrometry.\n \n \n \n \n\n\n \n Espinoza, E. O.; Lancaster, C. A.; Kreitals, N. M.; Hata, M.; Cody, R. B.; and Blanchette, R. A.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 28(3): 281–289. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DistinguishingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{espinoza_distinguishing_2014,\n\ttitle = {Distinguishing wild from cultivated agarwood ({Aquilaria} spp.) using direct analysis in real time and time of-flight mass spectrometry},\n\tvolume = {28},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6779},\n\tdoi = {10.1002/rcm.6779},\n\tabstract = {RATIONALE\n\nIt is important for the enforcement of the CITES treaty to determine whether agarwood (a resinous wood produced in Aquilaria and Gyrinops species) seen in trade is from a plantation that was cultivated for sustainable production or was harvested from natural forests which is usually done illegally.\n\nMETHODS\n\nWe analyzed wood directly using Direct Analysis in Real Time (DART™) ionization coupled with Time-of-Flight Mass Spectrometry (TOFMS). Agarwood was obtained from five countries, and the collection contained over 150 samples. The spectra contained ions from agarwood-specific 5,6,7,8-tetrahydro-2-(2-phenylethyl)chromones as well as many other ions. The data was analyzed using either kernel discriminant analysis or kernel principal component analysis. Probability estimates of origin (wild vs cultivated) were assigned to unknown agarwood samples.\n\nRESULTS\n\nAnalysis of the DART-TOFMS data shows that many of the chromones found in cultivated and wild agarwood samples are similar; however, there is a significant difference in particular chromones that can be used for differentiation. In certain instances, the analysis of these chromones also allows inferences to be made as to the country of origin. Mass Mountaineer™ software provides an estimate of the accuracy of the discriminate model, and an unknown sample can be classified as cultivated or wild. Eleven of the thirteen validation samples (85\\%) were correctly assigned to either cultivated or wild harvested for their respective geographic provenance. The accuracy of each classification can be estimated by probabilities based on Z scores.\n\nCONCLUSIONS\n\nThe direct analysis of wood for the diagnostic chromones using DART-TOFMS followed by discriminant analysis is sufficiently robust to differentiate wild from cultivated agarwood and provides strong inference for the origin of the agarwood. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Espinoza, Edgard O. and Lancaster, Cady A. and Kreitals, Natasha M. and Hata, Masataka and Cody, Robert B. and Blanchette, Robert A.},\n\tyear = {2014},\n\tpages = {281--289},\n}\n\n\n\n
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\n RATIONALE It is important for the enforcement of the CITES treaty to determine whether agarwood (a resinous wood produced in Aquilaria and Gyrinops species) seen in trade is from a plantation that was cultivated for sustainable production or was harvested from natural forests which is usually done illegally. METHODS We analyzed wood directly using Direct Analysis in Real Time (DART™) ionization coupled with Time-of-Flight Mass Spectrometry (TOFMS). Agarwood was obtained from five countries, and the collection contained over 150 samples. The spectra contained ions from agarwood-specific 5,6,7,8-tetrahydro-2-(2-phenylethyl)chromones as well as many other ions. The data was analyzed using either kernel discriminant analysis or kernel principal component analysis. Probability estimates of origin (wild vs cultivated) were assigned to unknown agarwood samples. RESULTS Analysis of the DART-TOFMS data shows that many of the chromones found in cultivated and wild agarwood samples are similar; however, there is a significant difference in particular chromones that can be used for differentiation. In certain instances, the analysis of these chromones also allows inferences to be made as to the country of origin. Mass Mountaineer™ software provides an estimate of the accuracy of the discriminate model, and an unknown sample can be classified as cultivated or wild. Eleven of the thirteen validation samples (85%) were correctly assigned to either cultivated or wild harvested for their respective geographic provenance. The accuracy of each classification can be estimated by probabilities based on Z scores. CONCLUSIONS The direct analysis of wood for the diagnostic chromones using DART-TOFMS followed by discriminant analysis is sufficiently robust to differentiate wild from cultivated agarwood and provides strong inference for the origin of the agarwood. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Chapter 1. An Introduction to Ambient Ionization Mass Spectrometry.\n \n \n \n \n\n\n \n Monge, M. E.; and Fernández, F. M.\n\n\n \n\n\n\n In Domin, M.; and Cody, R., editor(s), New Developments in Mass Spectrometry, pages 1–22. Royal Society of Chemistry, Cambridge, 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ChapterPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@incollection{monge_chapter_2014,\n\taddress = {Cambridge},\n\ttitle = {Chapter 1. {An} {Introduction} to {Ambient} {Ionization} {Mass} {Spectrometry}},\n\tisbn = {978-1-84973-926-9},\n\turl = {http://ebook.rsc.org/?DOI=10.1039/9781782628026-00001},\n\tabstract = {Ambient ionization/sampling mass spectrometry (or “ambient mass spectrometry” for short) is a subdiscipline of mass spectrometry that enables direct, high-throughput, surface analysis of native samples. Two flagship ambient mass spectrometry techniques: direct analysis in real time (DART) and desorption electrospray ionization (DESI) have not only enabled experiments previously not possible, but have also been surrounded by a plethora of other techniques, each with their own advantages and specific applications. This chapter introduces the kind of experiments that are the cornerstone of ambient mass spectrometry, and provides a set of select examples to introduce the reader new to the area to the field.},\n\turldate = {2016-01-28},\n\tbooktitle = {New {Developments} in {Mass} {Spectrometry}},\n\tpublisher = {Royal Society of Chemistry},\n\tauthor = {Monge, María Eugenia and Fernández, Facundo M.},\n\teditor = {Domin, Marek and Cody, Robert},\n\tyear = {2014},\n\tpages = {1--22},\n}\n\n\n\n
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\n Ambient ionization/sampling mass spectrometry (or “ambient mass spectrometry” for short) is a subdiscipline of mass spectrometry that enables direct, high-throughput, surface analysis of native samples. Two flagship ambient mass spectrometry techniques: direct analysis in real time (DART) and desorption electrospray ionization (DESI) have not only enabled experiments previously not possible, but have also been surrounded by a plethora of other techniques, each with their own advantages and specific applications. This chapter introduces the kind of experiments that are the cornerstone of ambient mass spectrometry, and provides a set of select examples to introduce the reader new to the area to the field.\n
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\n \n\n \n \n \n \n \n \n Rapid analysis of Δ-9-tetrahydrocannabinol in hair using direct analysis in real time ambient ionization orbitrap mass spectrometry.\n \n \n \n \n\n\n \n Duvivier, W. F.; van Beek, T. A.; Pennings, E. J. M.; and Nielen, M. W. F.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 28(7): 682–690. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{duvivier_rapid_2014,\n\ttitle = {Rapid analysis of Δ-9-tetrahydrocannabinol in hair using direct analysis in real time ambient ionization orbitrap mass spectrometry},\n\tvolume = {28},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6831},\n\tdoi = {10.1002/rcm.6831},\n\tabstract = {RATIONALE\n\nForensic hair analysis methods are laborious, time-consuming and provide only a rough retrospective estimate of the time of drug intake. Recently, hair imaging methods using matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) were reported, but these methods require the application of MALDI matrix and are performed under vacuum. Direct analysis of entire locks of hair without any sample pretreatment and with improved spatial resolution would thus address a need.\n\nMETHODS\n\nHair samples were attached to stainless steel mesh screens and scanned in the X-direction using direct analysis in real time (DART) ambient ionization orbitrap MS. The DART gas temperature and the accuracy of the probed hair zone were optimized using Δ-9-tetrahydrocannabinol (THC) as a model compound. Since external contamination is a major issue in forensic hair analysis, sub-samples were measured before and after dichloromethane decontamination.\n\nRESULTS\n\nThe relative intensity of the THC signal in spiked blank hair versus that of quinine as the internal standard showed good reproducibility (26\\% RSD) and linearity of the method (R2 = 0.991). With the DART hair scan THC could be detected in hair samples from different chronic cannabis users. The presence of THC was confirmed by quantitative liquid chromatography/tandem mass spectrometry. Zones with different THC content could be clearly distinguished, indicating that the method might be used for retrospective timeline assessments. Detection of THC in decontaminated drug user hair showed that the DART hair scan not only probes THC on the surface of hair, but penetrates deeply enough to measure incorporated THC.\n\nCONCLUSIONS\n\nA new approach in forensic hair analysis has been developed by probing complete locks of hair using DART-MS. Longitudinal scanning enables detection of incorporated compounds and can be used as pre-screening for THC without sample preparation. The method could also be adjusted for the analysis of other drugs of abuse. Copyright © 2014 John Wiley \\& Sons, Ltd.},\n\tnumber = {7},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Duvivier, Wilco F. and van Beek, Teris A. and Pennings, Ed J. M. and Nielen, Michel W. F.},\n\tyear = {2014},\n\tpages = {682--690},\n}\n\n\n\n
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\n RATIONALE Forensic hair analysis methods are laborious, time-consuming and provide only a rough retrospective estimate of the time of drug intake. Recently, hair imaging methods using matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) were reported, but these methods require the application of MALDI matrix and are performed under vacuum. Direct analysis of entire locks of hair without any sample pretreatment and with improved spatial resolution would thus address a need. METHODS Hair samples were attached to stainless steel mesh screens and scanned in the X-direction using direct analysis in real time (DART) ambient ionization orbitrap MS. The DART gas temperature and the accuracy of the probed hair zone were optimized using Δ-9-tetrahydrocannabinol (THC) as a model compound. Since external contamination is a major issue in forensic hair analysis, sub-samples were measured before and after dichloromethane decontamination. RESULTS The relative intensity of the THC signal in spiked blank hair versus that of quinine as the internal standard showed good reproducibility (26% RSD) and linearity of the method (R2 = 0.991). With the DART hair scan THC could be detected in hair samples from different chronic cannabis users. The presence of THC was confirmed by quantitative liquid chromatography/tandem mass spectrometry. Zones with different THC content could be clearly distinguished, indicating that the method might be used for retrospective timeline assessments. Detection of THC in decontaminated drug user hair showed that the DART hair scan not only probes THC on the surface of hair, but penetrates deeply enough to measure incorporated THC. CONCLUSIONS A new approach in forensic hair analysis has been developed by probing complete locks of hair using DART-MS. Longitudinal scanning enables detection of incorporated compounds and can be used as pre-screening for THC without sample preparation. The method could also be adjusted for the analysis of other drugs of abuse. Copyright © 2014 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Characterization of mustard seeds and paste by DART ionization with time-of-flight mass spectrometry: Mustard-DART-MS.\n \n \n \n \n\n\n \n Prchalová, J.; Kovařík, F.; Ševčík, R.; Čížková, H.; and Rajchl, A.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 49(9): 811–818. September 2014.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{prchalova_characterization_2014,\n\ttitle = {Characterization of mustard seeds and paste by {DART} ionization with time-of-flight mass spectrometry: {Mustard}-{DART}-{MS}},\n\tvolume = {49},\n\tissn = {10765174},\n\tshorttitle = {Characterization of mustard seeds and paste by {DART} ionization with time-of-flight mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/jms.3419},\n\tdoi = {10.1002/jms.3419},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Prchalová, Jana and Kovařík, František and Ševčík, Rudolf and Čížková, Helena and Rajchl, Aleš},\n\tmonth = sep,\n\tyear = {2014},\n\tpages = {811--818},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n On-line coupling of macroporous resin column chromatography with direct analysis in real time mass spectrometry utilizing a surface flowing mode sample holder.\n \n \n \n \n\n\n \n Zeng, S.; Wang, L.; Chen, T.; and Qu, H.\n\n\n \n\n\n\n Analytica Chimica Acta, 811: 43–50. February 2014.\n \n\n\n\n
\n\n\n\n \n \n \"On-linePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zeng_-line_2014,\n\ttitle = {On-line coupling of macroporous resin column chromatography with direct analysis in real time mass spectrometry utilizing a surface flowing mode sample holder},\n\tvolume = {811},\n\tissn = {00032670},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0003267013015286},\n\tdoi = {10.1016/j.aca.2013.12.014},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zeng, Shanshan and Wang, Lu and Chen, Teng and Qu, Haibin},\n\tmonth = feb,\n\tyear = {2014},\n\tkeywords = {Direct analysis in real time mass spectrometry, Macroporous resin column chromatography, On-line monitoring, Panax notoginseng, Surface flowing mode sample holder},\n\tpages = {43--50},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Pharmaceutical Identifier Confirmation via DART-TOF.\n \n \n \n \n\n\n \n Easter, J. L.; and Steiner, R. R.\n\n\n \n\n\n\n Forensic science international. April 2014.\n \n\n\n\n
\n\n\n\n \n \n \"PharmaceuticalPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{easter_pharmaceutical_2014,\n\ttitle = {Pharmaceutical {Identifier} {Confirmation} via {DART}-{TOF}},\n\tissn = {0379-0738},\n\turl = {http://dx.doi.org/10.1016/j.forsciint.2014.03.009},\n\tabstract = {•The DART-TOF is suitable as a SWGDRUG Category A technique for the analysis of pharmaceuticals.•This was successfully demonstrated with of the 100\\% correct identity confirmation of all 387 pharmaceuticals.•Drugs with identical masses were differentiated using box plots, PCA, and LDA from their spectral data.•The data produced by the DART-TOF instrument was shown to be reproducible using box plots and error bar plots. Pharmaceutical analysis comprises a large amount of the casework in forensic controlled substances laboratories. In order to reduce the time of analysis for pharmaceuticals, a Direct Analysis in Real Time ion source coupled with an accurate mass Time-of-Flight (DART-TOF) mass spectrometer was used to confirm identity. DART-TOF spectral data for pharmaceutical samples were analyzed and evaluated by comparison to standard spectra. Identical mass pharmaceuticals were differentiated using collision induced dissociation fragmentation, present/absent ions, and abundance comparison box plots; Principal Component Analysis (PCA) and Linear Discriminant Analysis (LDA) were used for differentiation of identical mass mixed drug spectra. Mass assignment reproducibility and robustness tests were performed on the DART-TOF spectra. Impacts on the forensic science community include a decrease in analysis time over the traditional gas chromatograph/mass spectrometry (GCMS) confirmations, better laboratory efficiency, and simpler sample preparation. Using physical identifiers and the DART-TOF to confirm pharmaceutical identity will eliminate the use of GCMS and effectively reduce analysis time while still complying with accepted analysis protocols. This will prove helpful in laboratories with large backlogs and will simplify the confirmation process.},\n\tjournal = {Forensic science international},\n\tauthor = {Easter, Jacob L. and Steiner, Robert R.},\n\tmonth = apr,\n\tyear = {2014},\n\tkeywords = {DART-TOF, Pharmaceutical, controlled substances, mass spectrometry, principal component analysis (PCA)},\n}\n\n\n\n
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\n •The DART-TOF is suitable as a SWGDRUG Category A technique for the analysis of pharmaceuticals.•This was successfully demonstrated with of the 100% correct identity confirmation of all 387 pharmaceuticals.•Drugs with identical masses were differentiated using box plots, PCA, and LDA from their spectral data.•The data produced by the DART-TOF instrument was shown to be reproducible using box plots and error bar plots. Pharmaceutical analysis comprises a large amount of the casework in forensic controlled substances laboratories. In order to reduce the time of analysis for pharmaceuticals, a Direct Analysis in Real Time ion source coupled with an accurate mass Time-of-Flight (DART-TOF) mass spectrometer was used to confirm identity. DART-TOF spectral data for pharmaceutical samples were analyzed and evaluated by comparison to standard spectra. Identical mass pharmaceuticals were differentiated using collision induced dissociation fragmentation, present/absent ions, and abundance comparison box plots; Principal Component Analysis (PCA) and Linear Discriminant Analysis (LDA) were used for differentiation of identical mass mixed drug spectra. Mass assignment reproducibility and robustness tests were performed on the DART-TOF spectra. Impacts on the forensic science community include a decrease in analysis time over the traditional gas chromatograph/mass spectrometry (GCMS) confirmations, better laboratory efficiency, and simpler sample preparation. Using physical identifiers and the DART-TOF to confirm pharmaceutical identity will eliminate the use of GCMS and effectively reduce analysis time while still complying with accepted analysis protocols. This will prove helpful in laboratories with large backlogs and will simplify the confirmation process.\n
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\n \n\n \n \n \n \n \n \n Food Packaging: Strategies for Rapid Phthalate Screening in Real Time by Ambient Ionization Tandem Mass Spectrometry.\n \n \n \n \n\n\n \n Crawford, E.; Crone, C.; Horner, J.; and Musselman, B.\n\n\n \n\n\n\n In Benvenuto, M. A.; Ahuja, S.; Duncan, T. V.; Noonan, G. O.; Roberts-Kirchhoff, E. S.; and American Chemical Society, editor(s), Chemistry of Food, Food Supplements, and Food Contact Materials: From Production to Plate, volume 1159, pages 71–85. American Chemical Society, Washington, DC, January 2014.\n \n\n\n\n
\n\n\n\n \n \n \"FoodPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{crawford_food_2014,\n\taddress = {Washington, DC},\n\ttitle = {Food {Packaging}: {Strategies} for {Rapid} {Phthalate} {Screening} in {Real} {Time} by {Ambient} {Ionization} {Tandem} {Mass} {Spectrometry}},\n\tvolume = {1159},\n\tisbn = {978-0-8412-2952-5 978-0-8412-2953-2},\n\tshorttitle = {Food {Packaging}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/bk-2014-1159.ch006},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tbooktitle = {Chemistry of {Food}, {Food} {Supplements}, and {Food} {Contact} {Materials}: {From} {Production} to {Plate}},\n\tpublisher = {American Chemical Society},\n\tauthor = {Crawford, Elizabeth and Crone, Catharina and Horner, Julie and Musselman, Brian},\n\teditor = {Benvenuto, Mark A. and Ahuja, Satinder and Duncan, Timothy V. and Noonan, Gregory O. and Roberts-Kirchhoff, Elizabeth S. and {American Chemical Society}},\n\tmonth = jan,\n\tyear = {2014},\n\tpages = {71--85},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n \n Thin-layer chromatography/direct analysis in real time time-of-flight mass spectrometry and isotope dilution to analyze organophosphorus insecticides in fatty foods.\n \n \n \n \n\n\n \n Kiguchi, O.; Oka, K.; Tamada, M.; Kobayashi, T.; and Onodera, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1370: 246–254. November 2014.\n \n\n\n\n
\n\n\n\n \n \n \"Thin-layerPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{kiguchi_thin-layer_2014,\n\ttitle = {Thin-layer chromatography/direct analysis in real time time-of-flight mass spectrometry and isotope dilution to analyze organophosphorus insecticides in fatty foods},\n\tvolume = {1370},\n\tissn = {00219673},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0021967314016094},\n\tdoi = {10.1016/j.chroma.2014.10.037},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Kiguchi, Osamu and Oka, Kazuko and Tamada, Masafumi and Kobayashi, Takashi and Onodera, Jun},\n\tmonth = nov,\n\tyear = {2014},\n\tpages = {246--254},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid detection by direct analysis in real time-mass spectrometry (DART-MS) of psychoactive plant drugs of abuse: The case of Mitragyna speciosa aka “Kratom”.\n \n \n \n \n\n\n \n Lesiak, A. D.; Cody, R. B.; Dane, A. J.; and Musah, R. A.\n\n\n \n\n\n\n Forensic Science International, 242: 210–218. September 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{lesiak_rapid_2014,\n\ttitle = {Rapid detection by direct analysis in real time-mass spectrometry ({DART}-{MS}) of psychoactive plant drugs of abuse: {The} case of {Mitragyna} speciosa aka “{Kratom}”},\n\tvolume = {242},\n\tissn = {03790738},\n\tshorttitle = {Rapid detection by direct analysis in real time-mass spectrometry ({DART}-{MS}) of psychoactive plant drugs of abuse},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073814002898},\n\tdoi = {10.1016/j.forsciint.2014.07.005},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Forensic Science International},\n\tauthor = {Lesiak, Ashton D. and Cody, Robert B. and Dane, A. John and Musah, Rabi A.},\n\tmonth = sep,\n\tyear = {2014},\n\tpages = {210--218},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Chapter 18. Enabling Automated Sample Analysis by Direct Analysis in Real Time (DART) Mass Spectrometry.\n \n \n \n \n\n\n \n Musselman, B.; Tice, J.; and Crawford, E.\n\n\n \n\n\n\n In Domin, M.; and Cody, R., editor(s), New Developments in Mass Spectrometry, pages 445–461. Royal Society of Chemistry, Cambridge, 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ChapterPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@incollection{musselman_chapter_2014,\n\taddress = {Cambridge},\n\ttitle = {Chapter 18. {Enabling} {Automated} {Sample} {Analysis} by {Direct} {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry}},\n\tisbn = {978-1-84973-926-9},\n\turl = {http://ebook.rsc.org/?DOI=10.1039/9781782628026-00445},\n\tabstract = {Accurate chemical measurements are often generated by using complex sampling systems designed to deliver exact volumes of sample to the site of measurement. Sample preparation for analytical mass spectrometry can be labor intensive even when using robotic sample handling devices. Ambient ionization presents a different sampling challenge for analytical chemist since samples can be analyzed in their original form whether it be a solid or a liquid. The dream of “skip the prep go direct” would be fulfilled if it were possible to completely characterize a sample by simply holding it in the ionizing region and collecting the mass spectrum. This work describes our efforts to design and fabricate an easy-to-use, inexpensive sample presentation system for use with our direct analysis in real time (DART) desorption ionization source. The use of sample-specific experimental modules will be presented along with results from pharmaceutical tablet characterization for detection of trace pesticide residues in foodstuffs.},\n\turldate = {2016-01-28},\n\tbooktitle = {New {Developments} in {Mass} {Spectrometry}},\n\tpublisher = {Royal Society of Chemistry},\n\tauthor = {Musselman, Brian and Tice, Joseph and Crawford, Elizabeth},\n\teditor = {Domin, Marek and Cody, Robert},\n\tyear = {2014},\n\tpages = {445--461},\n}\n\n\n\n
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\n Accurate chemical measurements are often generated by using complex sampling systems designed to deliver exact volumes of sample to the site of measurement. Sample preparation for analytical mass spectrometry can be labor intensive even when using robotic sample handling devices. Ambient ionization presents a different sampling challenge for analytical chemist since samples can be analyzed in their original form whether it be a solid or a liquid. The dream of “skip the prep go direct” would be fulfilled if it were possible to completely characterize a sample by simply holding it in the ionizing region and collecting the mass spectrum. This work describes our efforts to design and fabricate an easy-to-use, inexpensive sample presentation system for use with our direct analysis in real time (DART) desorption ionization source. The use of sample-specific experimental modules will be presented along with results from pharmaceutical tablet characterization for detection of trace pesticide residues in foodstuffs.\n
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\n \n\n \n \n \n \n \n \n Ambient Surface Analysis of Organic Monolayers using Direct Analysis in Real Time Orbitrap Mass Spectrometry.\n \n \n \n \n\n\n \n Manova, R. K.; Joshi, S.; Debrassi, A.; Bhairamadgi, N. S.; Roeven, E.; Gagnon, J.; Tahir, M. N.; Claassen, F. W.; Scheres, L. M.; Wennekes, T.; Schroën, K.; van Beek, T. A.; Zuilhof, H.; and Nielen, M. W. F.\n\n\n \n\n\n\n Analytical Chemistry, 86(5): 2403–2411. January 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{manova_ambient_2014,\n\ttitle = {Ambient {Surface} {Analysis} of {Organic} {Monolayers} using {Direct} {Analysis} in {Real} {Time} {Orbitrap} {Mass} {Spectrometry}},\n\tvolume = {86},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac4031626},\n\tdoi = {10.1021/ac4031626},\n\tabstract = {A better characterization of nanometer-thick organic layers (monolayers) as used for engineering surface properties, biosensing, nanomedicine, and smart materials will widen their application. The aim of this study was to develop direct analysis in real time high-resolution mass spectrometry (DART-HRMS) into a new and complementary analytical tool for characterizing organic monolayers. To assess the scope and formulate general interpretation rules, DART-HRMS was used to analyze a diverse set of monolayers having different chemistries (amides, esters, amines, acids, alcohols, alkanes, ethers, thioethers, polymers, sugars) on five different substrates (Si, Si3N4, glass, Al2O3, Au). The substrate did not play a major role except in the case of gold, for which breaking of the weak Au?S bond that tethers the monolayer to the surface, was observed. For monolayers with stronger covalent interfacial bonds, fragmentation around terminal groups was found. For ester and amide-terminated monolayers, in situ hydrolysis during DART resulted in the detection of ions characteristic of the terminal groups (alcohol, amine, carboxylic acid). For ether and thioether-terminated layers, scission of C?O or C?S bonds also led to the release of the terminal part of the monolayer in a predictable manner. Only the spectra of alkane monolayers could not be interpreted. DART-HRMS allowed for the analysis of and distinction between monolayers containing biologically relevant mono or disaccharides. Overall, DART-HRMS is a promising surface analysis technique that combines detailed structural information on nanomaterials and ultrathin films with fast analyses under ambient conditions.},\n\tnumber = {5},\n\turldate = {2014-03-31},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Manova, Radostina K. and Joshi, Sweccha and Debrassi, Aline and Bhairamadgi, Nagendra S. and Roeven, Esther and Gagnon, Jacinthe and Tahir, Muhammad N. and Claassen, Frank W. and Scheres, Luc M.W. and Wennekes, Tom and Schroën, Karin and van Beek, Teris A. and Zuilhof, Han and Nielen, Michel W. F.},\n\tmonth = jan,\n\tyear = {2014},\n\tpages = {2403--2411},\n}\n\n\n\n
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\n A better characterization of nanometer-thick organic layers (monolayers) as used for engineering surface properties, biosensing, nanomedicine, and smart materials will widen their application. The aim of this study was to develop direct analysis in real time high-resolution mass spectrometry (DART-HRMS) into a new and complementary analytical tool for characterizing organic monolayers. To assess the scope and formulate general interpretation rules, DART-HRMS was used to analyze a diverse set of monolayers having different chemistries (amides, esters, amines, acids, alcohols, alkanes, ethers, thioethers, polymers, sugars) on five different substrates (Si, Si3N4, glass, Al2O3, Au). The substrate did not play a major role except in the case of gold, for which breaking of the weak Au?S bond that tethers the monolayer to the surface, was observed. For monolayers with stronger covalent interfacial bonds, fragmentation around terminal groups was found. For ester and amide-terminated monolayers, in situ hydrolysis during DART resulted in the detection of ions characteristic of the terminal groups (alcohol, amine, carboxylic acid). For ether and thioether-terminated layers, scission of C?O or C?S bonds also led to the release of the terminal part of the monolayer in a predictable manner. Only the spectra of alkane monolayers could not be interpreted. DART-HRMS allowed for the analysis of and distinction between monolayers containing biologically relevant mono or disaccharides. Overall, DART-HRMS is a promising surface analysis technique that combines detailed structural information on nanomaterials and ultrathin films with fast analyses under ambient conditions.\n
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\n \n\n \n \n \n \n \n \n An Effective Approach for Coupling Direct Analysis in Real Time with Atmospheric Pressure Drift Tube Ion Mobility Spectrometry.\n \n \n \n \n\n\n \n Keelor, J. D.; Dwivedi, P.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 25(9): 1538–1548. September 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{keelor_effective_2014,\n\ttitle = {An {Effective} {Approach} for {Coupling} {Direct} {Analysis} in {Real} {Time} with {Atmospheric} {Pressure} {Drift} {Tube} {Ion} {Mobility} {Spectrometry}},\n\tvolume = {25},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-014-0926-8},\n\tdoi = {10.1007/s13361-014-0926-8},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-28},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Keelor, Joel D. and Dwivedi, Prabha and Fernández, Facundo M.},\n\tmonth = sep,\n\tyear = {2014},\n\tpages = {1538--1548},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n DART–MS in-source collision induced dissociation and high mass accuracy for new psychoactive substance determinations.\n \n \n \n \n\n\n \n Musah, R. A.; Cody, R. B.; Domin, M. A.; Lesiak, A. D.; Dane, A. J.; and Shepard, J. R.\n\n\n \n\n\n\n Forensic Science International, 244: 42–49. November 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DART–MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{musah_dartms_2014,\n\ttitle = {{DART}–{MS} in-source collision induced dissociation and high mass accuracy for new psychoactive substance determinations},\n\tvolume = {244},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073814003132},\n\tdoi = {10.1016/j.forsciint.2014.07.028},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Forensic Science International},\n\tauthor = {Musah, Rabi A. and Cody, Robert B. and Domin, Marek A. and Lesiak, Ashton D. and Dane, A. John and Shepard, Jason R.E.},\n\tmonth = nov,\n\tyear = {2014},\n\tpages = {42--49},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Analysis of Geting Bituminous Coal by Electrospray Ionization and Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Fan, X.; Chen, L.; Wang, S.; Qing, Y.; Wei, X.; Zhao, Y.; Zheng, A.; Zhu, J.; and You, C.\n\n\n \n\n\n\n Analytical Letters, 47(12): 2012–2022. August 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{fan_analysis_2014,\n\ttitle = {Analysis of {Geting} {Bituminous} {Coal} by {Electrospray} {Ionization} and {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {47},\n\tissn = {0003-2719, 1532-236X},\n\turl = {http://www.tandfonline.com/doi/abs/10.1080/00032719.2014.895906},\n\tdoi = {10.1080/00032719.2014.895906},\n\tlanguage = {en},\n\tnumber = {12},\n\turldate = {2016-01-28},\n\tjournal = {Analytical Letters},\n\tauthor = {Fan, Xing and Chen, Lu and Wang, Shou-Ze and Qing, Yu and Wei, Xian-Yong and Zhao, Yun-Peng and Zheng, Ai-Li and Zhu, Ji-Liang and You, Chun-Yan},\n\tmonth = aug,\n\tyear = {2014},\n\tpages = {2012--2022},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Mass Spectrometry of Spacecraft Contamination Using Direct Analysis in Real-Time Ion Source.\n \n \n \n \n\n\n \n Anderson, M. S.\n\n\n \n\n\n\n Journal of Spacecraft and Rockets,1–5. January 2014.\n \n\n\n\n
\n\n\n\n \n \n \"MassPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{anderson_mass_2014,\n\ttitle = {Mass {Spectrometry} of {Spacecraft} {Contamination} {Using} {Direct} {Analysis} in {Real}-{Time} {Ion} {Source}},\n\tissn = {0022-4650},\n\turl = {http://dx.doi.org/10.2514/1.A32613},\n\tdoi = {10.2514/1.A32613},\n\tabstract = {Spacecraft contamination was analyzed using mass spectrometry with the direct analysis in real-time ionization source. This source uses metastable helium for soft ionization and to mediate atmospheric desorption of samples into a mass spectrometer. The sampling methodology allows polymers to be assessed for the presence of vacuum labile components. Vacuum labile residues are significant sources of contamination on spacecraft optics, science instruments, and thermal control surfaces. The methodology also provides sensitive analysis of molecular contamination on spacecraft surfaces using existing spacecraft sampling procedures. This provides identification information for a wide range of molecular components including biomarker compounds.\n\n\nRead More: http://arc.aiaa.org/doi/abs/10.2514/1.A32613},\n\turldate = {2014-01-28},\n\tjournal = {Journal of Spacecraft and Rockets},\n\tauthor = {Anderson, Mark S.},\n\tmonth = jan,\n\tyear = {2014},\n\tpages = {1--5},\n}\n\n\n\n\n\n\n\n
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\n Spacecraft contamination was analyzed using mass spectrometry with the direct analysis in real-time ionization source. This source uses metastable helium for soft ionization and to mediate atmospheric desorption of samples into a mass spectrometer. The sampling methodology allows polymers to be assessed for the presence of vacuum labile components. Vacuum labile residues are significant sources of contamination on spacecraft optics, science instruments, and thermal control surfaces. The methodology also provides sensitive analysis of molecular contamination on spacecraft surfaces using existing spacecraft sampling procedures. This provides identification information for a wide range of molecular components including biomarker compounds. Read More: http://arc.aiaa.org/doi/abs/10.2514/1.A32613\n
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\n \n\n \n \n \n \n \n \n Wide range mass calibration for negative-ion direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 20(2): 155. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"WidePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{gross_wide_2014,\n\ttitle = {Wide range mass calibration for negative-ion direct analysis in real time mass spectrometry},\n\tvolume = {20},\n\tissn = {1356-1049},\n\turl = {http://www.impublications.com/content/abstract?code=E20_0155},\n\tdoi = {10.1255/ejms.1266},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-01-28},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Gross, Jürgen},\n\tyear = {2014},\n\tpages = {155},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Metabolite Profiling by Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n \n\n\n \n Jones, C. M.; Monge, M. E.; and Fernández, F. M.\n\n\n \n\n\n\n In Raftery, D., editor(s), Mass Spectrometry in Metabolomics, volume 1198, pages 275–289. Springer New York, New York, NY, 2014.\n \n\n\n\n
\n\n\n\n \n \n \"MetabolitePaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@incollection{jones_metabolite_2014,\n\taddress = {New York, NY},\n\ttitle = {Metabolite {Profiling} by {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}},\n\tvolume = {1198},\n\tisbn = {978-1-4939-1257-5 978-1-4939-1258-2},\n\turl = {http://link.springer.com/10.1007/978-1-4939-1258-2_18},\n\turldate = {2016-01-28},\n\tbooktitle = {Mass {Spectrometry} in {Metabolomics}},\n\tpublisher = {Springer New York},\n\tauthor = {Jones, Christina M. and Monge, María Eugenia and Fernández, Facundo M.},\n\teditor = {Raftery, Daniel},\n\tyear = {2014},\n\tpages = {275--289},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Online Coupling of In-Tube Solid-Phase Microextraction with Direct Analysis in Real Time Mass Spectrometry for Rapid Determination of Triazine Herbicides in Water Using Carbon-Nanotubes-Incorporated Polymer Monolith.\n \n \n \n \n\n\n \n Wang, X.; Li, X.; Li, Z.; Zhang, Y.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical Chemistry, 86(10): 4739–4747. May 2014.\n \n\n\n\n
\n\n\n\n \n \n \"OnlinePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{wang_online_2014,\n\ttitle = {Online {Coupling} of {In}-{Tube} {Solid}-{Phase} {Microextraction} with {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} for {Rapid} {Determination} of {Triazine} {Herbicides} in {Water} {Using} {Carbon}-{Nanotubes}-{Incorporated} {Polymer} {Monolith}},\n\tvolume = {86},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac500382x},\n\tdoi = {10.1021/ac500382x},\n\tlanguage = {en},\n\tnumber = {10},\n\turldate = {2016-01-28},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Wang, Xin and Li, Xianjiang and Li, Ze and Zhang, Yiding and Bai, Yu and Liu, Huwei},\n\tmonth = may,\n\tyear = {2014},\n\tpages = {4739--4747},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Ionization characteristics of amino acids in direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Sekimoto, K.; Sakakura, M.; Kawamukai, T.; Hike, H.; Shiota, T.; Usui, F.; Bando, Y.; and Takayama, M.\n\n\n \n\n\n\n Analyst. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"IonizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{sekimoto_ionization_2014,\n\ttitle = {Ionization characteristics of amino acids in direct analysis in real time mass spectrometry},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN02193A},\n\tdoi = {10.1039/C3AN02193A},\n\tabstract = {The positive and negative ionization characteristics of 20 different [small alpha]-amino acids were investigated in Direct Analysis in Real Time (DART) mass spectrometry. Almost all of the amino acids M were ionized to generate the (de)protonated analytes [M +/- H]+/- via proton transfer reactions with the typical background ions H3O+(H2O)n and O2?- and resonant electron capture by M. The application of DART to amino acids also resulted in molecular ion formation, fragmentation, oxidations involving oxygen attachment and hydrogen loss, and formation of adducts [M + R]- with negative background ions R- (O2?-, HCO2-, NO2- and COO-(COOH)), depending on the physicochemical and/or structural properties of the individual amino acid. The relationship between each amino acid and the ionization reactions observed suggested that fragmentation can be attributed to pyrolysis during analyte desorption, as well as excess energy obtained via (de)protonation. Oxidation and [M + R]- adduct formation, in contrast, most likely originate from reactions with active oxygen such as hydroxyl radical HO?, indicating that the typical background neutral species involved in analyte ionization in DART contain HO?.},\n\tjournal = {Analyst},\n\tauthor = {Sekimoto, Kanako and Sakakura, Motoshi and Kawamukai, Takatomo and Hike, Hiroshi and Shiota, Teruhisa and Usui, Fumihiko and Bando, Yasuhiko and Takayama, Mitsuo},\n\tyear = {2014},\n}\n\n\n\n
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\n The positive and negative ionization characteristics of 20 different [small alpha]-amino acids were investigated in Direct Analysis in Real Time (DART) mass spectrometry. Almost all of the amino acids M were ionized to generate the (de)protonated analytes [M +/- H]+/- via proton transfer reactions with the typical background ions H3O+(H2O)n and O2?- and resonant electron capture by M. The application of DART to amino acids also resulted in molecular ion formation, fragmentation, oxidations involving oxygen attachment and hydrogen loss, and formation of adducts [M + R]- with negative background ions R- (O2?-, HCO2-, NO2- and COO-(COOH)), depending on the physicochemical and/or structural properties of the individual amino acid. The relationship between each amino acid and the ionization reactions observed suggested that fragmentation can be attributed to pyrolysis during analyte desorption, as well as excess energy obtained via (de)protonation. Oxidation and [M + R]- adduct formation, in contrast, most likely originate from reactions with active oxygen such as hydroxyl radical HO?, indicating that the typical background neutral species involved in analyte ionization in DART contain HO?.\n
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\n \n\n \n \n \n \n \n \n Determination of stabilisers in polymeric materials used as encapsulants in photovoltaic modules.\n \n \n \n \n\n\n \n Hintersteiner, I.; Sternbauer, L.; Beissmann, S.; Buchberger, W. W.; and Wallner, G. M.\n\n\n \n\n\n\n Polymer Testing, 33: 172–178. February 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{hintersteiner_determination_2014,\n\ttitle = {Determination of stabilisers in polymeric materials used as encapsulants in photovoltaic modules},\n\tvolume = {33},\n\tissn = {01429418},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0142941813002468},\n\tdoi = {10.1016/j.polymertesting.2013.12.004},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Polymer Testing},\n\tauthor = {Hintersteiner, Ingrid and Sternbauer, Lucas and Beissmann, Susanne and Buchberger, Wolfgang W. and Wallner, Gernot M.},\n\tmonth = feb,\n\tyear = {2014},\n\tpages = {172--178},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Accurate Mass Fragment Library for Rapid Analysis of Pesticides on Produce Using Ambient Pressure Desorption Ionization with High-Resolution Mass Spectrometry.\n \n \n \n \n\n\n \n Kern, S. E.; Lin, L. A.; and Fricke, F. L.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 25(8): 1482–1488. August 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AccuratePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{kern_accurate_2014,\n\ttitle = {Accurate {Mass} {Fragment} {Library} for {Rapid} {Analysis} of {Pesticides} on {Produce} {Using} {Ambient} {Pressure} {Desorption} {Ionization} with {High}-{Resolution} {Mass} {Spectrometry}},\n\tvolume = {25},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-014-0912-1},\n\tdoi = {10.1007/s13361-014-0912-1},\n\tlanguage = {en},\n\tnumber = {8},\n\turldate = {2016-01-28},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Kern, Sara E. and Lin, Lora A. and Fricke, Frederick L.},\n\tmonth = aug,\n\tyear = {2014},\n\tpages = {1482--1488},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Non-targeted metabolomic analysis of orange (Citrus sinensis [L.] Osbeck) wild type and bud mutant fruits by direct analysis in real-time and HPLC-electrospray mass spectrometry.\n \n \n \n \n\n\n \n Pan, Z.; Li, Y.; Deng, X.; and Xiao, S.\n\n\n \n\n\n\n Metabolomics, 10(3). June 2014.\n \n\n\n\n
\n\n\n\n \n \n \"Non-targetedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{pan_non-targeted_2014,\n\ttitle = {Non-targeted metabolomic analysis of orange ({Citrus} sinensis [{L}.] {Osbeck}) wild type and bud mutant fruits by direct analysis in real-time and {HPLC}-electrospray mass spectrometry},\n\tvolume = {10},\n\tissn = {1573-3882, 1573-3890},\n\turl = {http://link.springer.com/10.1007/s11306-013-0597-7},\n\tdoi = {10.1007/s11306-013-0597-7},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-28},\n\tjournal = {Metabolomics},\n\tauthor = {Pan, Zhiyong and Li, Yue and Deng, Xiuxin and Xiao, Shunyuan},\n\tmonth = jun,\n\tyear = {2014},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Solid-phase extraction with the metal–organic framework MIL-101(Cr) combined with direct analysis in real time mass spectrometry for the fast analysis of triazine herbicides.\n \n \n \n \n\n\n \n Li, X.; Xing, J.; Chang, C.; Wang, X.; Bai, Y.; Yan, X.; and Liu, H.\n\n\n \n\n\n\n Journal of Separation Science,n/a–n/a. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"Solid-phasePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{li_solid-phase_2014,\n\ttitle = {Solid-phase extraction with the metal–organic framework {MIL}-101({Cr}) combined with direct analysis in real time mass spectrometry for the fast analysis of triazine herbicides},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.201400151},\n\tdoi = {10.1002/jssc.201400151},\n\tabstract = {MIL-101(Cr) is an excellent metal–organic framework with high surface area and nanoscale cavities, making it promising in solid-phase extraction. Herein, we used MIL-101(Cr) as a solid-phase extraction packing material combined with fast detection of direct analysis in real time mass spectrometry (DART-MS) for the analysis of triazine herbicides. After systematic optimization of the operation parameters, including the gas temperature of DART, the moving speed of the 1D platform, solvent for desorption, amount of MIL-101(Cr) and extraction time, this method can realize the simultaneous detection of five kinds of triazine herbicides. The limits of detection were 0.1∼0.2 ng/mL and the linear ranges covered more than two orders of magnitude with the quantitation limits of 0.5∼1 ng/mL. Moreover, the developed method has been applied for the analysis of lake water samples and the recoveries for spiked analytes were in the range of 85∼110\\%. These results showed that solid-phase extraction with metal–organic frameworks is an efficient sample preparation approach for DART-MS analysis and could find more applications in environmental analysis. This article is protected by copyright. All rights reserved},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Li, Xianjiang and Xing, Jiawei and Chang, Cuilan and Wang, Xin and Bai, Yu and Yan, Xiuping and Liu, Huwei},\n\tyear = {2014},\n\tkeywords = {DART-MS, fast analysis, metal-organic frameworks, solid-phase extraction, triazine herbicides},\n\tpages = {n/a--n/a},\n}\n\n\n\n
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\n MIL-101(Cr) is an excellent metal–organic framework with high surface area and nanoscale cavities, making it promising in solid-phase extraction. Herein, we used MIL-101(Cr) as a solid-phase extraction packing material combined with fast detection of direct analysis in real time mass spectrometry (DART-MS) for the analysis of triazine herbicides. After systematic optimization of the operation parameters, including the gas temperature of DART, the moving speed of the 1D platform, solvent for desorption, amount of MIL-101(Cr) and extraction time, this method can realize the simultaneous detection of five kinds of triazine herbicides. The limits of detection were 0.1∼0.2 ng/mL and the linear ranges covered more than two orders of magnitude with the quantitation limits of 0.5∼1 ng/mL. Moreover, the developed method has been applied for the analysis of lake water samples and the recoveries for spiked analytes were in the range of 85∼110%. These results showed that solid-phase extraction with metal–organic frameworks is an efficient sample preparation approach for DART-MS analysis and could find more applications in environmental analysis. This article is protected by copyright. All rights reserved\n
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\n \n\n \n \n \n \n \n \n Detection of trace palladium by direct analysis in real time mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Zhang, Q.; Bethke, J.; and Patek, M.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 374: 39–43. December 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{zhang_detection_2014,\n\ttitle = {Detection of trace palladium by direct analysis in real time mass spectrometry ({DART}-{MS})},\n\tvolume = {374},\n\tissn = {13873806},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1387380614004370},\n\tdoi = {10.1016/j.ijms.2014.10.014},\n\tabstract = {A detection method for palladium by direct analysis in real time (DART-MS) was developed. The method was used for the detection and semi-quantification of palladium in compound samples for which palladium was used during synthesis from compound collections in early drug discovery. The samples containing palladium were mixed with the chelating agent 4-methyl-piperazine-1-carbodithioate and a palladium chelating complex was subsequently formed and detected by DART-MS. The distinct isotopic pattern of palladium was observed and used for its qualitative identification. Semi-quantification was performed based on the peak areas of the extracted ion currents for the four most abundant isotope peaks at m/z 456, 457, 459 and 461. The limit of detection for this method was observed to be 1.2 μM (120 ppb). With DART ionization, rapid analysis of 18 s per sample was achieved with low carryover. Different solvents and chelating agents were also tested for this analysis, and satisfactory signal intensity was obtained using both volatile and nonvolatile solvents.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Zhang, Qingfen and Bethke, Jennifer and Patek, Marcel},\n\tmonth = dec,\n\tyear = {2014},\n\tpages = {39--43},\n}\n\n\n\n
\n
\n\n\n
\n A detection method for palladium by direct analysis in real time (DART-MS) was developed. The method was used for the detection and semi-quantification of palladium in compound samples for which palladium was used during synthesis from compound collections in early drug discovery. The samples containing palladium were mixed with the chelating agent 4-methyl-piperazine-1-carbodithioate and a palladium chelating complex was subsequently formed and detected by DART-MS. The distinct isotopic pattern of palladium was observed and used for its qualitative identification. Semi-quantification was performed based on the peak areas of the extracted ion currents for the four most abundant isotope peaks at m/z 456, 457, 459 and 461. The limit of detection for this method was observed to be 1.2 μM (120 ppb). With DART ionization, rapid analysis of 18 s per sample was achieved with low carryover. Different solvents and chelating agents were also tested for this analysis, and satisfactory signal intensity was obtained using both volatile and nonvolatile solvents.\n
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\n \n\n \n \n \n \n \n \n Recent advances in forensic drug analysis by DART-MS.\n \n \n \n \n\n\n \n Lesiak, A. D; and Shepard, J. R.\n\n\n \n\n\n\n Bioanalysis, 6(6): 819–842. March 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RecentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_recent_2014,\n\ttitle = {Recent advances in forensic drug analysis by {DART}-{MS}},\n\tvolume = {6},\n\tissn = {1757-6180},\n\turl = {http://dx.doi.org/10.4155/bio.14.31},\n\tdoi = {10.4155/bio.14.31},\n\tabstract = {Mass spectrometry methods play a major role in many forensic applications. While gas chromatography–mass spectrometry methods are commonly used in crime laboratories and enforcement agencies, a variety of advanced techniques are now available that can improve upon standard methods and address emerging issues in forensic science. New mass spectrometry technologies include more versatile ionization sources, allowing the next generation of instrumentation to be more multipurpose and adaptable to the needs of the discipline. Direct analysis in real-time mass spectrometry is an ambient ionization method that allows direct testing of gas, liquid and solid samples without the need for any preparation or extraction, based on thermal desorption and ionization directly from the sample surface. This Review will provide an in-depth description of direct analysis in real-time time-of-flight mass spectrometry as applied to samples relevant to forensic science, with a focus on analysis and characterization related to forensic drug chemistry.},\n\tnumber = {6},\n\turldate = {2014-04-10},\n\tjournal = {Bioanalysis},\n\tauthor = {Lesiak, Ashton D and Shepard, Jason RE},\n\tmonth = mar,\n\tyear = {2014},\n\tpages = {819--842},\n}\n\n\n\n
\n
\n\n\n
\n Mass spectrometry methods play a major role in many forensic applications. While gas chromatography–mass spectrometry methods are commonly used in crime laboratories and enforcement agencies, a variety of advanced techniques are now available that can improve upon standard methods and address emerging issues in forensic science. New mass spectrometry technologies include more versatile ionization sources, allowing the next generation of instrumentation to be more multipurpose and adaptable to the needs of the discipline. Direct analysis in real-time mass spectrometry is an ambient ionization method that allows direct testing of gas, liquid and solid samples without the need for any preparation or extraction, based on thermal desorption and ionization directly from the sample surface. This Review will provide an in-depth description of direct analysis in real-time time-of-flight mass spectrometry as applied to samples relevant to forensic science, with a focus on analysis and characterization related to forensic drug chemistry.\n
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\n \n\n \n \n \n \n \n \n High-mass cluster ions of ionic liquids in positive-ion and negative-ion DART-MS and their application for wide-range mass calibrations.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–10. March 2014.\n \n\n\n\n
\n\n\n\n \n \n \"High-massPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{gross_high-mass_2014,\n\ttitle = {High-mass cluster ions of ionic liquids in positive-ion and negative-ion {DART}-{MS} and their application for wide-range mass calibrations},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-014-7720-0},\n\tdoi = {10.1007/s00216-014-7720-0},\n\tabstract = {Eight ionic liquids (ILs) are subjected to both positive-ion and negative-ion direct analyses in real time (DART) Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS). First, their ability to deliver evenly distributed cluster ion series covering a wide m/z range is explored. Then, one of the ILs exhibiting particularly useful cluster ion series in either ion polarity is applied for mass calibration. Using 1-butyl-3-methylimidazolium tricyanomethide delivers positive cluster ions suitable for mass calibration in the m/z 100–4,000 range and covers the m/z 100–2,000 range in negative-ion DART-MS. The corresponding mass reference lists are provided for either polarity. Furthermore, based on 1-butyl-3-methylimidazolium tricyanomethide, a high-mass record of m/z {\\textgreater} 5,000 for positive-ion DART-MS is presented. The mass calibration procedure is finally validated by application to established standard compounds such as polydimethylsiloxanes, perfluorononanoic acid, and Ultramark 1621, a mixture of hexakis (fluoroalkoxy) phosphazenes. Further proof is presented by consistent exact mass differences between adjacent cluster ions.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = mar,\n\tyear = {2014},\n\tkeywords = {Accurate mass, Cluster ions, Direct analysis in real time (DART), FT-ICR–MS, High-mass record, Ionic liquids, Mass calibration, mass spectrometry},\n\tpages = {1--10},\n}\n\n\n\n
\n
\n\n\n
\n Eight ionic liquids (ILs) are subjected to both positive-ion and negative-ion direct analyses in real time (DART) Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS). First, their ability to deliver evenly distributed cluster ion series covering a wide m/z range is explored. Then, one of the ILs exhibiting particularly useful cluster ion series in either ion polarity is applied for mass calibration. Using 1-butyl-3-methylimidazolium tricyanomethide delivers positive cluster ions suitable for mass calibration in the m/z 100–4,000 range and covers the m/z 100–2,000 range in negative-ion DART-MS. The corresponding mass reference lists are provided for either polarity. Furthermore, based on 1-butyl-3-methylimidazolium tricyanomethide, a high-mass record of m/z \\textgreater 5,000 for positive-ion DART-MS is presented. The mass calibration procedure is finally validated by application to established standard compounds such as polydimethylsiloxanes, perfluorononanoic acid, and Ultramark 1621, a mixture of hexakis (fluoroalkoxy) phosphazenes. Further proof is presented by consistent exact mass differences between adjacent cluster ions.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time – High resolution mass spectrometry as a valuable tool for the pharmaceutical drug development.\n \n \n \n \n\n\n \n Srbek, J.; Klejdus, B.; Douša, M.; Břicháč, J.; Stasiak, P.; Reitmajer, J.; and Nováková, L.\n\n\n \n\n\n\n Talanta, 130: 518–526. December 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{srbek_direct_2014,\n\ttitle = {Direct analysis in real time – {High} resolution mass spectrometry as a valuable tool for the pharmaceutical drug development},\n\tvolume = {130},\n\tissn = {00399140},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0039914014005608},\n\tdoi = {10.1016/j.talanta.2014.07.007},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Talanta},\n\tauthor = {Srbek, Jan and Klejdus, Bořivoj and Douša, Michal and Břicháč, Jiří and Stasiak, Pawel and Reitmajer, Josef and Nováková, Lucie},\n\tmonth = dec,\n\tyear = {2014},\n\tpages = {518--526},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time-Mass Spectrometry for the Rapid Detection of Metabolites of Aconite Alkaloids in Intestinal Bacteria.\n \n \n \n \n\n\n \n Li, X.; Hou, G.; Xing, J.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 25(12): 2181–2184. December 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_direct_2014,\n\ttitle = {Direct {Analysis} in {Real} {Time}-{Mass} {Spectrometry} for the {Rapid} {Detection} of {Metabolites} of {Aconite} {Alkaloids} in {Intestinal} {Bacteria}},\n\tvolume = {25},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-014-0991-z},\n\tdoi = {10.1007/s13361-014-0991-z},\n\tlanguage = {en},\n\tnumber = {12},\n\turldate = {2016-01-28},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Li, Xue and Hou, Guangyue and Xing, Junpeng and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tmonth = dec,\n\tyear = {2014},\n\tpages = {2181--2184},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Humidity Affects Relative Ion Abundance in Direct Analysis in Real Time Mass Spectrometry of Hexamethylene Triperoxide Diamine.\n \n \n \n \n\n\n \n Newsome, G. A.; Ackerman, L. K.; and Johnson, K. J.\n\n\n \n\n\n\n Analytical Chemistry, 86(24): 11977–11980. December 2014.\n \n\n\n\n
\n\n\n\n \n \n \"HumidityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{newsome_humidity_2014,\n\ttitle = {Humidity {Affects} {Relative} {Ion} {Abundance} in {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} of {Hexamethylene} {Triperoxide} {Diamine}},\n\tvolume = {86},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac503652x},\n\tdoi = {10.1021/ac503652x},\n\tabstract = {Unstable explosive hexamethylene triperoxide diamine (HMTD) is dangerous in quantity and benefits from the minimal sampling handling associated with atmospheric pressure chemical ionization for mass spectral analysis. Seasonal variation observed in HMTD mass spectra suggested a humidity dependence. Therefore, direct analysis in real time (DART) ionization mass spectra were acquired at a range of humidity values. An enclosure was designed to fit around the ion source and mass spectrometer inlet at atmospheric pressure. The enclosure was supplied with controlled amounts of humidified air from a test atmosphere generator to create programmable conditions for ambient analysis. The relative abundance and fragmentation of analyte ions were observed to change reliably with changing humidity values and, to a lesser degree, temperature. Humidity at such plasma-based ion sources should be regulated to avoid ∼90\\% shifts in relative ion abundance and provide stability and reproducibility of HMTD analysis.},\n\tlanguage = {en},\n\tnumber = {24},\n\turldate = {2016-01-28},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Newsome, G. Asher and Ackerman, Luke K. and Johnson, Kevin J.},\n\tmonth = dec,\n\tyear = {2014},\n\tpages = {11977--11980},\n}\n\n\n\n
\n
\n\n\n
\n Unstable explosive hexamethylene triperoxide diamine (HMTD) is dangerous in quantity and benefits from the minimal sampling handling associated with atmospheric pressure chemical ionization for mass spectral analysis. Seasonal variation observed in HMTD mass spectra suggested a humidity dependence. Therefore, direct analysis in real time (DART) ionization mass spectra were acquired at a range of humidity values. An enclosure was designed to fit around the ion source and mass spectrometer inlet at atmospheric pressure. The enclosure was supplied with controlled amounts of humidified air from a test atmosphere generator to create programmable conditions for ambient analysis. The relative abundance and fragmentation of analyte ions were observed to change reliably with changing humidity values and, to a lesser degree, temperature. Humidity at such plasma-based ion sources should be regulated to avoid ∼90% shifts in relative ion abundance and provide stability and reproducibility of HMTD analysis.\n
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\n \n\n \n \n \n \n \n \n Application of direct analysis in real time to a multiphase chemical system: Identification of polymeric arsanes generated by reduction of monomethylarsenate with sodium tetrahydroborate.\n \n \n \n \n\n\n \n Pagliano, E.; Onor, M.; McCooeye, M.; D’Ulivo, A.; Sturgeon, R. E.; and Mester, Z.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 371: 42–46. October 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{pagliano_application_2014,\n\ttitle = {Application of direct analysis in real time to a multiphase chemical system: {Identification} of polymeric arsanes generated by reduction of monomethylarsenate with sodium tetrahydroborate},\n\tvolume = {371},\n\tissn = {13873806},\n\tshorttitle = {Application of direct analysis in real time to a multiphase chemical system},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1387380614003194},\n\tdoi = {10.1016/j.ijms.2014.07.048},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Pagliano, Enea and Onor, Massimo and McCooeye, Margaret and D’Ulivo, Alessandro and Sturgeon, Ralph E. and Mester, Zoltán},\n\tmonth = oct,\n\tyear = {2014},\n\tpages = {42--46},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Solid phase microextraction (SPME)-transmission mode (TM) pushes down detection limits in direct analysis in real time (DART).\n \n \n \n \n\n\n \n Gómez-Ríos, G. A.; and Pawliszyn, J.\n\n\n \n\n\n\n Chem. Commun., 50(85): 12937–12940. August 2014.\n \n\n\n\n
\n\n\n\n \n \n \"SolidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{gomez-rios_solid_2014,\n\ttitle = {Solid phase microextraction ({SPME})-transmission mode ({TM}) pushes down detection limits in direct analysis in real time ({DART})},\n\tvolume = {50},\n\tissn = {1359-7345, 1364-548X},\n\turl = {http://xlink.rsc.org/?DOI=C4CC05301J},\n\tdoi = {10.1039/C4CC05301J},\n\tlanguage = {en},\n\tnumber = {85},\n\turldate = {2016-01-28},\n\tjournal = {Chem. Commun.},\n\tauthor = {Gómez-Ríos, Germán Augusto and Pawliszyn, Janusz},\n\tmonth = aug,\n\tyear = {2014},\n\tpages = {12937--12940},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Role of Water and Phase in the Heterogeneous Oxidation of Solid and Aqueous Succinic Acid Aerosol by Hydroxyl Radicals.\n \n \n \n \n\n\n \n Chan, M. N.; Zhang, H.; Goldstein, A. H.; and Wilson, K. R.\n\n\n \n\n\n\n The Journal of Physical Chemistry C, 118(50): 28978–28992. December 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RolePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chan_role_2014,\n\ttitle = {Role of {Water} and {Phase} in the {Heterogeneous} {Oxidation} of {Solid} and {Aqueous} {Succinic} {Acid} {Aerosol} by {Hydroxyl} {Radicals}},\n\tvolume = {118},\n\tissn = {1932-7447, 1932-7455},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/jp5012022},\n\tdoi = {10.1021/jp5012022},\n\tlanguage = {en},\n\tnumber = {50},\n\turldate = {2016-01-28},\n\tjournal = {The Journal of Physical Chemistry C},\n\tauthor = {Chan, Man Nin and Zhang, Haofei and Goldstein, Allen H. and Wilson, Kevin R.},\n\tmonth = dec,\n\tyear = {2014},\n\tpages = {28978--28992},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid process development of chromatographic process using direct analysis in real time mass spectrometry as a process analytical technology tool.\n \n \n \n \n\n\n \n Yan, B.; Chen, T.; Xu, Z.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 94: 106–110. June 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{yan_rapid_2014,\n\ttitle = {Rapid process development of chromatographic process using direct analysis in real time mass spectrometry as a process analytical technology tool},\n\tvolume = {94},\n\tissn = {07317085},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0731708514000703},\n\tdoi = {10.1016/j.jpba.2014.01.033},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Yan, Binjun and Chen, Teng and Xu, Zhilin and Qu, Haibin},\n\tmonth = jun,\n\tyear = {2014},\n\tkeywords = {Chromatographic process, Direct analysis in real time mass spectrometry, Ginkgolides, Process analytical technology, Quality by design, Rapid process development},\n\tpages = {106--110},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Chapter 2. Direct Analysis in Real Time.\n \n \n \n \n\n\n \n Cody, R. B.; and Dane, A. J.\n\n\n \n\n\n\n In Domin, M.; and Cody, R., editor(s), New Developments in Mass Spectrometry, pages 23–57. Royal Society of Chemistry, Cambridge, 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ChapterPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{cody_chapter_2014,\n\taddress = {Cambridge},\n\ttitle = {Chapter 2. {Direct} {Analysis} in {Real} {Time}},\n\tisbn = {978-1-84973-926-9},\n\tshorttitle = {Chapter 2. {Direct} {Analysis} in {Real} {Time} ({DART}\\&lt;sup xmlns="http},\n\turl = {http://ebook.rsc.org/?DOI=10.1039/9781782628026-00023},\n\tabstract = {DART was developed in late 2002 and early 2003 and was introduced in 2005 as the first commercially available ambient ionization source. DART can be classified as a plasma-based ambient ionization source: it is a form of atmospheric-pressure chemical ionization where the initial ion formation step is Penning ionization of the analyte and/or atmospheric gases. An extraordinarily broad range of applications have been reported ranging from forensics to natural products, material characterization, pharmaceutical analysis, art conservation, food and beverage analysis, environmental investigations and consumer product safety.},\n\turldate = {2016-01-28},\n\tbooktitle = {New {Developments} in {Mass} {Spectrometry}},\n\tpublisher = {Royal Society of Chemistry},\n\tauthor = {Cody, Robert B. and Dane, A. John},\n\teditor = {Domin, Marek and Cody, Robert},\n\tyear = {2014},\n\tpages = {23--57},\n}\n\n\n\n
\n
\n\n\n
\n DART was developed in late 2002 and early 2003 and was introduced in 2005 as the first commercially available ambient ionization source. DART can be classified as a plasma-based ambient ionization source: it is a form of atmospheric-pressure chemical ionization where the initial ion formation step is Penning ionization of the analyte and/or atmospheric gases. An extraordinarily broad range of applications have been reported ranging from forensics to natural products, material characterization, pharmaceutical analysis, art conservation, food and beverage analysis, environmental investigations and consumer product safety.\n
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\n \n\n \n \n \n \n \n \n Chapter 3. Ionization Mechanisms of Direct Analysis in Real Time (DART).\n \n \n \n \n\n\n \n Song, L.; and Bartmess, J. E.\n\n\n \n\n\n\n In Domin, M.; and Cody, R., editor(s), New Developments in Mass Spectrometry, pages 58–103. Royal Society of Chemistry, Cambridge, 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ChapterPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{song_chapter_2014,\n\taddress = {Cambridge},\n\ttitle = {Chapter 3. {Ionization} {Mechanisms} of {Direct} {Analysis} in {Real} {Time} ({DART})},\n\tisbn = {978-1-84973-926-9},\n\turl = {http://ebook.rsc.org/?DOI=10.1039/9781782628026-00058},\n\tabstract = {The ion and neutral chemistry that occurs in the DART source, starting with the DART gas metastables, to the range of analyte ions produced, is examined, in order to be able to predict the outcome of analysis for a variety of compounds. Both positive and negative modes, and various DART gases (He, Ar, and N2) are discussed.},\n\turldate = {2016-01-28},\n\tbooktitle = {New {Developments} in {Mass} {Spectrometry}},\n\tpublisher = {Royal Society of Chemistry},\n\tauthor = {Song, Liguo and Bartmess, John E.},\n\teditor = {Domin, Marek and Cody, Robert},\n\tyear = {2014},\n\tpages = {58--103},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n The ion and neutral chemistry that occurs in the DART source, starting with the DART gas metastables, to the range of analyte ions produced, is examined, in order to be able to predict the outcome of analysis for a variety of compounds. Both positive and negative modes, and various DART gases (He, Ar, and N2) are discussed.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of traditional Chinese herbal medicine by direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Wang, Y.; Li, C.; Huang, L.; Liu, L.; Guo, Y.; Ma, L.; and Liu, S.\n\n\n \n\n\n\n Analytica Chimica Acta, 845: 70–76. October 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{wang_rapid_2014,\n\ttitle = {Rapid identification of traditional {Chinese} herbal medicine by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {845},\n\tissn = {00032670},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0003267014007272},\n\tdoi = {10.1016/j.aca.2014.06.014},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Wang, Yang and Li, Chunmei and Huang, Liang and Liu, Li and Guo, Yunlong and Ma, Li and Liu, Shuying},\n\tmonth = oct,\n\tyear = {2014},\n\tpages = {70--76},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Analytical strategies for controlling polysorbate-based nanomicelles in fruit juice.\n \n \n \n \n\n\n \n Krtkova, V.; Schulzova, V.; Lacina, O.; Hrbek, V.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 406(16): 3909–3918. June 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AnalyticalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{krtkova_analytical_2014,\n\ttitle = {Analytical strategies for controlling polysorbate-based nanomicelles in fruit juice},\n\tvolume = {406},\n\tissn = {1618-2642, 1618-2650},\n\turl = {http://link.springer.com/10.1007/s00216-014-7823-7},\n\tdoi = {10.1007/s00216-014-7823-7},\n\tlanguage = {en},\n\tnumber = {16},\n\turldate = {2016-01-28},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Krtkova, Veronika and Schulzova, Vera and Lacina, Ondrej and Hrbek, Vojtech and Tomaniova, Monika and Hajslova, Jana},\n\tmonth = jun,\n\tyear = {2014},\n\tpages = {3909--3918},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Desorption atmospheric pressure photoionization and direct analysis in real time coupled with travelling wave ion mobility mass spectrometry: DAPPI/DART-TWIM-MS.\n \n \n \n \n\n\n \n Räsänen, R.; Dwivedi, P.; Fernández, F. M.; and Kauppila, T. J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 28(21): 2325–2336. November 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DesorptionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{rasanen_desorption_2014,\n\ttitle = {Desorption atmospheric pressure photoionization and direct analysis in real time coupled with travelling wave ion mobility mass spectrometry: {DAPPI}/{DART}-{TWIM}-{MS}},\n\tvolume = {28},\n\tissn = {09514198},\n\tshorttitle = {Desorption atmospheric pressure photoionization and direct analysis in real time coupled with travelling wave ion mobility mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7028},\n\tdoi = {10.1002/rcm.7028},\n\tabstract = {RATIONALE Ambient mass spectrometry (MS) is a tool for screening analytes directly from sample surfaces. However, background impurities may complicate the spectra and therefore fast separation techniques are needed. Here, we demonstrate the use of travelling wave ion mobility spectrometry in a comparative study of two ambient MS techniques. METHODS Desorption atmospheric pressure photoionization (DAPPI) and direct analysis in real time (DART) were coupled with travelling wave ion mobility mass spectrometry (TWIM-MS) for highly selective surface analysis. The ionization efficiencies of DAPPI and DART were compared. Test compounds were: bisphenol A, benzo[a]pyrene, ranitidine, cortisol and α-tocopherol. DAPPI-MS and DART-TWIM-MS were also applied to the analysis of chloroquine from dried blood spots, and α-tocopherol from almond surface, and DAPPI-TWIM-MS was applied to analysis of pharmaceuticals and multivitamin tablets. RESULTS DAPPI was approximately 100 times more sensitive than DART for bisphenol A and 10-20 times more sensitive for the other compounds. The limits of detection were between 30-290 and 330-8200 fmol for DAPPI and DART, respectively. Also, from the authentic samples, DAPPI ionized chloroquine and α-tocopherol more efficiently than DART. The mobility separation enabled the detection of species with low signal intensities, e.g. thiamine and cholecalciferol, in the DAPPI-TWIM-MS analysis of multivitamin tablets. CONCLUSIONS DAPPI ionized the studied compounds of interest more efficiently than DART. For both DAPPI and DART, the mobility separation prior to MS analysis reduced the amount of chemical noise in the mass spectrum and significantly increased the signal-to-noise ratio for the analytes.},\n\tlanguage = {en},\n\tnumber = {21},\n\turldate = {2016-01-28},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Räsänen, Riikka-Marjaana and Dwivedi, Prabha and Fernández, Facundo M. and Kauppila, Tiina J.},\n\tmonth = nov,\n\tyear = {2014},\n\tpages = {2325--2336},\n}\n\n\n\n
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\n RATIONALE Ambient mass spectrometry (MS) is a tool for screening analytes directly from sample surfaces. However, background impurities may complicate the spectra and therefore fast separation techniques are needed. Here, we demonstrate the use of travelling wave ion mobility spectrometry in a comparative study of two ambient MS techniques. METHODS Desorption atmospheric pressure photoionization (DAPPI) and direct analysis in real time (DART) were coupled with travelling wave ion mobility mass spectrometry (TWIM-MS) for highly selective surface analysis. The ionization efficiencies of DAPPI and DART were compared. Test compounds were: bisphenol A, benzo[a]pyrene, ranitidine, cortisol and α-tocopherol. DAPPI-MS and DART-TWIM-MS were also applied to the analysis of chloroquine from dried blood spots, and α-tocopherol from almond surface, and DAPPI-TWIM-MS was applied to analysis of pharmaceuticals and multivitamin tablets. RESULTS DAPPI was approximately 100 times more sensitive than DART for bisphenol A and 10-20 times more sensitive for the other compounds. The limits of detection were between 30-290 and 330-8200 fmol for DAPPI and DART, respectively. Also, from the authentic samples, DAPPI ionized chloroquine and α-tocopherol more efficiently than DART. The mobility separation enabled the detection of species with low signal intensities, e.g. thiamine and cholecalciferol, in the DAPPI-TWIM-MS analysis of multivitamin tablets. CONCLUSIONS DAPPI ionized the studied compounds of interest more efficiently than DART. For both DAPPI and DART, the mobility separation prior to MS analysis reduced the amount of chemical noise in the mass spectrum and significantly increased the signal-to-noise ratio for the analytes.\n
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\n \n\n \n \n \n \n \n \n Rapid Quantification of Highly Polar Trimethyl Phosphate in Wastewater via Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, X.; Liu, J.; Liu, C. C.; Zhang, J.; Shao, B.; Liu, L.; and Zhang, N.\n\n\n \n\n\n\n Journal of Chromatography A, (0). 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wang_rapid_2014,\n\ttitle = {Rapid {Quantification} of {Highly} {Polar} {Trimethyl} {Phosphate} in {Wastewater} via {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S002196731400171X},\n\tdoi = {10.1016/j.chroma.2014.01.076},\n\tnumber = {0},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Wang, Xiaowei and Liu, Jingfu and Liu, Charles C. and Zhang, Jing and Shao, Bing and Liu, Liping and Zhang, Nina},\n\tyear = {2014},\n\tkeywords = {Direct analysis real-time tandem mass spectrometry, Environmental water, Organophosphours flame retardant, Trimethyl phosphate},\n}\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry for rapid screening and quantitative determination of cholesterol in egg pasta: Determination of cholesterol in egg pasta.\n \n \n \n \n\n\n \n Al-Balaa, D.; Rajchl, A.; Grégrová, A.; Ševčík, R.; and Čížková, H.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 49(9): 911–917. September 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{al-balaa_dart_2014,\n\ttitle = {{DART} mass spectrometry for rapid screening and quantitative determination of cholesterol in egg pasta: {Determination} of cholesterol in egg pasta},\n\tvolume = {49},\n\tissn = {10765174},\n\tshorttitle = {{DART} mass spectrometry for rapid screening and quantitative determination of cholesterol in egg pasta},\n\turl = {http://doi.wiley.com/10.1002/jms.3465},\n\tdoi = {10.1002/jms.3465},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Al-Balaa, Dania and Rajchl, Aleš and Grégrová, Adéla and Ševčík, Rudolf and Čížková, Helena},\n\tmonth = sep,\n\tyear = {2014},\n\tpages = {911--917},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Combined multivariate data analysis of high-performance thin-layer chromatography fingerprints and direct analysis in real time mass spectra for profiling of natural products like propolis.\n \n \n \n \n\n\n \n Morlock, G. E.; Ristivojevic, P.; and Chernetsova, E. S.\n\n\n \n\n\n\n Journal of Chromatography A, 1328: 104–112. February 2014.\n \n\n\n\n
\n\n\n\n \n \n \"CombinedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{morlock_combined_2014,\n\ttitle = {Combined multivariate data analysis of high-performance thin-layer chromatography fingerprints and direct analysis in real time mass spectra for profiling of natural products like propolis},\n\tvolume = {1328},\n\tissn = {00219673},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0021967313019341},\n\tdoi = {10.1016/j.chroma.2013.12.053},\n\tabstract = {Sophisticated statistical tools are required to extract the full analytical power from high-performance thin-layer chromatography (HPTLC). Especially, the combination of HPTLC fingerprints (image) with chemometrics is rarely used so far. Also, the newly developed, instantaneous direct analysis in real time mass spectrometry (DART-MS) method is perspective for sample characterization and differentiation by multivariate data analysis. This is a first novel study on the differentiation of natural products using a combination of fast fingerprint techniques, like HPTLC and DART-MS, for multivariate data analysis. The results obtained by the chemometric evaluation of HPTLC and DART-MS data provided complementary information. The complexity, expense, and analysis time were significantly reduced due to the use of statistical tools for evaluation of fingerprints. The approach allowed categorizing 91 propolis samples from Germany and other locations based on their phenolic compound profile. A high level of confidence was obtained when combining orthogonal approaches (HPTLC and DART-MS) for ultrafast sample characterization. HPTLC with selective post-chromatographic derivatization provided information on polarity, functional groups and spectral properties of marker compounds, while information on possible elemental formulae of principal components (phenolic markers) was obtained by DART-MS.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Morlock, Gertrud E. and Ristivojevic, Petar and Chernetsova, Elena S.},\n\tmonth = feb,\n\tyear = {2014},\n\tkeywords = {DART-MS, Fingerprint, High-performance thin-layer chromatography, Pattern recognition, Planar chromatography, Propolis},\n\tpages = {104--112},\n}\n\n\n\n
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\n Sophisticated statistical tools are required to extract the full analytical power from high-performance thin-layer chromatography (HPTLC). Especially, the combination of HPTLC fingerprints (image) with chemometrics is rarely used so far. Also, the newly developed, instantaneous direct analysis in real time mass spectrometry (DART-MS) method is perspective for sample characterization and differentiation by multivariate data analysis. This is a first novel study on the differentiation of natural products using a combination of fast fingerprint techniques, like HPTLC and DART-MS, for multivariate data analysis. The results obtained by the chemometric evaluation of HPTLC and DART-MS data provided complementary information. The complexity, expense, and analysis time were significantly reduced due to the use of statistical tools for evaluation of fingerprints. The approach allowed categorizing 91 propolis samples from Germany and other locations based on their phenolic compound profile. A high level of confidence was obtained when combining orthogonal approaches (HPTLC and DART-MS) for ultrafast sample characterization. HPTLC with selective post-chromatographic derivatization provided information on polarity, functional groups and spectral properties of marker compounds, while information on possible elemental formulae of principal components (phenolic markers) was obtained by DART-MS.\n
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\n \n\n \n \n \n \n \n \n Determination of the aflatoxin AFB1 from corn by direct analysis in real time – mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Busman, M.; Liu, J.; Zhong, H.; Bobell, J. R.; and Maragos, C. M.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A,null–null. March 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{busman_determination_2014,\n\ttitle = {Determination of the aflatoxin {AFB1} from corn by direct analysis in real time – mass spectrometry ({DART}-{MS})},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2014.900572},\n\tdoi = {10.1080/19440049.2014.900572},\n\tabstract = {Abstract Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for screening of aflatoxins from a variety of surfaces and the rapid quantitative analysis of a common form of aflatoxin, AFB1, extracted from corn. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of aflatoxin AFB1. 84:16 acetonitrile water extracts of corn were analyzed by DART-MS. The lowest calibration level (LCL) for aflatoxin AFB1 was 4 ?g/kg. Quantitative analysis was performed with the use of matrix-matched standards employing the 13C-labeled internal standard for AFB1. DART-MS of spiked corn extracts gave linear response of the range 4?1000 ?g/kg. Good recoveries (94?110\\%) and repeatabilities (RSD 0.7?6.9\\%) were obtained at spiking levels of 20 and 100 ?g/kg with use of an isotope dilution technique. Trueness of data obtained for AFB1 in maize by DART-MS was demonstrated by analysis of corn certified reference materials.},\n\turldate = {2014-03-11},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Busman, Mark and Liu, Jihong and Zhong, Hongjian and Bobell, John R. and Maragos, Chris M.},\n\tmonth = mar,\n\tyear = {2014},\n\tpages = {null--null},\n}\n\n\n\n
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\n Abstract Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for screening of aflatoxins from a variety of surfaces and the rapid quantitative analysis of a common form of aflatoxin, AFB1, extracted from corn. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of aflatoxin AFB1. 84:16 acetonitrile water extracts of corn were analyzed by DART-MS. The lowest calibration level (LCL) for aflatoxin AFB1 was 4 ?g/kg. Quantitative analysis was performed with the use of matrix-matched standards employing the 13C-labeled internal standard for AFB1. DART-MS of spiked corn extracts gave linear response of the range 4?1000 ?g/kg. Good recoveries (94?110%) and repeatabilities (RSD 0.7?6.9%) were obtained at spiking levels of 20 and 100 ?g/kg with use of an isotope dilution technique. Trueness of data obtained for AFB1 in maize by DART-MS was demonstrated by analysis of corn certified reference materials.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry, a process analytical technology tool for real-time process monitoring in botanical drug manufacturing.\n \n \n \n \n\n\n \n Wang, L.; Zeng, S.; Chen, T.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, (0). 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wang_direct_2014,\n\ttitle = {Direct analysis in real time mass spectrometry, a process analytical technology tool for real-time process monitoring in botanical drug manufacturing},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708513006195},\n\tdoi = {10.1016/j.jpba.2013.12.034},\n\tabstract = {Abstract\nA promising process analytical technology (PAT) tool has been introduced for batch processes monitoring. Direct analysis in real time mass spectrometry (DART-MS), a means of rapid fingerprint analysis, was applied to a percolation process with multi-constituent substances for an anti-cancer botanical preparation. Fifteen batches were carried out, including ten normal operations and five abnormal batches with artificial variations. The obtained multivariate data were analyzed by a multi-way partial least squares (MPLS) model. Control trajectories were derived from eight normal batches, and the qualification was tested by R2 and Q2. Accuracy and diagnosis capability of the batch model were then validated by the remaining batches. Assisted with high performance liquid chromatography (HPLC) determination, process faults were explained by corresponding variable contributions. Furthermore, a batch level model was developed to compare and assess the model performance. The present study has demonstrated that DART-MS is very promising in process monitoring in botanical manufacturing. Compared with general PAT tools, DART-MS offers a particular account on effective compositions and can be potentially used to improve batch quality and process consistency of samples in complex matrices},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Wang, Lu and Zeng, Shanshan and Chen, Teng and Qu, Haibin},\n\tyear = {2014},\n\tkeywords = {Batch processes control, Botanical drugs, Direct analysis in real time mass spectrometry, Multivariate batch analysis, Percolation process},\n}\n\n\n\n
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\n Abstract A promising process analytical technology (PAT) tool has been introduced for batch processes monitoring. Direct analysis in real time mass spectrometry (DART-MS), a means of rapid fingerprint analysis, was applied to a percolation process with multi-constituent substances for an anti-cancer botanical preparation. Fifteen batches were carried out, including ten normal operations and five abnormal batches with artificial variations. The obtained multivariate data were analyzed by a multi-way partial least squares (MPLS) model. Control trajectories were derived from eight normal batches, and the qualification was tested by R2 and Q2. Accuracy and diagnosis capability of the batch model were then validated by the remaining batches. Assisted with high performance liquid chromatography (HPLC) determination, process faults were explained by corresponding variable contributions. Furthermore, a batch level model was developed to compare and assess the model performance. The present study has demonstrated that DART-MS is very promising in process monitoring in botanical manufacturing. Compared with general PAT tools, DART-MS offers a particular account on effective compositions and can be potentially used to improve batch quality and process consistency of samples in complex matrices\n
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\n \n\n \n \n \n \n \n Letter: Characterization of volatile and semi-volatile compounds in green and fermented leaves of Bergenia crassifolia L. by GC-MS and ID-CUBE DART-HRMS.\n \n \n \n\n\n \n Chernetsova, E.; Shikov, A.; Crawford, E.; Grashorn, S.; Laakso, I.; Pozharitskaya, O.; Makarov, V.; Hiltunen, R.; Galambosi, B.; and Morlock, G.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 20: 0–0. 2014.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{chernetsova_letter:_2014,\n\ttitle = {Letter: {Characterization} of volatile and semi-volatile compounds in green and fermented leaves of {Bergenia} crassifolia {L}. by {GC}-{MS} and {ID}-{CUBE} {DART}-{HRMS}},\n\tvolume = {20},\n\tissn = {1469-0667},\n\tdoi = {http://dx.doi.org/10.1255/ejms.1252},\n\tabstract = {Chemical compositions of volatile and semi-volatile components in green and fermented leaves of Bergenia crassifolia L. were studied. Leaf components were identified using gas chromatography with low resolution mass spectrometry and direct analysis in real time (DART) high resolution mass spectrometry with an ID-CUBE ion source. Phytol, nerolidol, geraniol, linalool, α-bisabolol, α-bisabololoxide B, α-cadinol, δ-cadinene, α-terpineol, and several other marker compounds of special interest were defined, for which the process of fermentation significantly changed their content in the leaves. Low resolution EI GC-MS and ID-CUBE DART-HRMS were found to be complementary methods, as they provide different information, helpful to increase the confidence of identification.},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Chernetsova, E. and Shikov, A. and Crawford, E. and Grashorn, S. and Laakso, I. and Pozharitskaya, O. and Makarov, V. and Hiltunen, R. and Galambosi, B. and Morlock, G.},\n\tyear = {2014},\n\tpages = {0--0},\n}\n\n\n\n
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\n Chemical compositions of volatile and semi-volatile components in green and fermented leaves of Bergenia crassifolia L. were studied. Leaf components were identified using gas chromatography with low resolution mass spectrometry and direct analysis in real time (DART) high resolution mass spectrometry with an ID-CUBE ion source. Phytol, nerolidol, geraniol, linalool, α-bisabolol, α-bisabololoxide B, α-cadinol, δ-cadinene, α-terpineol, and several other marker compounds of special interest were defined, for which the process of fermentation significantly changed their content in the leaves. Low resolution EI GC-MS and ID-CUBE DART-HRMS were found to be complementary methods, as they provide different information, helpful to increase the confidence of identification.\n
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\n \n\n \n \n \n \n \n \n Rapid analysis of Δ-9-tetrahydrocannabinol in hair using direct analysis in real time ambient ionization orbitrap mass spectrometry.\n \n \n \n \n\n\n \n Duvivier, W. F.; van Beek, T. A.; Pennings, E. J. M.; and Nielen, M. W. F.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 28(7): 682–690. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{duvivier_rapid_2014,\n\ttitle = {Rapid analysis of Δ-9-tetrahydrocannabinol in hair using direct analysis in real time ambient ionization orbitrap mass spectrometry},\n\tvolume = {28},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6831},\n\tdoi = {10.1002/rcm.6831},\n\tabstract = {RATIONALE\n\nForensic hair analysis methods are laborious, time-consuming and provide only a rough retrospective estimate of the time of drug intake. Recently, hair imaging methods using matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) were reported, but these methods require the application of MALDI matrix and are performed under vacuum. Direct analysis of entire locks of hair without any sample pretreatment and with improved spatial resolution would thus address a need.\n\nMETHODS\n\nHair samples were attached to stainless steel mesh screens and scanned in the X-direction using direct analysis in real time (DART) ambient ionization orbitrap MS. The DART gas temperature and the accuracy of the probed hair zone were optimized using Δ-9-tetrahydrocannabinol (THC) as a model compound. Since external contamination is a major issue in forensic hair analysis, sub-samples were measured before and after dichloromethane decontamination.\n\nRESULTS\n\nThe relative intensity of the THC signal in spiked blank hair versus that of quinine as the internal standard showed good reproducibility (26\\% RSD) and linearity of the method (R2 = 0.991). With the DART hair scan THC could be detected in hair samples from different chronic cannabis users. The presence of THC was confirmed by quantitative liquid chromatography/tandem mass spectrometry. Zones with different THC content could be clearly distinguished, indicating that the method might be used for retrospective timeline assessments. Detection of THC in decontaminated drug user hair showed that the DART hair scan not only probes THC on the surface of hair, but penetrates deeply enough to measure incorporated THC.\n\nCONCLUSIONS\n\nA new approach in forensic hair analysis has been developed by probing complete locks of hair using DART-MS. Longitudinal scanning enables detection of incorporated compounds and can be used as pre-screening for THC without sample preparation. The method could also be adjusted for the analysis of other drugs of abuse. Copyright © 2014 John Wiley \\& Sons, Ltd.},\n\tnumber = {7},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Duvivier, Wilco F. and van Beek, Teris A. and Pennings, Ed J. M. and Nielen, Michel W. F.},\n\tyear = {2014},\n\tpages = {682--690},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Forensic hair analysis methods are laborious, time-consuming and provide only a rough retrospective estimate of the time of drug intake. Recently, hair imaging methods using matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) were reported, but these methods require the application of MALDI matrix and are performed under vacuum. Direct analysis of entire locks of hair without any sample pretreatment and with improved spatial resolution would thus address a need. METHODS Hair samples were attached to stainless steel mesh screens and scanned in the X-direction using direct analysis in real time (DART) ambient ionization orbitrap MS. The DART gas temperature and the accuracy of the probed hair zone were optimized using Δ-9-tetrahydrocannabinol (THC) as a model compound. Since external contamination is a major issue in forensic hair analysis, sub-samples were measured before and after dichloromethane decontamination. RESULTS The relative intensity of the THC signal in spiked blank hair versus that of quinine as the internal standard showed good reproducibility (26% RSD) and linearity of the method (R2 = 0.991). With the DART hair scan THC could be detected in hair samples from different chronic cannabis users. The presence of THC was confirmed by quantitative liquid chromatography/tandem mass spectrometry. Zones with different THC content could be clearly distinguished, indicating that the method might be used for retrospective timeline assessments. Detection of THC in decontaminated drug user hair showed that the DART hair scan not only probes THC on the surface of hair, but penetrates deeply enough to measure incorporated THC. CONCLUSIONS A new approach in forensic hair analysis has been developed by probing complete locks of hair using DART-MS. Longitudinal scanning enables detection of incorporated compounds and can be used as pre-screening for THC without sample preparation. The method could also be adjusted for the analysis of other drugs of abuse. Copyright © 2014 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Chapter 1. An Introduction to Ambient Ionization Mass Spectrometry.\n \n \n \n \n\n\n \n Monge, M. E.; and Fernández, F. M.\n\n\n \n\n\n\n In Domin, M.; and Cody, R., editor(s), New Developments in Mass Spectrometry, pages 1–22. Royal Society of Chemistry, Cambridge, 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ChapterPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{monge_chapter_2014,\n\taddress = {Cambridge},\n\ttitle = {Chapter 1. {An} {Introduction} to {Ambient} {Ionization} {Mass} {Spectrometry}},\n\tisbn = {978-1-84973-926-9},\n\turl = {http://ebook.rsc.org/?DOI=10.1039/9781782628026-00001},\n\tabstract = {Ambient ionization/sampling mass spectrometry (or “ambient mass spectrometry” for short) is a subdiscipline of mass spectrometry that enables direct, high-throughput, surface analysis of native samples. Two flagship ambient mass spectrometry techniques: direct analysis in real time (DART) and desorption electrospray ionization (DESI) have not only enabled experiments previously not possible, but have also been surrounded by a plethora of other techniques, each with their own advantages and specific applications. This chapter introduces the kind of experiments that are the cornerstone of ambient mass spectrometry, and provides a set of select examples to introduce the reader new to the area to the field.},\n\turldate = {2016-01-28},\n\tbooktitle = {New {Developments} in {Mass} {Spectrometry}},\n\tpublisher = {Royal Society of Chemistry},\n\tauthor = {Monge, María Eugenia and Fernández, Facundo M.},\n\teditor = {Domin, Marek and Cody, Robert},\n\tyear = {2014},\n\tpages = {1--22},\n}\n\n\n\n
\n
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\n Ambient ionization/sampling mass spectrometry (or “ambient mass spectrometry” for short) is a subdiscipline of mass spectrometry that enables direct, high-throughput, surface analysis of native samples. Two flagship ambient mass spectrometry techniques: direct analysis in real time (DART) and desorption electrospray ionization (DESI) have not only enabled experiments previously not possible, but have also been surrounded by a plethora of other techniques, each with their own advantages and specific applications. This chapter introduces the kind of experiments that are the cornerstone of ambient mass spectrometry, and provides a set of select examples to introduce the reader new to the area to the field.\n
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\n \n\n \n \n \n \n \n \n Distinguishing wild from cultivated agarwood (Aquilaria spp.) using direct analysis in real time and time of-flight mass spectrometry.\n \n \n \n \n\n\n \n Espinoza, E. O.; Lancaster, C. A.; Kreitals, N. M.; Hata, M.; Cody, R. B.; and Blanchette, R. A.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 28(3): 281–289. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DistinguishingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{espinoza_distinguishing_2014,\n\ttitle = {Distinguishing wild from cultivated agarwood ({Aquilaria} spp.) using direct analysis in real time and time of-flight mass spectrometry},\n\tvolume = {28},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6779},\n\tdoi = {10.1002/rcm.6779},\n\tabstract = {RATIONALE\n\nIt is important for the enforcement of the CITES treaty to determine whether agarwood (a resinous wood produced in Aquilaria and Gyrinops species) seen in trade is from a plantation that was cultivated for sustainable production or was harvested from natural forests which is usually done illegally.\n\nMETHODS\n\nWe analyzed wood directly using Direct Analysis in Real Time (DART™) ionization coupled with Time-of-Flight Mass Spectrometry (TOFMS). Agarwood was obtained from five countries, and the collection contained over 150 samples. The spectra contained ions from agarwood-specific 5,6,7,8-tetrahydro-2-(2-phenylethyl)chromones as well as many other ions. The data was analyzed using either kernel discriminant analysis or kernel principal component analysis. Probability estimates of origin (wild vs cultivated) were assigned to unknown agarwood samples.\n\nRESULTS\n\nAnalysis of the DART-TOFMS data shows that many of the chromones found in cultivated and wild agarwood samples are similar; however, there is a significant difference in particular chromones that can be used for differentiation. In certain instances, the analysis of these chromones also allows inferences to be made as to the country of origin. Mass Mountaineer™ software provides an estimate of the accuracy of the discriminate model, and an unknown sample can be classified as cultivated or wild. Eleven of the thirteen validation samples (85\\%) were correctly assigned to either cultivated or wild harvested for their respective geographic provenance. The accuracy of each classification can be estimated by probabilities based on Z scores.\n\nCONCLUSIONS\n\nThe direct analysis of wood for the diagnostic chromones using DART-TOFMS followed by discriminant analysis is sufficiently robust to differentiate wild from cultivated agarwood and provides strong inference for the origin of the agarwood. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Espinoza, Edgard O. and Lancaster, Cady A. and Kreitals, Natasha M. and Hata, Masataka and Cody, Robert B. and Blanchette, Robert A.},\n\tyear = {2014},\n\tpages = {281--289},\n}\n\n\n\n
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\n RATIONALE It is important for the enforcement of the CITES treaty to determine whether agarwood (a resinous wood produced in Aquilaria and Gyrinops species) seen in trade is from a plantation that was cultivated for sustainable production or was harvested from natural forests which is usually done illegally. METHODS We analyzed wood directly using Direct Analysis in Real Time (DART™) ionization coupled with Time-of-Flight Mass Spectrometry (TOFMS). Agarwood was obtained from five countries, and the collection contained over 150 samples. The spectra contained ions from agarwood-specific 5,6,7,8-tetrahydro-2-(2-phenylethyl)chromones as well as many other ions. The data was analyzed using either kernel discriminant analysis or kernel principal component analysis. Probability estimates of origin (wild vs cultivated) were assigned to unknown agarwood samples. RESULTS Analysis of the DART-TOFMS data shows that many of the chromones found in cultivated and wild agarwood samples are similar; however, there is a significant difference in particular chromones that can be used for differentiation. In certain instances, the analysis of these chromones also allows inferences to be made as to the country of origin. Mass Mountaineer™ software provides an estimate of the accuracy of the discriminate model, and an unknown sample can be classified as cultivated or wild. Eleven of the thirteen validation samples (85%) were correctly assigned to either cultivated or wild harvested for their respective geographic provenance. The accuracy of each classification can be estimated by probabilities based on Z scores. CONCLUSIONS The direct analysis of wood for the diagnostic chromones using DART-TOFMS followed by discriminant analysis is sufficiently robust to differentiate wild from cultivated agarwood and provides strong inference for the origin of the agarwood. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Characterization of mustard seeds and paste by DART ionization with time-of-flight mass spectrometry: Mustard-DART-MS.\n \n \n \n \n\n\n \n Prchalová, J.; Kovařík, F.; Ševčík, R.; Čížková, H.; and Rajchl, A.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 49(9): 811–818. September 2014.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{prchalova_characterization_2014,\n\ttitle = {Characterization of mustard seeds and paste by {DART} ionization with time-of-flight mass spectrometry: {Mustard}-{DART}-{MS}},\n\tvolume = {49},\n\tissn = {10765174},\n\tshorttitle = {Characterization of mustard seeds and paste by {DART} ionization with time-of-flight mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/jms.3419},\n\tdoi = {10.1002/jms.3419},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Prchalová, Jana and Kovařík, František and Ševčík, Rudolf and Čížková, Helena and Rajchl, Aleš},\n\tmonth = sep,\n\tyear = {2014},\n\tpages = {811--818},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n On-line coupling of macroporous resin column chromatography with direct analysis in real time mass spectrometry utilizing a surface flowing mode sample holder.\n \n \n \n \n\n\n \n Zeng, S.; Wang, L.; Chen, T.; and Qu, H.\n\n\n \n\n\n\n Analytica Chimica Acta, 811: 43–50. February 2014.\n \n\n\n\n
\n\n\n\n \n \n \"On-linePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zeng_-line_2014,\n\ttitle = {On-line coupling of macroporous resin column chromatography with direct analysis in real time mass spectrometry utilizing a surface flowing mode sample holder},\n\tvolume = {811},\n\tissn = {00032670},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0003267013015286},\n\tdoi = {10.1016/j.aca.2013.12.014},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zeng, Shanshan and Wang, Lu and Chen, Teng and Qu, Haibin},\n\tmonth = feb,\n\tyear = {2014},\n\tkeywords = {Direct analysis in real time mass spectrometry, Macroporous resin column chromatography, On-line monitoring, Panax notoginseng, Surface flowing mode sample holder},\n\tpages = {43--50},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Pharmaceutical Identifier Confirmation via DART-TOF.\n \n \n \n \n\n\n \n Easter, J. L.; and Steiner, R. R.\n\n\n \n\n\n\n Forensic science international. April 2014.\n \n\n\n\n
\n\n\n\n \n \n \"PharmaceuticalPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{easter_pharmaceutical_2014,\n\ttitle = {Pharmaceutical {Identifier} {Confirmation} via {DART}-{TOF}},\n\tissn = {0379-0738},\n\turl = {http://dx.doi.org/10.1016/j.forsciint.2014.03.009},\n\tabstract = {•The DART-TOF is suitable as a SWGDRUG Category A technique for the analysis of pharmaceuticals.•This was successfully demonstrated with of the 100\\% correct identity confirmation of all 387 pharmaceuticals.•Drugs with identical masses were differentiated using box plots, PCA, and LDA from their spectral data.•The data produced by the DART-TOF instrument was shown to be reproducible using box plots and error bar plots. Pharmaceutical analysis comprises a large amount of the casework in forensic controlled substances laboratories. In order to reduce the time of analysis for pharmaceuticals, a Direct Analysis in Real Time ion source coupled with an accurate mass Time-of-Flight (DART-TOF) mass spectrometer was used to confirm identity. DART-TOF spectral data for pharmaceutical samples were analyzed and evaluated by comparison to standard spectra. Identical mass pharmaceuticals were differentiated using collision induced dissociation fragmentation, present/absent ions, and abundance comparison box plots; Principal Component Analysis (PCA) and Linear Discriminant Analysis (LDA) were used for differentiation of identical mass mixed drug spectra. Mass assignment reproducibility and robustness tests were performed on the DART-TOF spectra. Impacts on the forensic science community include a decrease in analysis time over the traditional gas chromatograph/mass spectrometry (GCMS) confirmations, better laboratory efficiency, and simpler sample preparation. Using physical identifiers and the DART-TOF to confirm pharmaceutical identity will eliminate the use of GCMS and effectively reduce analysis time while still complying with accepted analysis protocols. This will prove helpful in laboratories with large backlogs and will simplify the confirmation process.},\n\tjournal = {Forensic science international},\n\tauthor = {Easter, Jacob L. and Steiner, Robert R.},\n\tmonth = apr,\n\tyear = {2014},\n\tkeywords = {DART-TOF, Pharmaceutical, controlled substances, mass spectrometry, principal component analysis (PCA)},\n}\n\n\n\n
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\n •The DART-TOF is suitable as a SWGDRUG Category A technique for the analysis of pharmaceuticals.•This was successfully demonstrated with of the 100% correct identity confirmation of all 387 pharmaceuticals.•Drugs with identical masses were differentiated using box plots, PCA, and LDA from their spectral data.•The data produced by the DART-TOF instrument was shown to be reproducible using box plots and error bar plots. Pharmaceutical analysis comprises a large amount of the casework in forensic controlled substances laboratories. In order to reduce the time of analysis for pharmaceuticals, a Direct Analysis in Real Time ion source coupled with an accurate mass Time-of-Flight (DART-TOF) mass spectrometer was used to confirm identity. DART-TOF spectral data for pharmaceutical samples were analyzed and evaluated by comparison to standard spectra. Identical mass pharmaceuticals were differentiated using collision induced dissociation fragmentation, present/absent ions, and abundance comparison box plots; Principal Component Analysis (PCA) and Linear Discriminant Analysis (LDA) were used for differentiation of identical mass mixed drug spectra. Mass assignment reproducibility and robustness tests were performed on the DART-TOF spectra. Impacts on the forensic science community include a decrease in analysis time over the traditional gas chromatograph/mass spectrometry (GCMS) confirmations, better laboratory efficiency, and simpler sample preparation. Using physical identifiers and the DART-TOF to confirm pharmaceutical identity will eliminate the use of GCMS and effectively reduce analysis time while still complying with accepted analysis protocols. This will prove helpful in laboratories with large backlogs and will simplify the confirmation process.\n
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\n \n\n \n \n \n \n \n \n Food Packaging: Strategies for Rapid Phthalate Screening in Real Time by Ambient Ionization Tandem Mass Spectrometry.\n \n \n \n \n\n\n \n Crawford, E.; Crone, C.; Horner, J.; and Musselman, B.\n\n\n \n\n\n\n In Benvenuto, M. A.; Ahuja, S.; Duncan, T. V.; Noonan, G. O.; Roberts-Kirchhoff, E. S.; and American Chemical Society, editor(s), Chemistry of Food, Food Supplements, and Food Contact Materials: From Production to Plate, volume 1159, pages 71–85. American Chemical Society, Washington, DC, January 2014.\n \n\n\n\n
\n\n\n\n \n \n \"FoodPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{crawford_food_2014,\n\taddress = {Washington, DC},\n\ttitle = {Food {Packaging}: {Strategies} for {Rapid} {Phthalate} {Screening} in {Real} {Time} by {Ambient} {Ionization} {Tandem} {Mass} {Spectrometry}},\n\tvolume = {1159},\n\tisbn = {978-0-8412-2952-5 978-0-8412-2953-2},\n\tshorttitle = {Food {Packaging}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/bk-2014-1159.ch006},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tbooktitle = {Chemistry of {Food}, {Food} {Supplements}, and {Food} {Contact} {Materials}: {From} {Production} to {Plate}},\n\tpublisher = {American Chemical Society},\n\tauthor = {Crawford, Elizabeth and Crone, Catharina and Horner, Julie and Musselman, Brian},\n\teditor = {Benvenuto, Mark A. and Ahuja, Satinder and Duncan, Timothy V. and Noonan, Gregory O. and Roberts-Kirchhoff, Elizabeth S. and {American Chemical Society}},\n\tmonth = jan,\n\tyear = {2014},\n\tpages = {71--85},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Thin-layer chromatography/direct analysis in real time time-of-flight mass spectrometry and isotope dilution to analyze organophosphorus insecticides in fatty foods.\n \n \n \n \n\n\n \n Kiguchi, O.; Oka, K.; Tamada, M.; Kobayashi, T.; and Onodera, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1370: 246–254. November 2014.\n \n\n\n\n
\n\n\n\n \n \n \"Thin-layerPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{kiguchi_thin-layer_2014,\n\ttitle = {Thin-layer chromatography/direct analysis in real time time-of-flight mass spectrometry and isotope dilution to analyze organophosphorus insecticides in fatty foods},\n\tvolume = {1370},\n\tissn = {00219673},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0021967314016094},\n\tdoi = {10.1016/j.chroma.2014.10.037},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Kiguchi, Osamu and Oka, Kazuko and Tamada, Masafumi and Kobayashi, Takashi and Onodera, Jun},\n\tmonth = nov,\n\tyear = {2014},\n\tpages = {246--254},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Chapter 18. Enabling Automated Sample Analysis by Direct Analysis in Real Time (DART) Mass Spectrometry.\n \n \n \n \n\n\n \n Musselman, B.; Tice, J.; and Crawford, E.\n\n\n \n\n\n\n In Domin, M.; and Cody, R., editor(s), New Developments in Mass Spectrometry, pages 445–461. Royal Society of Chemistry, Cambridge, 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ChapterPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@incollection{musselman_chapter_2014,\n\taddress = {Cambridge},\n\ttitle = {Chapter 18. {Enabling} {Automated} {Sample} {Analysis} by {Direct} {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry}},\n\tisbn = {978-1-84973-926-9},\n\turl = {http://ebook.rsc.org/?DOI=10.1039/9781782628026-00445},\n\tabstract = {Accurate chemical measurements are often generated by using complex sampling systems designed to deliver exact volumes of sample to the site of measurement. Sample preparation for analytical mass spectrometry can be labor intensive even when using robotic sample handling devices. Ambient ionization presents a different sampling challenge for analytical chemist since samples can be analyzed in their original form whether it be a solid or a liquid. The dream of “skip the prep go direct” would be fulfilled if it were possible to completely characterize a sample by simply holding it in the ionizing region and collecting the mass spectrum. This work describes our efforts to design and fabricate an easy-to-use, inexpensive sample presentation system for use with our direct analysis in real time (DART) desorption ionization source. The use of sample-specific experimental modules will be presented along with results from pharmaceutical tablet characterization for detection of trace pesticide residues in foodstuffs.},\n\turldate = {2016-01-28},\n\tbooktitle = {New {Developments} in {Mass} {Spectrometry}},\n\tpublisher = {Royal Society of Chemistry},\n\tauthor = {Musselman, Brian and Tice, Joseph and Crawford, Elizabeth},\n\teditor = {Domin, Marek and Cody, Robert},\n\tyear = {2014},\n\tpages = {445--461},\n}\n\n\n\n
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\n\n\n
\n Accurate chemical measurements are often generated by using complex sampling systems designed to deliver exact volumes of sample to the site of measurement. Sample preparation for analytical mass spectrometry can be labor intensive even when using robotic sample handling devices. Ambient ionization presents a different sampling challenge for analytical chemist since samples can be analyzed in their original form whether it be a solid or a liquid. The dream of “skip the prep go direct” would be fulfilled if it were possible to completely characterize a sample by simply holding it in the ionizing region and collecting the mass spectrum. This work describes our efforts to design and fabricate an easy-to-use, inexpensive sample presentation system for use with our direct analysis in real time (DART) desorption ionization source. The use of sample-specific experimental modules will be presented along with results from pharmaceutical tablet characterization for detection of trace pesticide residues in foodstuffs.\n
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\n \n\n \n \n \n \n \n \n Ambient Surface Analysis of Organic Monolayers using Direct Analysis in Real Time Orbitrap Mass Spectrometry.\n \n \n \n \n\n\n \n Manova, R. K.; Joshi, S.; Debrassi, A.; Bhairamadgi, N. S.; Roeven, E.; Gagnon, J.; Tahir, M. N.; Claassen, F. W.; Scheres, L. M.; Wennekes, T.; Schroën, K.; van Beek, T. A.; Zuilhof, H.; and Nielen, M. W. F.\n\n\n \n\n\n\n Analytical Chemistry, 86(5): 2403–2411. January 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{manova_ambient_2014,\n\ttitle = {Ambient {Surface} {Analysis} of {Organic} {Monolayers} using {Direct} {Analysis} in {Real} {Time} {Orbitrap} {Mass} {Spectrometry}},\n\tvolume = {86},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac4031626},\n\tdoi = {10.1021/ac4031626},\n\tabstract = {A better characterization of nanometer-thick organic layers (monolayers) as used for engineering surface properties, biosensing, nanomedicine, and smart materials will widen their application. The aim of this study was to develop direct analysis in real time high-resolution mass spectrometry (DART-HRMS) into a new and complementary analytical tool for characterizing organic monolayers. To assess the scope and formulate general interpretation rules, DART-HRMS was used to analyze a diverse set of monolayers having different chemistries (amides, esters, amines, acids, alcohols, alkanes, ethers, thioethers, polymers, sugars) on five different substrates (Si, Si3N4, glass, Al2O3, Au). The substrate did not play a major role except in the case of gold, for which breaking of the weak Au?S bond that tethers the monolayer to the surface, was observed. For monolayers with stronger covalent interfacial bonds, fragmentation around terminal groups was found. For ester and amide-terminated monolayers, in situ hydrolysis during DART resulted in the detection of ions characteristic of the terminal groups (alcohol, amine, carboxylic acid). For ether and thioether-terminated layers, scission of C?O or C?S bonds also led to the release of the terminal part of the monolayer in a predictable manner. Only the spectra of alkane monolayers could not be interpreted. DART-HRMS allowed for the analysis of and distinction between monolayers containing biologically relevant mono or disaccharides. Overall, DART-HRMS is a promising surface analysis technique that combines detailed structural information on nanomaterials and ultrathin films with fast analyses under ambient conditions.},\n\tnumber = {5},\n\turldate = {2014-03-31},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Manova, Radostina K. and Joshi, Sweccha and Debrassi, Aline and Bhairamadgi, Nagendra S. and Roeven, Esther and Gagnon, Jacinthe and Tahir, Muhammad N. and Claassen, Frank W. and Scheres, Luc M.W. and Wennekes, Tom and Schroën, Karin and van Beek, Teris A. and Zuilhof, Han and Nielen, Michel W. F.},\n\tmonth = jan,\n\tyear = {2014},\n\tpages = {2403--2411},\n}\n\n\n\n
\n
\n\n\n
\n A better characterization of nanometer-thick organic layers (monolayers) as used for engineering surface properties, biosensing, nanomedicine, and smart materials will widen their application. The aim of this study was to develop direct analysis in real time high-resolution mass spectrometry (DART-HRMS) into a new and complementary analytical tool for characterizing organic monolayers. To assess the scope and formulate general interpretation rules, DART-HRMS was used to analyze a diverse set of monolayers having different chemistries (amides, esters, amines, acids, alcohols, alkanes, ethers, thioethers, polymers, sugars) on five different substrates (Si, Si3N4, glass, Al2O3, Au). The substrate did not play a major role except in the case of gold, for which breaking of the weak Au?S bond that tethers the monolayer to the surface, was observed. For monolayers with stronger covalent interfacial bonds, fragmentation around terminal groups was found. For ester and amide-terminated monolayers, in situ hydrolysis during DART resulted in the detection of ions characteristic of the terminal groups (alcohol, amine, carboxylic acid). For ether and thioether-terminated layers, scission of C?O or C?S bonds also led to the release of the terminal part of the monolayer in a predictable manner. Only the spectra of alkane monolayers could not be interpreted. DART-HRMS allowed for the analysis of and distinction between monolayers containing biologically relevant mono or disaccharides. Overall, DART-HRMS is a promising surface analysis technique that combines detailed structural information on nanomaterials and ultrathin films with fast analyses under ambient conditions.\n
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\n \n\n \n \n \n \n \n \n Rapid detection by direct analysis in real time-mass spectrometry (DART-MS) of psychoactive plant drugs of abuse: The case of Mitragyna speciosa aka “Kratom”.\n \n \n \n \n\n\n \n Lesiak, A. D.; Cody, R. B.; Dane, A. J.; and Musah, R. A.\n\n\n \n\n\n\n Forensic Science International, 242: 210–218. September 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_rapid_2014,\n\ttitle = {Rapid detection by direct analysis in real time-mass spectrometry ({DART}-{MS}) of psychoactive plant drugs of abuse: {The} case of {Mitragyna} speciosa aka “{Kratom}”},\n\tvolume = {242},\n\tissn = {03790738},\n\tshorttitle = {Rapid detection by direct analysis in real time-mass spectrometry ({DART}-{MS}) of psychoactive plant drugs of abuse},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073814002898},\n\tdoi = {10.1016/j.forsciint.2014.07.005},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Forensic Science International},\n\tauthor = {Lesiak, Ashton D. and Cody, Robert B. and Dane, A. John and Musah, Rabi A.},\n\tmonth = sep,\n\tyear = {2014},\n\tpages = {210--218},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n DART–MS in-source collision induced dissociation and high mass accuracy for new psychoactive substance determinations.\n \n \n \n \n\n\n \n Musah, R. A.; Cody, R. B.; Domin, M. A.; Lesiak, A. D.; Dane, A. J.; and Shepard, J. R.\n\n\n \n\n\n\n Forensic Science International, 244: 42–49. November 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DART–MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{musah_dartms_2014,\n\ttitle = {{DART}–{MS} in-source collision induced dissociation and high mass accuracy for new psychoactive substance determinations},\n\tvolume = {244},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073814003132},\n\tdoi = {10.1016/j.forsciint.2014.07.028},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Forensic Science International},\n\tauthor = {Musah, Rabi A. and Cody, Robert B. and Domin, Marek A. and Lesiak, Ashton D. and Dane, A. John and Shepard, Jason R.E.},\n\tmonth = nov,\n\tyear = {2014},\n\tpages = {42--49},\n}\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n \n An Effective Approach for Coupling Direct Analysis in Real Time with Atmospheric Pressure Drift Tube Ion Mobility Spectrometry.\n \n \n \n \n\n\n \n Keelor, J. D.; Dwivedi, P.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 25(9): 1538–1548. September 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{keelor_effective_2014,\n\ttitle = {An {Effective} {Approach} for {Coupling} {Direct} {Analysis} in {Real} {Time} with {Atmospheric} {Pressure} {Drift} {Tube} {Ion} {Mobility} {Spectrometry}},\n\tvolume = {25},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-014-0926-8},\n\tdoi = {10.1007/s13361-014-0926-8},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-28},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Keelor, Joel D. and Dwivedi, Prabha and Fernández, Facundo M.},\n\tmonth = sep,\n\tyear = {2014},\n\tpages = {1538--1548},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Mass Spectrometry of Spacecraft Contamination Using Direct Analysis in Real-Time Ion Source.\n \n \n \n \n\n\n \n Anderson, M. S.\n\n\n \n\n\n\n Journal of Spacecraft and Rockets,1–5. January 2014.\n \n\n\n\n
\n\n\n\n \n \n \"MassPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{anderson_mass_2014,\n\ttitle = {Mass {Spectrometry} of {Spacecraft} {Contamination} {Using} {Direct} {Analysis} in {Real}-{Time} {Ion} {Source}},\n\tissn = {0022-4650},\n\turl = {http://dx.doi.org/10.2514/1.A32613},\n\tdoi = {10.2514/1.A32613},\n\tabstract = {Spacecraft contamination was analyzed using mass spectrometry with the direct analysis in real-time ionization source. This source uses metastable helium for soft ionization and to mediate atmospheric desorption of samples into a mass spectrometer. The sampling methodology allows polymers to be assessed for the presence of vacuum labile components. Vacuum labile residues are significant sources of contamination on spacecraft optics, science instruments, and thermal control surfaces. The methodology also provides sensitive analysis of molecular contamination on spacecraft surfaces using existing spacecraft sampling procedures. This provides identification information for a wide range of molecular components including biomarker compounds.\n\n\nRead More: http://arc.aiaa.org/doi/abs/10.2514/1.A32613},\n\turldate = {2014-01-28},\n\tjournal = {Journal of Spacecraft and Rockets},\n\tauthor = {Anderson, Mark S.},\n\tmonth = jan,\n\tyear = {2014},\n\tpages = {1--5},\n}\n\n\n\n
\n
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\n Spacecraft contamination was analyzed using mass spectrometry with the direct analysis in real-time ionization source. This source uses metastable helium for soft ionization and to mediate atmospheric desorption of samples into a mass spectrometer. The sampling methodology allows polymers to be assessed for the presence of vacuum labile components. Vacuum labile residues are significant sources of contamination on spacecraft optics, science instruments, and thermal control surfaces. The methodology also provides sensitive analysis of molecular contamination on spacecraft surfaces using existing spacecraft sampling procedures. This provides identification information for a wide range of molecular components including biomarker compounds. Read More: http://arc.aiaa.org/doi/abs/10.2514/1.A32613\n
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\n \n\n \n \n \n \n \n \n Analysis of Geting Bituminous Coal by Electrospray Ionization and Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Fan, X.; Chen, L.; Wang, S.; Qing, Y.; Wei, X.; Zhao, Y.; Zheng, A.; Zhu, J.; and You, C.\n\n\n \n\n\n\n Analytical Letters, 47(12): 2012–2022. August 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fan_analysis_2014,\n\ttitle = {Analysis of {Geting} {Bituminous} {Coal} by {Electrospray} {Ionization} and {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {47},\n\tissn = {0003-2719, 1532-236X},\n\turl = {http://www.tandfonline.com/doi/abs/10.1080/00032719.2014.895906},\n\tdoi = {10.1080/00032719.2014.895906},\n\tlanguage = {en},\n\tnumber = {12},\n\turldate = {2016-01-28},\n\tjournal = {Analytical Letters},\n\tauthor = {Fan, Xing and Chen, Lu and Wang, Shou-Ze and Qing, Yu and Wei, Xian-Yong and Zhao, Yun-Peng and Zheng, Ai-Li and Zhu, Ji-Liang and You, Chun-Yan},\n\tmonth = aug,\n\tyear = {2014},\n\tpages = {2012--2022},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Wide range mass calibration for negative-ion direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 20(2): 155. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"WidePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{gross_wide_2014,\n\ttitle = {Wide range mass calibration for negative-ion direct analysis in real time mass spectrometry},\n\tvolume = {20},\n\tissn = {1356-1049},\n\turl = {http://www.impublications.com/content/abstract?code=E20_0155},\n\tdoi = {10.1255/ejms.1266},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-01-28},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Gross, Jürgen},\n\tyear = {2014},\n\tpages = {155},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Online Coupling of In-Tube Solid-Phase Microextraction with Direct Analysis in Real Time Mass Spectrometry for Rapid Determination of Triazine Herbicides in Water Using Carbon-Nanotubes-Incorporated Polymer Monolith.\n \n \n \n \n\n\n \n Wang, X.; Li, X.; Li, Z.; Zhang, Y.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical Chemistry, 86(10): 4739–4747. May 2014.\n \n\n\n\n
\n\n\n\n \n \n \"OnlinePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{wang_online_2014,\n\ttitle = {Online {Coupling} of {In}-{Tube} {Solid}-{Phase} {Microextraction} with {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} for {Rapid} {Determination} of {Triazine} {Herbicides} in {Water} {Using} {Carbon}-{Nanotubes}-{Incorporated} {Polymer} {Monolith}},\n\tvolume = {86},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac500382x},\n\tdoi = {10.1021/ac500382x},\n\tlanguage = {en},\n\tnumber = {10},\n\turldate = {2016-01-28},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Wang, Xin and Li, Xianjiang and Li, Ze and Zhang, Yiding and Bai, Yu and Liu, Huwei},\n\tmonth = may,\n\tyear = {2014},\n\tpages = {4739--4747},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Metabolite Profiling by Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n \n\n\n \n Jones, C. M.; Monge, M. E.; and Fernández, F. M.\n\n\n \n\n\n\n In Raftery, D., editor(s), Mass Spectrometry in Metabolomics, volume 1198, pages 275–289. Springer New York, New York, NY, 2014.\n \n\n\n\n
\n\n\n\n \n \n \"MetabolitePaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{jones_metabolite_2014,\n\taddress = {New York, NY},\n\ttitle = {Metabolite {Profiling} by {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}},\n\tvolume = {1198},\n\tisbn = {978-1-4939-1257-5 978-1-4939-1258-2},\n\turl = {http://link.springer.com/10.1007/978-1-4939-1258-2_18},\n\turldate = {2016-01-28},\n\tbooktitle = {Mass {Spectrometry} in {Metabolomics}},\n\tpublisher = {Springer New York},\n\tauthor = {Jones, Christina M. and Monge, María Eugenia and Fernández, Facundo M.},\n\teditor = {Raftery, Daniel},\n\tyear = {2014},\n\tpages = {275--289},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Ionization characteristics of amino acids in direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Sekimoto, K.; Sakakura, M.; Kawamukai, T.; Hike, H.; Shiota, T.; Usui, F.; Bando, Y.; and Takayama, M.\n\n\n \n\n\n\n Analyst. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"IonizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sekimoto_ionization_2014,\n\ttitle = {Ionization characteristics of amino acids in direct analysis in real time mass spectrometry},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN02193A},\n\tdoi = {10.1039/C3AN02193A},\n\tabstract = {The positive and negative ionization characteristics of 20 different [small alpha]-amino acids were investigated in Direct Analysis in Real Time (DART) mass spectrometry. Almost all of the amino acids M were ionized to generate the (de)protonated analytes [M +/- H]+/- via proton transfer reactions with the typical background ions H3O+(H2O)n and O2?- and resonant electron capture by M. The application of DART to amino acids also resulted in molecular ion formation, fragmentation, oxidations involving oxygen attachment and hydrogen loss, and formation of adducts [M + R]- with negative background ions R- (O2?-, HCO2-, NO2- and COO-(COOH)), depending on the physicochemical and/or structural properties of the individual amino acid. The relationship between each amino acid and the ionization reactions observed suggested that fragmentation can be attributed to pyrolysis during analyte desorption, as well as excess energy obtained via (de)protonation. Oxidation and [M + R]- adduct formation, in contrast, most likely originate from reactions with active oxygen such as hydroxyl radical HO?, indicating that the typical background neutral species involved in analyte ionization in DART contain HO?.},\n\tjournal = {Analyst},\n\tauthor = {Sekimoto, Kanako and Sakakura, Motoshi and Kawamukai, Takatomo and Hike, Hiroshi and Shiota, Teruhisa and Usui, Fumihiko and Bando, Yasuhiko and Takayama, Mitsuo},\n\tyear = {2014},\n}\n\n\n\n
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\n\n\n
\n The positive and negative ionization characteristics of 20 different [small alpha]-amino acids were investigated in Direct Analysis in Real Time (DART) mass spectrometry. Almost all of the amino acids M were ionized to generate the (de)protonated analytes [M +/- H]+/- via proton transfer reactions with the typical background ions H3O+(H2O)n and O2?- and resonant electron capture by M. The application of DART to amino acids also resulted in molecular ion formation, fragmentation, oxidations involving oxygen attachment and hydrogen loss, and formation of adducts [M + R]- with negative background ions R- (O2?-, HCO2-, NO2- and COO-(COOH)), depending on the physicochemical and/or structural properties of the individual amino acid. The relationship between each amino acid and the ionization reactions observed suggested that fragmentation can be attributed to pyrolysis during analyte desorption, as well as excess energy obtained via (de)protonation. Oxidation and [M + R]- adduct formation, in contrast, most likely originate from reactions with active oxygen such as hydroxyl radical HO?, indicating that the typical background neutral species involved in analyte ionization in DART contain HO?.\n
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\n \n\n \n \n \n \n \n \n Determination of stabilisers in polymeric materials used as encapsulants in photovoltaic modules.\n \n \n \n \n\n\n \n Hintersteiner, I.; Sternbauer, L.; Beissmann, S.; Buchberger, W. W.; and Wallner, G. M.\n\n\n \n\n\n\n Polymer Testing, 33: 172–178. February 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{hintersteiner_determination_2014,\n\ttitle = {Determination of stabilisers in polymeric materials used as encapsulants in photovoltaic modules},\n\tvolume = {33},\n\tissn = {01429418},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0142941813002468},\n\tdoi = {10.1016/j.polymertesting.2013.12.004},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Polymer Testing},\n\tauthor = {Hintersteiner, Ingrid and Sternbauer, Lucas and Beissmann, Susanne and Buchberger, Wolfgang W. and Wallner, Gernot M.},\n\tmonth = feb,\n\tyear = {2014},\n\tpages = {172--178},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Accurate Mass Fragment Library for Rapid Analysis of Pesticides on Produce Using Ambient Pressure Desorption Ionization with High-Resolution Mass Spectrometry.\n \n \n \n \n\n\n \n Kern, S. E.; Lin, L. A.; and Fricke, F. L.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 25(8): 1482–1488. August 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AccuratePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{kern_accurate_2014,\n\ttitle = {Accurate {Mass} {Fragment} {Library} for {Rapid} {Analysis} of {Pesticides} on {Produce} {Using} {Ambient} {Pressure} {Desorption} {Ionization} with {High}-{Resolution} {Mass} {Spectrometry}},\n\tvolume = {25},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-014-0912-1},\n\tdoi = {10.1007/s13361-014-0912-1},\n\tlanguage = {en},\n\tnumber = {8},\n\turldate = {2016-01-28},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Kern, Sara E. and Lin, Lora A. and Fricke, Frederick L.},\n\tmonth = aug,\n\tyear = {2014},\n\tpages = {1482--1488},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Detection of trace palladium by direct analysis in real time mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Zhang, Q.; Bethke, J.; and Patek, M.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 374: 39–43. December 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{zhang_detection_2014,\n\ttitle = {Detection of trace palladium by direct analysis in real time mass spectrometry ({DART}-{MS})},\n\tvolume = {374},\n\tissn = {13873806},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1387380614004370},\n\tdoi = {10.1016/j.ijms.2014.10.014},\n\tabstract = {A detection method for palladium by direct analysis in real time (DART-MS) was developed. The method was used for the detection and semi-quantification of palladium in compound samples for which palladium was used during synthesis from compound collections in early drug discovery. The samples containing palladium were mixed with the chelating agent 4-methyl-piperazine-1-carbodithioate and a palladium chelating complex was subsequently formed and detected by DART-MS. The distinct isotopic pattern of palladium was observed and used for its qualitative identification. Semi-quantification was performed based on the peak areas of the extracted ion currents for the four most abundant isotope peaks at m/z 456, 457, 459 and 461. The limit of detection for this method was observed to be 1.2 μM (120 ppb). With DART ionization, rapid analysis of 18 s per sample was achieved with low carryover. Different solvents and chelating agents were also tested for this analysis, and satisfactory signal intensity was obtained using both volatile and nonvolatile solvents.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Zhang, Qingfen and Bethke, Jennifer and Patek, Marcel},\n\tmonth = dec,\n\tyear = {2014},\n\tpages = {39--43},\n}\n\n\n\n
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\n A detection method for palladium by direct analysis in real time (DART-MS) was developed. The method was used for the detection and semi-quantification of palladium in compound samples for which palladium was used during synthesis from compound collections in early drug discovery. The samples containing palladium were mixed with the chelating agent 4-methyl-piperazine-1-carbodithioate and a palladium chelating complex was subsequently formed and detected by DART-MS. The distinct isotopic pattern of palladium was observed and used for its qualitative identification. Semi-quantification was performed based on the peak areas of the extracted ion currents for the four most abundant isotope peaks at m/z 456, 457, 459 and 461. The limit of detection for this method was observed to be 1.2 μM (120 ppb). With DART ionization, rapid analysis of 18 s per sample was achieved with low carryover. Different solvents and chelating agents were also tested for this analysis, and satisfactory signal intensity was obtained using both volatile and nonvolatile solvents.\n
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\n \n\n \n \n \n \n \n \n Non-targeted metabolomic analysis of orange (Citrus sinensis [L.] Osbeck) wild type and bud mutant fruits by direct analysis in real-time and HPLC-electrospray mass spectrometry.\n \n \n \n \n\n\n \n Pan, Z.; Li, Y.; Deng, X.; and Xiao, S.\n\n\n \n\n\n\n Metabolomics, 10(3). June 2014.\n \n\n\n\n
\n\n\n\n \n \n \"Non-targetedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{pan_non-targeted_2014,\n\ttitle = {Non-targeted metabolomic analysis of orange ({Citrus} sinensis [{L}.] {Osbeck}) wild type and bud mutant fruits by direct analysis in real-time and {HPLC}-electrospray mass spectrometry},\n\tvolume = {10},\n\tissn = {1573-3882, 1573-3890},\n\turl = {http://link.springer.com/10.1007/s11306-013-0597-7},\n\tdoi = {10.1007/s11306-013-0597-7},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-28},\n\tjournal = {Metabolomics},\n\tauthor = {Pan, Zhiyong and Li, Yue and Deng, Xiuxin and Xiao, Shunyuan},\n\tmonth = jun,\n\tyear = {2014},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Solid-phase extraction with the metal–organic framework MIL-101(Cr) combined with direct analysis in real time mass spectrometry for the fast analysis of triazine herbicides.\n \n \n \n \n\n\n \n Li, X.; Xing, J.; Chang, C.; Wang, X.; Bai, Y.; Yan, X.; and Liu, H.\n\n\n \n\n\n\n Journal of Separation Science,n/a–n/a. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"Solid-phasePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{li_solid-phase_2014,\n\ttitle = {Solid-phase extraction with the metal–organic framework {MIL}-101({Cr}) combined with direct analysis in real time mass spectrometry for the fast analysis of triazine herbicides},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.201400151},\n\tdoi = {10.1002/jssc.201400151},\n\tabstract = {MIL-101(Cr) is an excellent metal–organic framework with high surface area and nanoscale cavities, making it promising in solid-phase extraction. Herein, we used MIL-101(Cr) as a solid-phase extraction packing material combined with fast detection of direct analysis in real time mass spectrometry (DART-MS) for the analysis of triazine herbicides. After systematic optimization of the operation parameters, including the gas temperature of DART, the moving speed of the 1D platform, solvent for desorption, amount of MIL-101(Cr) and extraction time, this method can realize the simultaneous detection of five kinds of triazine herbicides. The limits of detection were 0.1∼0.2 ng/mL and the linear ranges covered more than two orders of magnitude with the quantitation limits of 0.5∼1 ng/mL. Moreover, the developed method has been applied for the analysis of lake water samples and the recoveries for spiked analytes were in the range of 85∼110\\%. These results showed that solid-phase extraction with metal–organic frameworks is an efficient sample preparation approach for DART-MS analysis and could find more applications in environmental analysis. This article is protected by copyright. All rights reserved},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Li, Xianjiang and Xing, Jiawei and Chang, Cuilan and Wang, Xin and Bai, Yu and Yan, Xiuping and Liu, Huwei},\n\tyear = {2014},\n\tkeywords = {DART-MS, fast analysis, metal-organic frameworks, solid-phase extraction, triazine herbicides},\n\tpages = {n/a--n/a},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n MIL-101(Cr) is an excellent metal–organic framework with high surface area and nanoscale cavities, making it promising in solid-phase extraction. Herein, we used MIL-101(Cr) as a solid-phase extraction packing material combined with fast detection of direct analysis in real time mass spectrometry (DART-MS) for the analysis of triazine herbicides. After systematic optimization of the operation parameters, including the gas temperature of DART, the moving speed of the 1D platform, solvent for desorption, amount of MIL-101(Cr) and extraction time, this method can realize the simultaneous detection of five kinds of triazine herbicides. The limits of detection were 0.1∼0.2 ng/mL and the linear ranges covered more than two orders of magnitude with the quantitation limits of 0.5∼1 ng/mL. Moreover, the developed method has been applied for the analysis of lake water samples and the recoveries for spiked analytes were in the range of 85∼110%. These results showed that solid-phase extraction with metal–organic frameworks is an efficient sample preparation approach for DART-MS analysis and could find more applications in environmental analysis. This article is protected by copyright. All rights reserved\n
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\n \n\n \n \n \n \n \n \n Recent advances in forensic drug analysis by DART-MS.\n \n \n \n \n\n\n \n Lesiak, A. D; and Shepard, J. R.\n\n\n \n\n\n\n Bioanalysis, 6(6): 819–842. March 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RecentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_recent_2014,\n\ttitle = {Recent advances in forensic drug analysis by {DART}-{MS}},\n\tvolume = {6},\n\tissn = {1757-6180},\n\turl = {http://dx.doi.org/10.4155/bio.14.31},\n\tdoi = {10.4155/bio.14.31},\n\tabstract = {Mass spectrometry methods play a major role in many forensic applications. While gas chromatography–mass spectrometry methods are commonly used in crime laboratories and enforcement agencies, a variety of advanced techniques are now available that can improve upon standard methods and address emerging issues in forensic science. New mass spectrometry technologies include more versatile ionization sources, allowing the next generation of instrumentation to be more multipurpose and adaptable to the needs of the discipline. Direct analysis in real-time mass spectrometry is an ambient ionization method that allows direct testing of gas, liquid and solid samples without the need for any preparation or extraction, based on thermal desorption and ionization directly from the sample surface. This Review will provide an in-depth description of direct analysis in real-time time-of-flight mass spectrometry as applied to samples relevant to forensic science, with a focus on analysis and characterization related to forensic drug chemistry.},\n\tnumber = {6},\n\turldate = {2014-04-10},\n\tjournal = {Bioanalysis},\n\tauthor = {Lesiak, Ashton D and Shepard, Jason RE},\n\tmonth = mar,\n\tyear = {2014},\n\tpages = {819--842},\n}\n\n\n\n
\n
\n\n\n
\n Mass spectrometry methods play a major role in many forensic applications. While gas chromatography–mass spectrometry methods are commonly used in crime laboratories and enforcement agencies, a variety of advanced techniques are now available that can improve upon standard methods and address emerging issues in forensic science. New mass spectrometry technologies include more versatile ionization sources, allowing the next generation of instrumentation to be more multipurpose and adaptable to the needs of the discipline. Direct analysis in real-time mass spectrometry is an ambient ionization method that allows direct testing of gas, liquid and solid samples without the need for any preparation or extraction, based on thermal desorption and ionization directly from the sample surface. This Review will provide an in-depth description of direct analysis in real-time time-of-flight mass spectrometry as applied to samples relevant to forensic science, with a focus on analysis and characterization related to forensic drug chemistry.\n
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\n \n\n \n \n \n \n \n \n High-mass cluster ions of ionic liquids in positive-ion and negative-ion DART-MS and their application for wide-range mass calibrations.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–10. March 2014.\n \n\n\n\n
\n\n\n\n \n \n \"High-massPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{gross_high-mass_2014,\n\ttitle = {High-mass cluster ions of ionic liquids in positive-ion and negative-ion {DART}-{MS} and their application for wide-range mass calibrations},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-014-7720-0},\n\tdoi = {10.1007/s00216-014-7720-0},\n\tabstract = {Eight ionic liquids (ILs) are subjected to both positive-ion and negative-ion direct analyses in real time (DART) Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS). First, their ability to deliver evenly distributed cluster ion series covering a wide m/z range is explored. Then, one of the ILs exhibiting particularly useful cluster ion series in either ion polarity is applied for mass calibration. Using 1-butyl-3-methylimidazolium tricyanomethide delivers positive cluster ions suitable for mass calibration in the m/z 100–4,000 range and covers the m/z 100–2,000 range in negative-ion DART-MS. The corresponding mass reference lists are provided for either polarity. Furthermore, based on 1-butyl-3-methylimidazolium tricyanomethide, a high-mass record of m/z {\\textgreater} 5,000 for positive-ion DART-MS is presented. The mass calibration procedure is finally validated by application to established standard compounds such as polydimethylsiloxanes, perfluorononanoic acid, and Ultramark 1621, a mixture of hexakis (fluoroalkoxy) phosphazenes. Further proof is presented by consistent exact mass differences between adjacent cluster ions.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = mar,\n\tyear = {2014},\n\tkeywords = {Accurate mass, Cluster ions, Direct analysis in real time (DART), FT-ICR–MS, High-mass record, Ionic liquids, Mass calibration, mass spectrometry},\n\tpages = {1--10},\n}\n\n\n\n
\n
\n\n\n
\n Eight ionic liquids (ILs) are subjected to both positive-ion and negative-ion direct analyses in real time (DART) Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS). First, their ability to deliver evenly distributed cluster ion series covering a wide m/z range is explored. Then, one of the ILs exhibiting particularly useful cluster ion series in either ion polarity is applied for mass calibration. Using 1-butyl-3-methylimidazolium tricyanomethide delivers positive cluster ions suitable for mass calibration in the m/z 100–4,000 range and covers the m/z 100–2,000 range in negative-ion DART-MS. The corresponding mass reference lists are provided for either polarity. Furthermore, based on 1-butyl-3-methylimidazolium tricyanomethide, a high-mass record of m/z \\textgreater 5,000 for positive-ion DART-MS is presented. The mass calibration procedure is finally validated by application to established standard compounds such as polydimethylsiloxanes, perfluorononanoic acid, and Ultramark 1621, a mixture of hexakis (fluoroalkoxy) phosphazenes. Further proof is presented by consistent exact mass differences between adjacent cluster ions.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time-Mass Spectrometry for the Rapid Detection of Metabolites of Aconite Alkaloids in Intestinal Bacteria.\n \n \n \n \n\n\n \n Li, X.; Hou, G.; Xing, J.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 25(12): 2181–2184. December 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_direct_2014,\n\ttitle = {Direct {Analysis} in {Real} {Time}-{Mass} {Spectrometry} for the {Rapid} {Detection} of {Metabolites} of {Aconite} {Alkaloids} in {Intestinal} {Bacteria}},\n\tvolume = {25},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-014-0991-z},\n\tdoi = {10.1007/s13361-014-0991-z},\n\tlanguage = {en},\n\tnumber = {12},\n\turldate = {2016-01-28},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Li, Xue and Hou, Guangyue and Xing, Junpeng and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tmonth = dec,\n\tyear = {2014},\n\tpages = {2181--2184},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time – High resolution mass spectrometry as a valuable tool for the pharmaceutical drug development.\n \n \n \n \n\n\n \n Srbek, J.; Klejdus, B.; Douša, M.; Břicháč, J.; Stasiak, P.; Reitmajer, J.; and Nováková, L.\n\n\n \n\n\n\n Talanta, 130: 518–526. December 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{srbek_direct_2014,\n\ttitle = {Direct analysis in real time – {High} resolution mass spectrometry as a valuable tool for the pharmaceutical drug development},\n\tvolume = {130},\n\tissn = {00399140},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0039914014005608},\n\tdoi = {10.1016/j.talanta.2014.07.007},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Talanta},\n\tauthor = {Srbek, Jan and Klejdus, Bořivoj and Douša, Michal and Břicháč, Jiří and Stasiak, Pawel and Reitmajer, Josef and Nováková, Lucie},\n\tmonth = dec,\n\tyear = {2014},\n\tpages = {518--526},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Humidity Affects Relative Ion Abundance in Direct Analysis in Real Time Mass Spectrometry of Hexamethylene Triperoxide Diamine.\n \n \n \n \n\n\n \n Newsome, G. A.; Ackerman, L. K.; and Johnson, K. J.\n\n\n \n\n\n\n Analytical Chemistry, 86(24): 11977–11980. December 2014.\n \n\n\n\n
\n\n\n\n \n \n \"HumidityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{newsome_humidity_2014,\n\ttitle = {Humidity {Affects} {Relative} {Ion} {Abundance} in {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} of {Hexamethylene} {Triperoxide} {Diamine}},\n\tvolume = {86},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac503652x},\n\tdoi = {10.1021/ac503652x},\n\tabstract = {Unstable explosive hexamethylene triperoxide diamine (HMTD) is dangerous in quantity and benefits from the minimal sampling handling associated with atmospheric pressure chemical ionization for mass spectral analysis. Seasonal variation observed in HMTD mass spectra suggested a humidity dependence. Therefore, direct analysis in real time (DART) ionization mass spectra were acquired at a range of humidity values. An enclosure was designed to fit around the ion source and mass spectrometer inlet at atmospheric pressure. The enclosure was supplied with controlled amounts of humidified air from a test atmosphere generator to create programmable conditions for ambient analysis. The relative abundance and fragmentation of analyte ions were observed to change reliably with changing humidity values and, to a lesser degree, temperature. Humidity at such plasma-based ion sources should be regulated to avoid ∼90\\% shifts in relative ion abundance and provide stability and reproducibility of HMTD analysis.},\n\tlanguage = {en},\n\tnumber = {24},\n\turldate = {2016-01-28},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Newsome, G. Asher and Ackerman, Luke K. and Johnson, Kevin J.},\n\tmonth = dec,\n\tyear = {2014},\n\tpages = {11977--11980},\n}\n\n\n\n
\n
\n\n\n
\n Unstable explosive hexamethylene triperoxide diamine (HMTD) is dangerous in quantity and benefits from the minimal sampling handling associated with atmospheric pressure chemical ionization for mass spectral analysis. Seasonal variation observed in HMTD mass spectra suggested a humidity dependence. Therefore, direct analysis in real time (DART) ionization mass spectra were acquired at a range of humidity values. An enclosure was designed to fit around the ion source and mass spectrometer inlet at atmospheric pressure. The enclosure was supplied with controlled amounts of humidified air from a test atmosphere generator to create programmable conditions for ambient analysis. The relative abundance and fragmentation of analyte ions were observed to change reliably with changing humidity values and, to a lesser degree, temperature. Humidity at such plasma-based ion sources should be regulated to avoid ∼90% shifts in relative ion abundance and provide stability and reproducibility of HMTD analysis.\n
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\n \n\n \n \n \n \n \n \n Role of Water and Phase in the Heterogeneous Oxidation of Solid and Aqueous Succinic Acid Aerosol by Hydroxyl Radicals.\n \n \n \n \n\n\n \n Chan, M. N.; Zhang, H.; Goldstein, A. H.; and Wilson, K. R.\n\n\n \n\n\n\n The Journal of Physical Chemistry C, 118(50): 28978–28992. December 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RolePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chan_role_2014,\n\ttitle = {Role of {Water} and {Phase} in the {Heterogeneous} {Oxidation} of {Solid} and {Aqueous} {Succinic} {Acid} {Aerosol} by {Hydroxyl} {Radicals}},\n\tvolume = {118},\n\tissn = {1932-7447, 1932-7455},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/jp5012022},\n\tdoi = {10.1021/jp5012022},\n\tlanguage = {en},\n\tnumber = {50},\n\turldate = {2016-01-28},\n\tjournal = {The Journal of Physical Chemistry C},\n\tauthor = {Chan, Man Nin and Zhang, Haofei and Goldstein, Allen H. and Wilson, Kevin R.},\n\tmonth = dec,\n\tyear = {2014},\n\tpages = {28978--28992},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Solid phase microextraction (SPME)-transmission mode (TM) pushes down detection limits in direct analysis in real time (DART).\n \n \n \n \n\n\n \n Gómez-Ríos, G. A.; and Pawliszyn, J.\n\n\n \n\n\n\n Chem. Commun., 50(85): 12937–12940. August 2014.\n \n\n\n\n
\n\n\n\n \n \n \"SolidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{gomez-rios_solid_2014,\n\ttitle = {Solid phase microextraction ({SPME})-transmission mode ({TM}) pushes down detection limits in direct analysis in real time ({DART})},\n\tvolume = {50},\n\tissn = {1359-7345, 1364-548X},\n\turl = {http://xlink.rsc.org/?DOI=C4CC05301J},\n\tdoi = {10.1039/C4CC05301J},\n\tlanguage = {en},\n\tnumber = {85},\n\turldate = {2016-01-28},\n\tjournal = {Chem. Commun.},\n\tauthor = {Gómez-Ríos, Germán Augusto and Pawliszyn, Janusz},\n\tmonth = aug,\n\tyear = {2014},\n\tpages = {12937--12940},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Application of direct analysis in real time to a multiphase chemical system: Identification of polymeric arsanes generated by reduction of monomethylarsenate with sodium tetrahydroborate.\n \n \n \n \n\n\n \n Pagliano, E.; Onor, M.; McCooeye, M.; D’Ulivo, A.; Sturgeon, R. E.; and Mester, Z.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 371: 42–46. October 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{pagliano_application_2014,\n\ttitle = {Application of direct analysis in real time to a multiphase chemical system: {Identification} of polymeric arsanes generated by reduction of monomethylarsenate with sodium tetrahydroborate},\n\tvolume = {371},\n\tissn = {13873806},\n\tshorttitle = {Application of direct analysis in real time to a multiphase chemical system},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1387380614003194},\n\tdoi = {10.1016/j.ijms.2014.07.048},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Pagliano, Enea and Onor, Massimo and McCooeye, Margaret and D’Ulivo, Alessandro and Sturgeon, Ralph E. and Mester, Zoltán},\n\tmonth = oct,\n\tyear = {2014},\n\tpages = {42--46},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid process development of chromatographic process using direct analysis in real time mass spectrometry as a process analytical technology tool.\n \n \n \n \n\n\n \n Yan, B.; Chen, T.; Xu, Z.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 94: 106–110. June 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{yan_rapid_2014,\n\ttitle = {Rapid process development of chromatographic process using direct analysis in real time mass spectrometry as a process analytical technology tool},\n\tvolume = {94},\n\tissn = {07317085},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0731708514000703},\n\tdoi = {10.1016/j.jpba.2014.01.033},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Yan, Binjun and Chen, Teng and Xu, Zhilin and Qu, Haibin},\n\tmonth = jun,\n\tyear = {2014},\n\tkeywords = {Chromatographic process, Direct analysis in real time mass spectrometry, Ginkgolides, Process analytical technology, Quality by design, Rapid process development},\n\tpages = {106--110},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Chapter 2. Direct Analysis in Real Time.\n \n \n \n \n\n\n \n Cody, R. B.; and Dane, A. J.\n\n\n \n\n\n\n In Domin, M.; and Cody, R., editor(s), New Developments in Mass Spectrometry, pages 23–57. Royal Society of Chemistry, Cambridge, 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ChapterPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@incollection{cody_chapter_2014,\n\taddress = {Cambridge},\n\ttitle = {Chapter 2. {Direct} {Analysis} in {Real} {Time}},\n\tisbn = {978-1-84973-926-9},\n\tshorttitle = {Chapter 2. {Direct} {Analysis} in {Real} {Time} ({DART}\\&lt;sup xmlns="http},\n\turl = {http://ebook.rsc.org/?DOI=10.1039/9781782628026-00023},\n\tabstract = {DART was developed in late 2002 and early 2003 and was introduced in 2005 as the first commercially available ambient ionization source. DART can be classified as a plasma-based ambient ionization source: it is a form of atmospheric-pressure chemical ionization where the initial ion formation step is Penning ionization of the analyte and/or atmospheric gases. An extraordinarily broad range of applications have been reported ranging from forensics to natural products, material characterization, pharmaceutical analysis, art conservation, food and beverage analysis, environmental investigations and consumer product safety.},\n\turldate = {2016-01-28},\n\tbooktitle = {New {Developments} in {Mass} {Spectrometry}},\n\tpublisher = {Royal Society of Chemistry},\n\tauthor = {Cody, Robert B. and Dane, A. John},\n\teditor = {Domin, Marek and Cody, Robert},\n\tyear = {2014},\n\tpages = {23--57},\n}\n\n\n\n
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\n DART was developed in late 2002 and early 2003 and was introduced in 2005 as the first commercially available ambient ionization source. DART can be classified as a plasma-based ambient ionization source: it is a form of atmospheric-pressure chemical ionization where the initial ion formation step is Penning ionization of the analyte and/or atmospheric gases. An extraordinarily broad range of applications have been reported ranging from forensics to natural products, material characterization, pharmaceutical analysis, art conservation, food and beverage analysis, environmental investigations and consumer product safety.\n
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\n \n\n \n \n \n \n \n \n Chapter 3. Ionization Mechanisms of Direct Analysis in Real Time (DART).\n \n \n \n \n\n\n \n Song, L.; and Bartmess, J. E.\n\n\n \n\n\n\n In Domin, M.; and Cody, R., editor(s), New Developments in Mass Spectrometry, pages 58–103. Royal Society of Chemistry, Cambridge, 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ChapterPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{song_chapter_2014,\n\taddress = {Cambridge},\n\ttitle = {Chapter 3. {Ionization} {Mechanisms} of {Direct} {Analysis} in {Real} {Time} ({DART})},\n\tisbn = {978-1-84973-926-9},\n\turl = {http://ebook.rsc.org/?DOI=10.1039/9781782628026-00058},\n\tabstract = {The ion and neutral chemistry that occurs in the DART source, starting with the DART gas metastables, to the range of analyte ions produced, is examined, in order to be able to predict the outcome of analysis for a variety of compounds. Both positive and negative modes, and various DART gases (He, Ar, and N2) are discussed.},\n\turldate = {2016-01-28},\n\tbooktitle = {New {Developments} in {Mass} {Spectrometry}},\n\tpublisher = {Royal Society of Chemistry},\n\tauthor = {Song, Liguo and Bartmess, John E.},\n\teditor = {Domin, Marek and Cody, Robert},\n\tyear = {2014},\n\tpages = {58--103},\n}\n\n\n\n
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\n The ion and neutral chemistry that occurs in the DART source, starting with the DART gas metastables, to the range of analyte ions produced, is examined, in order to be able to predict the outcome of analysis for a variety of compounds. Both positive and negative modes, and various DART gases (He, Ar, and N2) are discussed.\n
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\n \n\n \n \n \n \n \n \n Solid-phase extraction with the metal–organic framework MIL-101(Cr) combined with direct analysis in real time mass spectrometry for the fast analysis of triazine herbicides.\n \n \n \n \n\n\n \n Li, X.; Xing, J.; Chang, C.; Wang, X.; Bai, Y.; Yan, X.; and Liu, H.\n\n\n \n\n\n\n Journal of Separation Science,n/a–n/a. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"Solid-phasePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{li_solid-phase_2014,\n\ttitle = {Solid-phase extraction with the metal–organic framework {MIL}-101({Cr}) combined with direct analysis in real time mass spectrometry for the fast analysis of triazine herbicides},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.201400151},\n\tdoi = {10.1002/jssc.201400151},\n\tabstract = {MIL-101(Cr) is an excellent metal–organic framework with high surface area and nanoscale cavities, making it promising in solid-phase extraction. Herein, we used MIL-101(Cr) as a solid-phase extraction packing material combined with fast detection of direct analysis in real time mass spectrometry (DART-MS) for the analysis of triazine herbicides. After systematic optimization of the operation parameters, including the gas temperature of DART, the moving speed of the 1D platform, solvent for desorption, amount of MIL-101(Cr) and extraction time, this method can realize the simultaneous detection of five kinds of triazine herbicides. The limits of detection were 0.1∼0.2 ng/mL and the linear ranges covered more than two orders of magnitude with the quantitation limits of 0.5∼1 ng/mL. Moreover, the developed method has been applied for the analysis of lake water samples and the recoveries for spiked analytes were in the range of 85∼110\\%. These results showed that solid-phase extraction with metal–organic frameworks is an efficient sample preparation approach for DART-MS analysis and could find more applications in environmental analysis. This article is protected by copyright. All rights reserved},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Li, Xianjiang and Xing, Jiawei and Chang, Cuilan and Wang, Xin and Bai, Yu and Yan, Xiuping and Liu, Huwei},\n\tyear = {2014},\n\tkeywords = {DART-MS, fast analysis, metal-organic frameworks, solid-phase extraction, triazine herbicides},\n\tpages = {n/a--n/a},\n}\n\n\n\n
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\n MIL-101(Cr) is an excellent metal–organic framework with high surface area and nanoscale cavities, making it promising in solid-phase extraction. Herein, we used MIL-101(Cr) as a solid-phase extraction packing material combined with fast detection of direct analysis in real time mass spectrometry (DART-MS) for the analysis of triazine herbicides. After systematic optimization of the operation parameters, including the gas temperature of DART, the moving speed of the 1D platform, solvent for desorption, amount of MIL-101(Cr) and extraction time, this method can realize the simultaneous detection of five kinds of triazine herbicides. The limits of detection were 0.1∼0.2 ng/mL and the linear ranges covered more than two orders of magnitude with the quantitation limits of 0.5∼1 ng/mL. Moreover, the developed method has been applied for the analysis of lake water samples and the recoveries for spiked analytes were in the range of 85∼110%. These results showed that solid-phase extraction with metal–organic frameworks is an efficient sample preparation approach for DART-MS analysis and could find more applications in environmental analysis. This article is protected by copyright. All rights reserved\n
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\n \n\n \n \n \n \n \n \n Distinguishing wild from cultivated agarwood (Aquilaria spp.) using direct analysis in real time and time of-flight mass spectrometry.\n \n \n \n \n\n\n \n Espinoza, E. O.; Lancaster, C. A.; Kreitals, N. M.; Hata, M.; Cody, R. B.; and Blanchette, R. A.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 28(3): 281–289. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DistinguishingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{espinoza_distinguishing_2014,\n\ttitle = {Distinguishing wild from cultivated agarwood ({Aquilaria} spp.) using direct analysis in real time and time of-flight mass spectrometry},\n\tvolume = {28},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6779},\n\tdoi = {10.1002/rcm.6779},\n\tabstract = {RATIONALE\n\nIt is important for the enforcement of the CITES treaty to determine whether agarwood (a resinous wood produced in Aquilaria and Gyrinops species) seen in trade is from a plantation that was cultivated for sustainable production or was harvested from natural forests which is usually done illegally.\n\nMETHODS\n\nWe analyzed wood directly using Direct Analysis in Real Time (DART™) ionization coupled with Time-of-Flight Mass Spectrometry (TOFMS). Agarwood was obtained from five countries, and the collection contained over 150 samples. The spectra contained ions from agarwood-specific 5,6,7,8-tetrahydro-2-(2-phenylethyl)chromones as well as many other ions. The data was analyzed using either kernel discriminant analysis or kernel principal component analysis. Probability estimates of origin (wild vs cultivated) were assigned to unknown agarwood samples.\n\nRESULTS\n\nAnalysis of the DART-TOFMS data shows that many of the chromones found in cultivated and wild agarwood samples are similar; however, there is a significant difference in particular chromones that can be used for differentiation. In certain instances, the analysis of these chromones also allows inferences to be made as to the country of origin. Mass Mountaineer™ software provides an estimate of the accuracy of the discriminate model, and an unknown sample can be classified as cultivated or wild. Eleven of the thirteen validation samples (85\\%) were correctly assigned to either cultivated or wild harvested for their respective geographic provenance. The accuracy of each classification can be estimated by probabilities based on Z scores.\n\nCONCLUSIONS\n\nThe direct analysis of wood for the diagnostic chromones using DART-TOFMS followed by discriminant analysis is sufficiently robust to differentiate wild from cultivated agarwood and provides strong inference for the origin of the agarwood. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Espinoza, Edgard O. and Lancaster, Cady A. and Kreitals, Natasha M. and Hata, Masataka and Cody, Robert B. and Blanchette, Robert A.},\n\tyear = {2014},\n\tpages = {281--289},\n}\n\n\n\n
\n
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\n RATIONALE It is important for the enforcement of the CITES treaty to determine whether agarwood (a resinous wood produced in Aquilaria and Gyrinops species) seen in trade is from a plantation that was cultivated for sustainable production or was harvested from natural forests which is usually done illegally. METHODS We analyzed wood directly using Direct Analysis in Real Time (DART™) ionization coupled with Time-of-Flight Mass Spectrometry (TOFMS). Agarwood was obtained from five countries, and the collection contained over 150 samples. The spectra contained ions from agarwood-specific 5,6,7,8-tetrahydro-2-(2-phenylethyl)chromones as well as many other ions. The data was analyzed using either kernel discriminant analysis or kernel principal component analysis. Probability estimates of origin (wild vs cultivated) were assigned to unknown agarwood samples. RESULTS Analysis of the DART-TOFMS data shows that many of the chromones found in cultivated and wild agarwood samples are similar; however, there is a significant difference in particular chromones that can be used for differentiation. In certain instances, the analysis of these chromones also allows inferences to be made as to the country of origin. Mass Mountaineer™ software provides an estimate of the accuracy of the discriminate model, and an unknown sample can be classified as cultivated or wild. Eleven of the thirteen validation samples (85%) were correctly assigned to either cultivated or wild harvested for their respective geographic provenance. The accuracy of each classification can be estimated by probabilities based on Z scores. CONCLUSIONS The direct analysis of wood for the diagnostic chromones using DART-TOFMS followed by discriminant analysis is sufficiently robust to differentiate wild from cultivated agarwood and provides strong inference for the origin of the agarwood. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Pharmaceutical Identifier Confirmation via DART-TOF.\n \n \n \n \n\n\n \n Easter, J. L.; and Steiner, R. R.\n\n\n \n\n\n\n Forensic science international. April 2014.\n \n\n\n\n
\n\n\n\n \n \n \"PharmaceuticalPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{easter_pharmaceutical_2014,\n\ttitle = {Pharmaceutical {Identifier} {Confirmation} via {DART}-{TOF}},\n\tissn = {0379-0738},\n\turl = {http://dx.doi.org/10.1016/j.forsciint.2014.03.009},\n\tabstract = {•The DART-TOF is suitable as a SWGDRUG Category A technique for the analysis of pharmaceuticals.•This was successfully demonstrated with of the 100\\% correct identity confirmation of all 387 pharmaceuticals.•Drugs with identical masses were differentiated using box plots, PCA, and LDA from their spectral data.•The data produced by the DART-TOF instrument was shown to be reproducible using box plots and error bar plots. Pharmaceutical analysis comprises a large amount of the casework in forensic controlled substances laboratories. In order to reduce the time of analysis for pharmaceuticals, a Direct Analysis in Real Time ion source coupled with an accurate mass Time-of-Flight (DART-TOF) mass spectrometer was used to confirm identity. DART-TOF spectral data for pharmaceutical samples were analyzed and evaluated by comparison to standard spectra. Identical mass pharmaceuticals were differentiated using collision induced dissociation fragmentation, present/absent ions, and abundance comparison box plots; Principal Component Analysis (PCA) and Linear Discriminant Analysis (LDA) were used for differentiation of identical mass mixed drug spectra. Mass assignment reproducibility and robustness tests were performed on the DART-TOF spectra. Impacts on the forensic science community include a decrease in analysis time over the traditional gas chromatograph/mass spectrometry (GCMS) confirmations, better laboratory efficiency, and simpler sample preparation. Using physical identifiers and the DART-TOF to confirm pharmaceutical identity will eliminate the use of GCMS and effectively reduce analysis time while still complying with accepted analysis protocols. This will prove helpful in laboratories with large backlogs and will simplify the confirmation process.},\n\tjournal = {Forensic science international},\n\tauthor = {Easter, Jacob L. and Steiner, Robert R.},\n\tmonth = apr,\n\tyear = {2014},\n\tkeywords = {DART-TOF, Pharmaceutical, controlled substances, mass spectrometry, principal component analysis (PCA)},\n}\n\n\n\n
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\n •The DART-TOF is suitable as a SWGDRUG Category A technique for the analysis of pharmaceuticals.•This was successfully demonstrated with of the 100% correct identity confirmation of all 387 pharmaceuticals.•Drugs with identical masses were differentiated using box plots, PCA, and LDA from their spectral data.•The data produced by the DART-TOF instrument was shown to be reproducible using box plots and error bar plots. Pharmaceutical analysis comprises a large amount of the casework in forensic controlled substances laboratories. In order to reduce the time of analysis for pharmaceuticals, a Direct Analysis in Real Time ion source coupled with an accurate mass Time-of-Flight (DART-TOF) mass spectrometer was used to confirm identity. DART-TOF spectral data for pharmaceutical samples were analyzed and evaluated by comparison to standard spectra. Identical mass pharmaceuticals were differentiated using collision induced dissociation fragmentation, present/absent ions, and abundance comparison box plots; Principal Component Analysis (PCA) and Linear Discriminant Analysis (LDA) were used for differentiation of identical mass mixed drug spectra. Mass assignment reproducibility and robustness tests were performed on the DART-TOF spectra. Impacts on the forensic science community include a decrease in analysis time over the traditional gas chromatograph/mass spectrometry (GCMS) confirmations, better laboratory efficiency, and simpler sample preparation. Using physical identifiers and the DART-TOF to confirm pharmaceutical identity will eliminate the use of GCMS and effectively reduce analysis time while still complying with accepted analysis protocols. This will prove helpful in laboratories with large backlogs and will simplify the confirmation process.\n
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\n \n\n \n \n \n \n \n \n Rapid Quantification of Highly Polar Trimethyl Phosphate in Wastewater via Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, X.; Liu, J.; Liu, C. C.; Zhang, J.; Shao, B.; Liu, L.; and Zhang, N.\n\n\n \n\n\n\n Journal of Chromatography A, (0). 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wang_rapid_2014,\n\ttitle = {Rapid {Quantification} of {Highly} {Polar} {Trimethyl} {Phosphate} in {Wastewater} via {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S002196731400171X},\n\tdoi = {10.1016/j.chroma.2014.01.076},\n\tnumber = {0},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Wang, Xiaowei and Liu, Jingfu and Liu, Charles C. and Zhang, Jing and Shao, Bing and Liu, Liping and Zhang, Nina},\n\tyear = {2014},\n\tkeywords = {Direct analysis real-time tandem mass spectrometry, Environmental water, Organophosphours flame retardant, Trimethyl phosphate},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Letter: Characterization of volatile and semi-volatile compounds in green and fermented leaves of Bergenia crassifolia L. by GC-MS and ID-CUBE DART-HRMS.\n \n \n \n\n\n \n Chernetsova, E.; Shikov, A.; Crawford, E.; Grashorn, S.; Laakso, I.; Pozharitskaya, O.; Makarov, V.; Hiltunen, R.; Galambosi, B.; and Morlock, G.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 20: 0–0. 2014.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{chernetsova_letter:_2014,\n\ttitle = {Letter: {Characterization} of volatile and semi-volatile compounds in green and fermented leaves of {Bergenia} crassifolia {L}. by {GC}-{MS} and {ID}-{CUBE} {DART}-{HRMS}},\n\tvolume = {20},\n\tissn = {1469-0667},\n\tdoi = {http://dx.doi.org/10.1255/ejms.1252},\n\tabstract = {Chemical compositions of volatile and semi-volatile components in green and fermented leaves of Bergenia crassifolia L. were studied. Leaf components were identified using gas chromatography with low resolution mass spectrometry and direct analysis in real time (DART) high resolution mass spectrometry with an ID-CUBE ion source. Phytol, nerolidol, geraniol, linalool, α-bisabolol, α-bisabololoxide B, α-cadinol, δ-cadinene, α-terpineol, and several other marker compounds of special interest were defined, for which the process of fermentation significantly changed their content in the leaves. Low resolution EI GC-MS and ID-CUBE DART-HRMS were found to be complementary methods, as they provide different information, helpful to increase the confidence of identification.},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Chernetsova, E. and Shikov, A. and Crawford, E. and Grashorn, S. and Laakso, I. and Pozharitskaya, O. and Makarov, V. and Hiltunen, R. and Galambosi, B. and Morlock, G.},\n\tyear = {2014},\n\tpages = {0--0},\n}\n\n\n\n
\n
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\n Chemical compositions of volatile and semi-volatile components in green and fermented leaves of Bergenia crassifolia L. were studied. Leaf components were identified using gas chromatography with low resolution mass spectrometry and direct analysis in real time (DART) high resolution mass spectrometry with an ID-CUBE ion source. Phytol, nerolidol, geraniol, linalool, α-bisabolol, α-bisabololoxide B, α-cadinol, δ-cadinene, α-terpineol, and several other marker compounds of special interest were defined, for which the process of fermentation significantly changed their content in the leaves. Low resolution EI GC-MS and ID-CUBE DART-HRMS were found to be complementary methods, as they provide different information, helpful to increase the confidence of identification.\n
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\n \n\n \n \n \n \n \n \n High-mass cluster ions of ionic liquids in positive-ion and negative-ion DART-MS and their application for wide-range mass calibrations.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–10. March 2014.\n \n\n\n\n
\n\n\n\n \n \n \"High-massPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{gross_high-mass_2014,\n\ttitle = {High-mass cluster ions of ionic liquids in positive-ion and negative-ion {DART}-{MS} and their application for wide-range mass calibrations},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-014-7720-0},\n\tdoi = {10.1007/s00216-014-7720-0},\n\tabstract = {Eight ionic liquids (ILs) are subjected to both positive-ion and negative-ion direct analyses in real time (DART) Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS). First, their ability to deliver evenly distributed cluster ion series covering a wide m/z range is explored. Then, one of the ILs exhibiting particularly useful cluster ion series in either ion polarity is applied for mass calibration. Using 1-butyl-3-methylimidazolium tricyanomethide delivers positive cluster ions suitable for mass calibration in the m/z 100–4,000 range and covers the m/z 100–2,000 range in negative-ion DART-MS. The corresponding mass reference lists are provided for either polarity. Furthermore, based on 1-butyl-3-methylimidazolium tricyanomethide, a high-mass record of m/z {\\textgreater} 5,000 for positive-ion DART-MS is presented. The mass calibration procedure is finally validated by application to established standard compounds such as polydimethylsiloxanes, perfluorononanoic acid, and Ultramark 1621, a mixture of hexakis (fluoroalkoxy) phosphazenes. Further proof is presented by consistent exact mass differences between adjacent cluster ions.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = mar,\n\tyear = {2014},\n\tkeywords = {Accurate mass, Cluster ions, Direct analysis in real time (DART), FT-ICR–MS, High-mass record, Ionic liquids, Mass calibration, mass spectrometry},\n\tpages = {1--10},\n}\n\n\n\n
\n
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\n Eight ionic liquids (ILs) are subjected to both positive-ion and negative-ion direct analyses in real time (DART) Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS). First, their ability to deliver evenly distributed cluster ion series covering a wide m/z range is explored. Then, one of the ILs exhibiting particularly useful cluster ion series in either ion polarity is applied for mass calibration. Using 1-butyl-3-methylimidazolium tricyanomethide delivers positive cluster ions suitable for mass calibration in the m/z 100–4,000 range and covers the m/z 100–2,000 range in negative-ion DART-MS. The corresponding mass reference lists are provided for either polarity. Furthermore, based on 1-butyl-3-methylimidazolium tricyanomethide, a high-mass record of m/z \\textgreater 5,000 for positive-ion DART-MS is presented. The mass calibration procedure is finally validated by application to established standard compounds such as polydimethylsiloxanes, perfluorononanoic acid, and Ultramark 1621, a mixture of hexakis (fluoroalkoxy) phosphazenes. Further proof is presented by consistent exact mass differences between adjacent cluster ions.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry, a process analytical technology tool for real-time process monitoring in botanical drug manufacturing.\n \n \n \n \n\n\n \n Wang, L.; Zeng, S.; Chen, T.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, (0). 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wang_direct_2014,\n\ttitle = {Direct analysis in real time mass spectrometry, a process analytical technology tool for real-time process monitoring in botanical drug manufacturing},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708513006195},\n\tdoi = {10.1016/j.jpba.2013.12.034},\n\tabstract = {Abstract\nA promising process analytical technology (PAT) tool has been introduced for batch processes monitoring. Direct analysis in real time mass spectrometry (DART-MS), a means of rapid fingerprint analysis, was applied to a percolation process with multi-constituent substances for an anti-cancer botanical preparation. Fifteen batches were carried out, including ten normal operations and five abnormal batches with artificial variations. The obtained multivariate data were analyzed by a multi-way partial least squares (MPLS) model. Control trajectories were derived from eight normal batches, and the qualification was tested by R2 and Q2. Accuracy and diagnosis capability of the batch model were then validated by the remaining batches. Assisted with high performance liquid chromatography (HPLC) determination, process faults were explained by corresponding variable contributions. Furthermore, a batch level model was developed to compare and assess the model performance. The present study has demonstrated that DART-MS is very promising in process monitoring in botanical manufacturing. Compared with general PAT tools, DART-MS offers a particular account on effective compositions and can be potentially used to improve batch quality and process consistency of samples in complex matrices},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Wang, Lu and Zeng, Shanshan and Chen, Teng and Qu, Haibin},\n\tyear = {2014},\n\tkeywords = {Batch processes control, Botanical drugs, Direct analysis in real time mass spectrometry, Multivariate batch analysis, Percolation process},\n}\n\n\n\n
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\n Abstract A promising process analytical technology (PAT) tool has been introduced for batch processes monitoring. Direct analysis in real time mass spectrometry (DART-MS), a means of rapid fingerprint analysis, was applied to a percolation process with multi-constituent substances for an anti-cancer botanical preparation. Fifteen batches were carried out, including ten normal operations and five abnormal batches with artificial variations. The obtained multivariate data were analyzed by a multi-way partial least squares (MPLS) model. Control trajectories were derived from eight normal batches, and the qualification was tested by R2 and Q2. Accuracy and diagnosis capability of the batch model were then validated by the remaining batches. Assisted with high performance liquid chromatography (HPLC) determination, process faults were explained by corresponding variable contributions. Furthermore, a batch level model was developed to compare and assess the model performance. The present study has demonstrated that DART-MS is very promising in process monitoring in botanical manufacturing. Compared with general PAT tools, DART-MS offers a particular account on effective compositions and can be potentially used to improve batch quality and process consistency of samples in complex matrices\n
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\n \n\n \n \n \n \n \n \n Ambient Surface Analysis of Organic Monolayers using Direct Analysis in Real Time Orbitrap Mass Spectrometry.\n \n \n \n \n\n\n \n Manova, R. K.; Joshi, S.; Debrassi, A.; Bhairamadgi, N. S.; Roeven, E.; Gagnon, J.; Tahir, M. N.; Claassen, F. W.; Scheres, L. M.; Wennekes, T.; Schroën, K.; van Beek, T. A.; Zuilhof, H.; and Nielen, M. W. F.\n\n\n \n\n\n\n Analytical Chemistry, 86(5): 2403–2411. January 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{manova_ambient_2014,\n\ttitle = {Ambient {Surface} {Analysis} of {Organic} {Monolayers} using {Direct} {Analysis} in {Real} {Time} {Orbitrap} {Mass} {Spectrometry}},\n\tvolume = {86},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac4031626},\n\tdoi = {10.1021/ac4031626},\n\tabstract = {A better characterization of nanometer-thick organic layers (monolayers) as used for engineering surface properties, biosensing, nanomedicine, and smart materials will widen their application. The aim of this study was to develop direct analysis in real time high-resolution mass spectrometry (DART-HRMS) into a new and complementary analytical tool for characterizing organic monolayers. To assess the scope and formulate general interpretation rules, DART-HRMS was used to analyze a diverse set of monolayers having different chemistries (amides, esters, amines, acids, alcohols, alkanes, ethers, thioethers, polymers, sugars) on five different substrates (Si, Si3N4, glass, Al2O3, Au). The substrate did not play a major role except in the case of gold, for which breaking of the weak Au?S bond that tethers the monolayer to the surface, was observed. For monolayers with stronger covalent interfacial bonds, fragmentation around terminal groups was found. For ester and amide-terminated monolayers, in situ hydrolysis during DART resulted in the detection of ions characteristic of the terminal groups (alcohol, amine, carboxylic acid). For ether and thioether-terminated layers, scission of C?O or C?S bonds also led to the release of the terminal part of the monolayer in a predictable manner. Only the spectra of alkane monolayers could not be interpreted. DART-HRMS allowed for the analysis of and distinction between monolayers containing biologically relevant mono or disaccharides. Overall, DART-HRMS is a promising surface analysis technique that combines detailed structural information on nanomaterials and ultrathin films with fast analyses under ambient conditions.},\n\tnumber = {5},\n\turldate = {2014-03-31},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Manova, Radostina K. and Joshi, Sweccha and Debrassi, Aline and Bhairamadgi, Nagendra S. and Roeven, Esther and Gagnon, Jacinthe and Tahir, Muhammad N. and Claassen, Frank W. and Scheres, Luc M.W. and Wennekes, Tom and Schroën, Karin and van Beek, Teris A. and Zuilhof, Han and Nielen, Michel W. F.},\n\tmonth = jan,\n\tyear = {2014},\n\tpages = {2403--2411},\n}\n\n\n\n
\n
\n\n\n
\n A better characterization of nanometer-thick organic layers (monolayers) as used for engineering surface properties, biosensing, nanomedicine, and smart materials will widen their application. The aim of this study was to develop direct analysis in real time high-resolution mass spectrometry (DART-HRMS) into a new and complementary analytical tool for characterizing organic monolayers. To assess the scope and formulate general interpretation rules, DART-HRMS was used to analyze a diverse set of monolayers having different chemistries (amides, esters, amines, acids, alcohols, alkanes, ethers, thioethers, polymers, sugars) on five different substrates (Si, Si3N4, glass, Al2O3, Au). The substrate did not play a major role except in the case of gold, for which breaking of the weak Au?S bond that tethers the monolayer to the surface, was observed. For monolayers with stronger covalent interfacial bonds, fragmentation around terminal groups was found. For ester and amide-terminated monolayers, in situ hydrolysis during DART resulted in the detection of ions characteristic of the terminal groups (alcohol, amine, carboxylic acid). For ether and thioether-terminated layers, scission of C?O or C?S bonds also led to the release of the terminal part of the monolayer in a predictable manner. Only the spectra of alkane monolayers could not be interpreted. DART-HRMS allowed for the analysis of and distinction between monolayers containing biologically relevant mono or disaccharides. Overall, DART-HRMS is a promising surface analysis technique that combines detailed structural information on nanomaterials and ultrathin films with fast analyses under ambient conditions.\n
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\n \n\n \n \n \n \n \n \n Rapid Process Development of Chromatographic Process Using Direct Analysis in Real Time Mass Spectrometry as a Process Analytical Technology Tool.\n \n \n \n \n\n\n \n Yan, B.; Chen, T.; Xu, Z.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, (0). 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{yan_rapid_2014,\n\ttitle = {Rapid {Process} {Development} of {Chromatographic} {Process} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} as a {Process} {Analytical} {Technology} {Tool}},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708514000703},\n\tdoi = {10.1016/j.jpba.2014.01.033},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Yan, Binjun and Chen, Teng and Xu, Zhilin and Qu, Haibin},\n\tyear = {2014},\n\tkeywords = {Chromatographic process, Direct analysis in real time mass spectrometry, Ginkgolides, Process analytical technology, Quality by design, Rapid process development},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Determination of the aflatoxin AFB1 from corn by direct analysis in real time – mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Busman, M.; Liu, J.; Zhong, H.; Bobell, J. R.; and Maragos, C. M.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A,null–null. March 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{busman_determination_2014,\n\ttitle = {Determination of the aflatoxin {AFB1} from corn by direct analysis in real time – mass spectrometry ({DART}-{MS})},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2014.900572},\n\tdoi = {10.1080/19440049.2014.900572},\n\tabstract = {Abstract Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for screening of aflatoxins from a variety of surfaces and the rapid quantitative analysis of a common form of aflatoxin, AFB1, extracted from corn. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of aflatoxin AFB1. 84:16 acetonitrile water extracts of corn were analyzed by DART-MS. The lowest calibration level (LCL) for aflatoxin AFB1 was 4 ?g/kg. Quantitative analysis was performed with the use of matrix-matched standards employing the 13C-labeled internal standard for AFB1. DART-MS of spiked corn extracts gave linear response of the range 4?1000 ?g/kg. Good recoveries (94?110\\%) and repeatabilities (RSD 0.7?6.9\\%) were obtained at spiking levels of 20 and 100 ?g/kg with use of an isotope dilution technique. Trueness of data obtained for AFB1 in maize by DART-MS was demonstrated by analysis of corn certified reference materials.},\n\turldate = {2014-03-11},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Busman, Mark and Liu, Jihong and Zhong, Hongjian and Bobell, John R. and Maragos, Chris M.},\n\tmonth = mar,\n\tyear = {2014},\n\tpages = {null--null},\n}\n\n\n\n
\n
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\n Abstract Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for screening of aflatoxins from a variety of surfaces and the rapid quantitative analysis of a common form of aflatoxin, AFB1, extracted from corn. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of aflatoxin AFB1. 84:16 acetonitrile water extracts of corn were analyzed by DART-MS. The lowest calibration level (LCL) for aflatoxin AFB1 was 4 ?g/kg. Quantitative analysis was performed with the use of matrix-matched standards employing the 13C-labeled internal standard for AFB1. DART-MS of spiked corn extracts gave linear response of the range 4?1000 ?g/kg. Good recoveries (94?110%) and repeatabilities (RSD 0.7?6.9%) were obtained at spiking levels of 20 and 100 ?g/kg with use of an isotope dilution technique. Trueness of data obtained for AFB1 in maize by DART-MS was demonstrated by analysis of corn certified reference materials.\n
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\n \n\n \n \n \n \n \n \n Ionization characteristics of amino acids in direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Sekimoto, K.; Sakakura, M.; Kawamukai, T.; Hike, H.; Shiota, T.; Usui, F.; Bando, Y.; and Takayama, M.\n\n\n \n\n\n\n Analyst. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"IonizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sekimoto_ionization_2014,\n\ttitle = {Ionization characteristics of amino acids in direct analysis in real time mass spectrometry},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN02193A},\n\tdoi = {10.1039/C3AN02193A},\n\tabstract = {The positive and negative ionization characteristics of 20 different [small alpha]-amino acids were investigated in Direct Analysis in Real Time (DART) mass spectrometry. Almost all of the amino acids M were ionized to generate the (de)protonated analytes [M +/- H]+/- via proton transfer reactions with the typical background ions H3O+(H2O)n and O2?- and resonant electron capture by M. The application of DART to amino acids also resulted in molecular ion formation, fragmentation, oxidations involving oxygen attachment and hydrogen loss, and formation of adducts [M + R]- with negative background ions R- (O2?-, HCO2-, NO2- and COO-(COOH)), depending on the physicochemical and/or structural properties of the individual amino acid. The relationship between each amino acid and the ionization reactions observed suggested that fragmentation can be attributed to pyrolysis during analyte desorption, as well as excess energy obtained via (de)protonation. Oxidation and [M + R]- adduct formation, in contrast, most likely originate from reactions with active oxygen such as hydroxyl radical HO?, indicating that the typical background neutral species involved in analyte ionization in DART contain HO?.},\n\tjournal = {Analyst},\n\tauthor = {Sekimoto, Kanako and Sakakura, Motoshi and Kawamukai, Takatomo and Hike, Hiroshi and Shiota, Teruhisa and Usui, Fumihiko and Bando, Yasuhiko and Takayama, Mitsuo},\n\tyear = {2014},\n}\n\n\n\n
\n
\n\n\n
\n The positive and negative ionization characteristics of 20 different [small alpha]-amino acids were investigated in Direct Analysis in Real Time (DART) mass spectrometry. Almost all of the amino acids M were ionized to generate the (de)protonated analytes [M +/- H]+/- via proton transfer reactions with the typical background ions H3O+(H2O)n and O2?- and resonant electron capture by M. The application of DART to amino acids also resulted in molecular ion formation, fragmentation, oxidations involving oxygen attachment and hydrogen loss, and formation of adducts [M + R]- with negative background ions R- (O2?-, HCO2-, NO2- and COO-(COOH)), depending on the physicochemical and/or structural properties of the individual amino acid. The relationship between each amino acid and the ionization reactions observed suggested that fragmentation can be attributed to pyrolysis during analyte desorption, as well as excess energy obtained via (de)protonation. Oxidation and [M + R]- adduct formation, in contrast, most likely originate from reactions with active oxygen such as hydroxyl radical HO?, indicating that the typical background neutral species involved in analyte ionization in DART contain HO?.\n
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\n \n\n \n \n \n \n \n \n Recent advances in forensic drug analysis by DART-MS.\n \n \n \n \n\n\n \n Lesiak, A. D; and Shepard, J. R.\n\n\n \n\n\n\n Bioanalysis, 6(6): 819–842. March 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RecentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_recent_2014,\n\ttitle = {Recent advances in forensic drug analysis by {DART}-{MS}},\n\tvolume = {6},\n\tissn = {1757-6180},\n\turl = {http://dx.doi.org/10.4155/bio.14.31},\n\tdoi = {10.4155/bio.14.31},\n\tabstract = {Mass spectrometry methods play a major role in many forensic applications. While gas chromatography–mass spectrometry methods are commonly used in crime laboratories and enforcement agencies, a variety of advanced techniques are now available that can improve upon standard methods and address emerging issues in forensic science. New mass spectrometry technologies include more versatile ionization sources, allowing the next generation of instrumentation to be more multipurpose and adaptable to the needs of the discipline. Direct analysis in real-time mass spectrometry is an ambient ionization method that allows direct testing of gas, liquid and solid samples without the need for any preparation or extraction, based on thermal desorption and ionization directly from the sample surface. This Review will provide an in-depth description of direct analysis in real-time time-of-flight mass spectrometry as applied to samples relevant to forensic science, with a focus on analysis and characterization related to forensic drug chemistry.},\n\tnumber = {6},\n\turldate = {2014-04-10},\n\tjournal = {Bioanalysis},\n\tauthor = {Lesiak, Ashton D and Shepard, Jason RE},\n\tmonth = mar,\n\tyear = {2014},\n\tpages = {819--842},\n}\n\n\n\n
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\n Mass spectrometry methods play a major role in many forensic applications. While gas chromatography–mass spectrometry methods are commonly used in crime laboratories and enforcement agencies, a variety of advanced techniques are now available that can improve upon standard methods and address emerging issues in forensic science. New mass spectrometry technologies include more versatile ionization sources, allowing the next generation of instrumentation to be more multipurpose and adaptable to the needs of the discipline. Direct analysis in real-time mass spectrometry is an ambient ionization method that allows direct testing of gas, liquid and solid samples without the need for any preparation or extraction, based on thermal desorption and ionization directly from the sample surface. This Review will provide an in-depth description of direct analysis in real-time time-of-flight mass spectrometry as applied to samples relevant to forensic science, with a focus on analysis and characterization related to forensic drug chemistry.\n
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\n \n\n \n \n \n \n \n \n Rapid analysis of Δ-9-tetrahydrocannabinol in hair using direct analysis in real time ambient ionization orbitrap mass spectrometry.\n \n \n \n \n\n\n \n Duvivier, W. F.; van Beek, T. A.; Pennings, E. J. M.; and Nielen, M. W. F.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 28(7): 682–690. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{duvivier_rapid_2014,\n\ttitle = {Rapid analysis of Δ-9-tetrahydrocannabinol in hair using direct analysis in real time ambient ionization orbitrap mass spectrometry},\n\tvolume = {28},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6831},\n\tdoi = {10.1002/rcm.6831},\n\tabstract = {RATIONALE\n\nForensic hair analysis methods are laborious, time-consuming and provide only a rough retrospective estimate of the time of drug intake. Recently, hair imaging methods using matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) were reported, but these methods require the application of MALDI matrix and are performed under vacuum. Direct analysis of entire locks of hair without any sample pretreatment and with improved spatial resolution would thus address a need.\n\nMETHODS\n\nHair samples were attached to stainless steel mesh screens and scanned in the X-direction using direct analysis in real time (DART) ambient ionization orbitrap MS. The DART gas temperature and the accuracy of the probed hair zone were optimized using Δ-9-tetrahydrocannabinol (THC) as a model compound. Since external contamination is a major issue in forensic hair analysis, sub-samples were measured before and after dichloromethane decontamination.\n\nRESULTS\n\nThe relative intensity of the THC signal in spiked blank hair versus that of quinine as the internal standard showed good reproducibility (26\\% RSD) and linearity of the method (R2 = 0.991). With the DART hair scan THC could be detected in hair samples from different chronic cannabis users. The presence of THC was confirmed by quantitative liquid chromatography/tandem mass spectrometry. Zones with different THC content could be clearly distinguished, indicating that the method might be used for retrospective timeline assessments. Detection of THC in decontaminated drug user hair showed that the DART hair scan not only probes THC on the surface of hair, but penetrates deeply enough to measure incorporated THC.\n\nCONCLUSIONS\n\nA new approach in forensic hair analysis has been developed by probing complete locks of hair using DART-MS. Longitudinal scanning enables detection of incorporated compounds and can be used as pre-screening for THC without sample preparation. The method could also be adjusted for the analysis of other drugs of abuse. Copyright © 2014 John Wiley \\& Sons, Ltd.},\n\tnumber = {7},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Duvivier, Wilco F. and van Beek, Teris A. and Pennings, Ed J. M. and Nielen, Michel W. F.},\n\tyear = {2014},\n\tpages = {682--690},\n}\n\n\n\n
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\n RATIONALE Forensic hair analysis methods are laborious, time-consuming and provide only a rough retrospective estimate of the time of drug intake. Recently, hair imaging methods using matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) were reported, but these methods require the application of MALDI matrix and are performed under vacuum. Direct analysis of entire locks of hair without any sample pretreatment and with improved spatial resolution would thus address a need. METHODS Hair samples were attached to stainless steel mesh screens and scanned in the X-direction using direct analysis in real time (DART) ambient ionization orbitrap MS. The DART gas temperature and the accuracy of the probed hair zone were optimized using Δ-9-tetrahydrocannabinol (THC) as a model compound. Since external contamination is a major issue in forensic hair analysis, sub-samples were measured before and after dichloromethane decontamination. RESULTS The relative intensity of the THC signal in spiked blank hair versus that of quinine as the internal standard showed good reproducibility (26% RSD) and linearity of the method (R2 = 0.991). With the DART hair scan THC could be detected in hair samples from different chronic cannabis users. The presence of THC was confirmed by quantitative liquid chromatography/tandem mass spectrometry. Zones with different THC content could be clearly distinguished, indicating that the method might be used for retrospective timeline assessments. Detection of THC in decontaminated drug user hair showed that the DART hair scan not only probes THC on the surface of hair, but penetrates deeply enough to measure incorporated THC. CONCLUSIONS A new approach in forensic hair analysis has been developed by probing complete locks of hair using DART-MS. Longitudinal scanning enables detection of incorporated compounds and can be used as pre-screening for THC without sample preparation. The method could also be adjusted for the analysis of other drugs of abuse. Copyright © 2014 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Mass Spectrometry of Spacecraft Contamination Using Direct Analysis in Real-Time Ion Source.\n \n \n \n \n\n\n \n Anderson, M. S.\n\n\n \n\n\n\n Journal of Spacecraft and Rockets,1–5. January 2014.\n \n\n\n\n
\n\n\n\n \n \n \"MassPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{anderson_mass_2014,\n\ttitle = {Mass {Spectrometry} of {Spacecraft} {Contamination} {Using} {Direct} {Analysis} in {Real}-{Time} {Ion} {Source}},\n\tissn = {0022-4650},\n\turl = {http://dx.doi.org/10.2514/1.A32613},\n\tdoi = {10.2514/1.A32613},\n\tabstract = {Spacecraft contamination was analyzed using mass spectrometry with the direct analysis in real-time ionization source. This source uses metastable helium for soft ionization and to mediate atmospheric desorption of samples into a mass spectrometer. The sampling methodology allows polymers to be assessed for the presence of vacuum labile components. Vacuum labile residues are significant sources of contamination on spacecraft optics, science instruments, and thermal control surfaces. The methodology also provides sensitive analysis of molecular contamination on spacecraft surfaces using existing spacecraft sampling procedures. This provides identification information for a wide range of molecular components including biomarker compounds.\n\n\nRead More: http://arc.aiaa.org/doi/abs/10.2514/1.A32613},\n\turldate = {2014-01-28},\n\tjournal = {Journal of Spacecraft and Rockets},\n\tauthor = {Anderson, Mark S.},\n\tmonth = jan,\n\tyear = {2014},\n\tpages = {1--5},\n}\n\n\n\n
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\n Spacecraft contamination was analyzed using mass spectrometry with the direct analysis in real-time ionization source. This source uses metastable helium for soft ionization and to mediate atmospheric desorption of samples into a mass spectrometer. The sampling methodology allows polymers to be assessed for the presence of vacuum labile components. Vacuum labile residues are significant sources of contamination on spacecraft optics, science instruments, and thermal control surfaces. The methodology also provides sensitive analysis of molecular contamination on spacecraft surfaces using existing spacecraft sampling procedures. This provides identification information for a wide range of molecular components including biomarker compounds. Read More: http://arc.aiaa.org/doi/abs/10.2514/1.A32613\n
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\n \n\n \n \n \n \n \n \n Chapter 18. Enabling Automated Sample Analysis by Direct Analysis in Real Time (DART) Mass Spectrometry.\n \n \n \n \n\n\n \n Musselman, B.; Tice, J.; and Crawford, E.\n\n\n \n\n\n\n In Domin, M.; and Cody, R., editor(s), New Developments in Mass Spectrometry, pages 445–461. Royal Society of Chemistry, Cambridge, 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ChapterPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{musselman_chapter_2014,\n\taddress = {Cambridge},\n\ttitle = {Chapter 18. {Enabling} {Automated} {Sample} {Analysis} by {Direct} {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry}},\n\tisbn = {978-1-84973-926-9},\n\turl = {http://ebook.rsc.org/?DOI=10.1039/9781782628026-00445},\n\tabstract = {Accurate chemical measurements are often generated by using complex sampling systems designed to deliver exact volumes of sample to the site of measurement. Sample preparation for analytical mass spectrometry can be labor intensive even when using robotic sample handling devices. Ambient ionization presents a different sampling challenge for analytical chemist since samples can be analyzed in their original form whether it be a solid or a liquid. The dream of “skip the prep go direct” would be fulfilled if it were possible to completely characterize a sample by simply holding it in the ionizing region and collecting the mass spectrum. This work describes our efforts to design and fabricate an easy-to-use, inexpensive sample presentation system for use with our direct analysis in real time (DART) desorption ionization source. The use of sample-specific experimental modules will be presented along with results from pharmaceutical tablet characterization for detection of trace pesticide residues in foodstuffs.},\n\turldate = {2016-01-28},\n\tbooktitle = {New {Developments} in {Mass} {Spectrometry}},\n\tpublisher = {Royal Society of Chemistry},\n\tauthor = {Musselman, Brian and Tice, Joseph and Crawford, Elizabeth},\n\teditor = {Domin, Marek and Cody, Robert},\n\tyear = {2014},\n\tpages = {445--461},\n}\n\n\n\n
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\n\n\n
\n Accurate chemical measurements are often generated by using complex sampling systems designed to deliver exact volumes of sample to the site of measurement. Sample preparation for analytical mass spectrometry can be labor intensive even when using robotic sample handling devices. Ambient ionization presents a different sampling challenge for analytical chemist since samples can be analyzed in their original form whether it be a solid or a liquid. The dream of “skip the prep go direct” would be fulfilled if it were possible to completely characterize a sample by simply holding it in the ionizing region and collecting the mass spectrum. This work describes our efforts to design and fabricate an easy-to-use, inexpensive sample presentation system for use with our direct analysis in real time (DART) desorption ionization source. The use of sample-specific experimental modules will be presented along with results from pharmaceutical tablet characterization for detection of trace pesticide residues in foodstuffs.\n
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\n \n\n \n \n \n \n \n \n Chapter 2. Direct Analysis in Real Time.\n \n \n \n \n\n\n \n Cody, R. B.; and Dane, A. J.\n\n\n \n\n\n\n In Domin, M.; and Cody, R., editor(s), New Developments in Mass Spectrometry, pages 23–57. Royal Society of Chemistry, Cambridge, 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ChapterPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@incollection{cody_chapter_2014,\n\taddress = {Cambridge},\n\ttitle = {Chapter 2. {Direct} {Analysis} in {Real} {Time}},\n\tisbn = {978-1-84973-926-9},\n\tshorttitle = {Chapter 2. {Direct} {Analysis} in {Real} {Time} ({DART}\\&lt;sup xmlns="http},\n\turl = {http://ebook.rsc.org/?DOI=10.1039/9781782628026-00023},\n\tabstract = {DART was developed in late 2002 and early 2003 and was introduced in 2005 as the first commercially available ambient ionization source. DART can be classified as a plasma-based ambient ionization source: it is a form of atmospheric-pressure chemical ionization where the initial ion formation step is Penning ionization of the analyte and/or atmospheric gases. An extraordinarily broad range of applications have been reported ranging from forensics to natural products, material characterization, pharmaceutical analysis, art conservation, food and beverage analysis, environmental investigations and consumer product safety.},\n\turldate = {2016-01-28},\n\tbooktitle = {New {Developments} in {Mass} {Spectrometry}},\n\tpublisher = {Royal Society of Chemistry},\n\tauthor = {Cody, Robert B. and Dane, A. John},\n\teditor = {Domin, Marek and Cody, Robert},\n\tyear = {2014},\n\tpages = {23--57},\n}\n\n\n\n
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\n DART was developed in late 2002 and early 2003 and was introduced in 2005 as the first commercially available ambient ionization source. DART can be classified as a plasma-based ambient ionization source: it is a form of atmospheric-pressure chemical ionization where the initial ion formation step is Penning ionization of the analyte and/or atmospheric gases. An extraordinarily broad range of applications have been reported ranging from forensics to natural products, material characterization, pharmaceutical analysis, art conservation, food and beverage analysis, environmental investigations and consumer product safety.\n
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\n \n\n \n \n \n \n \n \n Chapter 1. An Introduction to Ambient Ionization Mass Spectrometry.\n \n \n \n \n\n\n \n Monge, M. E.; and Fernández, F. M.\n\n\n \n\n\n\n In Domin, M.; and Cody, R., editor(s), New Developments in Mass Spectrometry, pages 1–22. Royal Society of Chemistry, Cambridge, 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ChapterPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{monge_chapter_2014,\n\taddress = {Cambridge},\n\ttitle = {Chapter 1. {An} {Introduction} to {Ambient} {Ionization} {Mass} {Spectrometry}},\n\tisbn = {978-1-84973-926-9},\n\turl = {http://ebook.rsc.org/?DOI=10.1039/9781782628026-00001},\n\tabstract = {Ambient ionization/sampling mass spectrometry (or “ambient mass spectrometry” for short) is a subdiscipline of mass spectrometry that enables direct, high-throughput, surface analysis of native samples. Two flagship ambient mass spectrometry techniques: direct analysis in real time (DART) and desorption electrospray ionization (DESI) have not only enabled experiments previously not possible, but have also been surrounded by a plethora of other techniques, each with their own advantages and specific applications. This chapter introduces the kind of experiments that are the cornerstone of ambient mass spectrometry, and provides a set of select examples to introduce the reader new to the area to the field.},\n\turldate = {2016-01-28},\n\tbooktitle = {New {Developments} in {Mass} {Spectrometry}},\n\tpublisher = {Royal Society of Chemistry},\n\tauthor = {Monge, María Eugenia and Fernández, Facundo M.},\n\teditor = {Domin, Marek and Cody, Robert},\n\tyear = {2014},\n\tpages = {1--22},\n}\n\n\n\n
\n
\n\n\n
\n Ambient ionization/sampling mass spectrometry (or “ambient mass spectrometry” for short) is a subdiscipline of mass spectrometry that enables direct, high-throughput, surface analysis of native samples. Two flagship ambient mass spectrometry techniques: direct analysis in real time (DART) and desorption electrospray ionization (DESI) have not only enabled experiments previously not possible, but have also been surrounded by a plethora of other techniques, each with their own advantages and specific applications. This chapter introduces the kind of experiments that are the cornerstone of ambient mass spectrometry, and provides a set of select examples to introduce the reader new to the area to the field.\n
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\n \n\n \n \n \n \n \n \n Humidity Affects Relative Ion Abundance in Direct Analysis in Real Time Mass Spectrometry of Hexamethylene Triperoxide Diamine.\n \n \n \n \n\n\n \n Newsome, G. A.; Ackerman, L. K.; and Johnson, K. J.\n\n\n \n\n\n\n Analytical Chemistry, 86(24): 11977–11980. December 2014.\n \n\n\n\n
\n\n\n\n \n \n \"HumidityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{newsome_humidity_2014,\n\ttitle = {Humidity {Affects} {Relative} {Ion} {Abundance} in {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} of {Hexamethylene} {Triperoxide} {Diamine}},\n\tvolume = {86},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac503652x},\n\tdoi = {10.1021/ac503652x},\n\tabstract = {Unstable explosive hexamethylene triperoxide diamine (HMTD) is dangerous in quantity and benefits from the minimal sampling handling associated with atmospheric pressure chemical ionization for mass spectral analysis. Seasonal variation observed in HMTD mass spectra suggested a humidity dependence. Therefore, direct analysis in real time (DART) ionization mass spectra were acquired at a range of humidity values. An enclosure was designed to fit around the ion source and mass spectrometer inlet at atmospheric pressure. The enclosure was supplied with controlled amounts of humidified air from a test atmosphere generator to create programmable conditions for ambient analysis. The relative abundance and fragmentation of analyte ions were observed to change reliably with changing humidity values and, to a lesser degree, temperature. Humidity at such plasma-based ion sources should be regulated to avoid ∼90\\% shifts in relative ion abundance and provide stability and reproducibility of HMTD analysis.},\n\tlanguage = {en},\n\tnumber = {24},\n\turldate = {2016-01-28},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Newsome, G. Asher and Ackerman, Luke K. and Johnson, Kevin J.},\n\tmonth = dec,\n\tyear = {2014},\n\tpages = {11977--11980},\n}\n\n\n\n
\n
\n\n\n
\n Unstable explosive hexamethylene triperoxide diamine (HMTD) is dangerous in quantity and benefits from the minimal sampling handling associated with atmospheric pressure chemical ionization for mass spectral analysis. Seasonal variation observed in HMTD mass spectra suggested a humidity dependence. Therefore, direct analysis in real time (DART) ionization mass spectra were acquired at a range of humidity values. An enclosure was designed to fit around the ion source and mass spectrometer inlet at atmospheric pressure. The enclosure was supplied with controlled amounts of humidified air from a test atmosphere generator to create programmable conditions for ambient analysis. The relative abundance and fragmentation of analyte ions were observed to change reliably with changing humidity values and, to a lesser degree, temperature. Humidity at such plasma-based ion sources should be regulated to avoid ∼90% shifts in relative ion abundance and provide stability and reproducibility of HMTD analysis.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time – High resolution mass spectrometry as a valuable tool for the pharmaceutical drug development.\n \n \n \n \n\n\n \n Srbek, J.; Klejdus, B.; Douša, M.; Břicháč, J.; Stasiak, P.; Reitmajer, J.; and Nováková, L.\n\n\n \n\n\n\n Talanta, 130: 518–526. December 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{srbek_direct_2014,\n\ttitle = {Direct analysis in real time – {High} resolution mass spectrometry as a valuable tool for the pharmaceutical drug development},\n\tvolume = {130},\n\tissn = {00399140},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0039914014005608},\n\tdoi = {10.1016/j.talanta.2014.07.007},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Talanta},\n\tauthor = {Srbek, Jan and Klejdus, Bořivoj and Douša, Michal and Břicháč, Jiří and Stasiak, Pawel and Reitmajer, Josef and Nováková, Lucie},\n\tmonth = dec,\n\tyear = {2014},\n\tpages = {518--526},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Solid phase microextraction (SPME)-transmission mode (TM) pushes down detection limits in direct analysis in real time (DART).\n \n \n \n \n\n\n \n Gómez-Ríos, G. A.; and Pawliszyn, J.\n\n\n \n\n\n\n Chem. Commun., 50(85): 12937–12940. August 2014.\n \n\n\n\n
\n\n\n\n \n \n \"SolidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{gomez-rios_solid_2014,\n\ttitle = {Solid phase microextraction ({SPME})-transmission mode ({TM}) pushes down detection limits in direct analysis in real time ({DART})},\n\tvolume = {50},\n\tissn = {1359-7345, 1364-548X},\n\turl = {http://xlink.rsc.org/?DOI=C4CC05301J},\n\tdoi = {10.1039/C4CC05301J},\n\tlanguage = {en},\n\tnumber = {85},\n\turldate = {2016-01-28},\n\tjournal = {Chem. Commun.},\n\tauthor = {Gómez-Ríos, Germán Augusto and Pawliszyn, Janusz},\n\tmonth = aug,\n\tyear = {2014},\n\tpages = {12937--12940},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Desorption atmospheric pressure photoionization and direct analysis in real time coupled with travelling wave ion mobility mass spectrometry: DAPPI/DART-TWIM-MS.\n \n \n \n \n\n\n \n Räsänen, R.; Dwivedi, P.; Fernández, F. M.; and Kauppila, T. J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 28(21): 2325–2336. November 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DesorptionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{rasanen_desorption_2014,\n\ttitle = {Desorption atmospheric pressure photoionization and direct analysis in real time coupled with travelling wave ion mobility mass spectrometry: {DAPPI}/{DART}-{TWIM}-{MS}},\n\tvolume = {28},\n\tissn = {09514198},\n\tshorttitle = {Desorption atmospheric pressure photoionization and direct analysis in real time coupled with travelling wave ion mobility mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/rcm.7028},\n\tdoi = {10.1002/rcm.7028},\n\tlanguage = {en},\n\tnumber = {21},\n\turldate = {2016-01-28},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Räsänen, Riikka-Marjaana and Dwivedi, Prabha and Fernández, Facundo M. and Kauppila, Tiina J.},\n\tmonth = nov,\n\tyear = {2014},\n\tpages = {2325--2336},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Chapter 3. Ionization Mechanisms of Direct Analysis in Real Time (DART).\n \n \n \n \n\n\n \n Song, L.; and Bartmess, J. E.\n\n\n \n\n\n\n In Domin, M.; and Cody, R., editor(s), New Developments in Mass Spectrometry, pages 58–103. Royal Society of Chemistry, Cambridge, 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ChapterPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{song_chapter_2014,\n\taddress = {Cambridge},\n\ttitle = {Chapter 3. {Ionization} {Mechanisms} of {Direct} {Analysis} in {Real} {Time} ({DART})},\n\tisbn = {978-1-84973-926-9},\n\turl = {http://ebook.rsc.org/?DOI=10.1039/9781782628026-00058},\n\tabstract = {The ion and neutral chemistry that occurs in the DART source, starting with the DART gas metastables, to the range of analyte ions produced, is examined, in order to be able to predict the outcome of analysis for a variety of compounds. Both positive and negative modes, and various DART gases (He, Ar, and N2) are discussed.},\n\turldate = {2016-01-28},\n\tbooktitle = {New {Developments} in {Mass} {Spectrometry}},\n\tpublisher = {Royal Society of Chemistry},\n\tauthor = {Song, Liguo and Bartmess, John E.},\n\teditor = {Domin, Marek and Cody, Robert},\n\tyear = {2014},\n\tpages = {58--103},\n}\n\n\n\n
\n
\n\n\n
\n The ion and neutral chemistry that occurs in the DART source, starting with the DART gas metastables, to the range of analyte ions produced, is examined, in order to be able to predict the outcome of analysis for a variety of compounds. Both positive and negative modes, and various DART gases (He, Ar, and N2) are discussed.\n
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\n \n\n \n \n \n \n \n \n Detection of trace palladium by direct analysis in real time mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Zhang, Q.; Bethke, J.; and Patek, M.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 374: 39–43. December 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhang_detection_2014,\n\ttitle = {Detection of trace palladium by direct analysis in real time mass spectrometry ({DART}-{MS})},\n\tvolume = {374},\n\tissn = {13873806},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1387380614004370},\n\tdoi = {10.1016/j.ijms.2014.10.014},\n\tabstract = {A detection method for palladium by direct analysis in real time (DART-MS) was developed. The method was used for the detection and semi-quantification of palladium in compound samples for which palladium was used during synthesis from compound collections in early drug discovery. The samples containing palladium were mixed with the chelating agent 4-methyl-piperazine-1-carbodithioate and a palladium chelating complex was subsequently formed and detected by DART-MS. The distinct isotopic pattern of palladium was observed and used for its qualitative identification. Semi-quantification was performed based on the peak areas of the extracted ion currents for the four most abundant isotope peaks at m/z 456, 457, 459 and 461. The limit of detection for this method was observed to be 1.2 μM (120 ppb). With DART ionization, rapid analysis of 18 s per sample was achieved with low carryover. Different solvents and chelating agents were also tested for this analysis, and satisfactory signal intensity was obtained using both volatile and nonvolatile solvents.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Zhang, Qingfen and Bethke, Jennifer and Patek, Marcel},\n\tmonth = dec,\n\tyear = {2014},\n\tpages = {39--43},\n}\n\n\n\n
\n
\n\n\n
\n A detection method for palladium by direct analysis in real time (DART-MS) was developed. The method was used for the detection and semi-quantification of palladium in compound samples for which palladium was used during synthesis from compound collections in early drug discovery. The samples containing palladium were mixed with the chelating agent 4-methyl-piperazine-1-carbodithioate and a palladium chelating complex was subsequently formed and detected by DART-MS. The distinct isotopic pattern of palladium was observed and used for its qualitative identification. Semi-quantification was performed based on the peak areas of the extracted ion currents for the four most abundant isotope peaks at m/z 456, 457, 459 and 461. The limit of detection for this method was observed to be 1.2 μM (120 ppb). With DART ionization, rapid analysis of 18 s per sample was achieved with low carryover. Different solvents and chelating agents were also tested for this analysis, and satisfactory signal intensity was obtained using both volatile and nonvolatile solvents.\n
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\n \n\n \n \n \n \n \n \n Food Packaging: Strategies for Rapid Phthalate Screening in Real Time by Ambient Ionization Tandem Mass Spectrometry.\n \n \n \n \n\n\n \n Crawford, E.; Crone, C.; Horner, J.; and Musselman, B.\n\n\n \n\n\n\n In Benvenuto, M. A.; Ahuja, S.; Duncan, T. V.; Noonan, G. O.; Roberts-Kirchhoff, E. S.; and American Chemical Society, editor(s), Chemistry of Food, Food Supplements, and Food Contact Materials: From Production to Plate, volume 1159, pages 71–85. American Chemical Society, Washington, DC, January 2014.\n \n\n\n\n
\n\n\n\n \n \n \"FoodPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{crawford_food_2014,\n\taddress = {Washington, DC},\n\ttitle = {Food {Packaging}: {Strategies} for {Rapid} {Phthalate} {Screening} in {Real} {Time} by {Ambient} {Ionization} {Tandem} {Mass} {Spectrometry}},\n\tvolume = {1159},\n\tisbn = {978-0-8412-2952-5 978-0-8412-2953-2},\n\tshorttitle = {Food {Packaging}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/bk-2014-1159.ch006},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tbooktitle = {Chemistry of {Food}, {Food} {Supplements}, and {Food} {Contact} {Materials}: {From} {Production} to {Plate}},\n\tpublisher = {American Chemical Society},\n\tauthor = {Crawford, Elizabeth and Crone, Catharina and Horner, Julie and Musselman, Brian},\n\teditor = {Benvenuto, Mark A. and Ahuja, Satinder and Duncan, Timothy V. and Noonan, Gregory O. and Roberts-Kirchhoff, Elizabeth S. and {American Chemical Society}},\n\tmonth = jan,\n\tyear = {2014},\n\tpages = {71--85},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Characterization of mustard seeds and paste by DART ionization with time-of-flight mass spectrometry: Mustard-DART-MS.\n \n \n \n \n\n\n \n Prchalová, J.; Kovařík, F.; Ševčík, R.; Čížková, H.; and Rajchl, A.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 49(9): 811–818. September 2014.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{prchalova_characterization_2014,\n\ttitle = {Characterization of mustard seeds and paste by {DART} ionization with time-of-flight mass spectrometry: {Mustard}-{DART}-{MS}},\n\tvolume = {49},\n\tissn = {10765174},\n\tshorttitle = {Characterization of mustard seeds and paste by {DART} ionization with time-of-flight mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/jms.3419},\n\tdoi = {10.1002/jms.3419},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Prchalová, Jana and Kovařík, František and Ševčík, Rudolf and Čížková, Helena and Rajchl, Aleš},\n\tmonth = sep,\n\tyear = {2014},\n\tpages = {811--818},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid identification of traditional Chinese herbal medicine by direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Wang, Y.; Li, C.; Huang, L.; Liu, L.; Guo, Y.; Ma, L.; and Liu, S.\n\n\n \n\n\n\n Analytica Chimica Acta, 845: 70–76. October 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_rapid_2014,\n\ttitle = {Rapid identification of traditional {Chinese} herbal medicine by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {845},\n\tissn = {00032670},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0003267014007272},\n\tdoi = {10.1016/j.aca.2014.06.014},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Wang, Yang and Li, Chunmei and Huang, Liang and Liu, Li and Guo, Yunlong and Ma, Li and Liu, Shuying},\n\tmonth = oct,\n\tyear = {2014},\n\tpages = {70--76},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n On-line coupling of macroporous resin column chromatography with direct analysis in real time mass spectrometry utilizing a surface flowing mode sample holder.\n \n \n \n \n\n\n \n Zeng, S.; Wang, L.; Chen, T.; and Qu, H.\n\n\n \n\n\n\n Analytica Chimica Acta, 811: 43–50. February 2014.\n \n\n\n\n
\n\n\n\n \n \n \"On-linePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zeng_-line_2014,\n\ttitle = {On-line coupling of macroporous resin column chromatography with direct analysis in real time mass spectrometry utilizing a surface flowing mode sample holder},\n\tvolume = {811},\n\tissn = {00032670},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0003267013015286},\n\tdoi = {10.1016/j.aca.2013.12.014},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zeng, Shanshan and Wang, Lu and Chen, Teng and Qu, Haibin},\n\tmonth = feb,\n\tyear = {2014},\n\tkeywords = {Direct analysis in real time mass spectrometry, Macroporous resin column chromatography, On-line monitoring, Panax notoginseng, Surface flowing mode sample holder},\n\tpages = {43--50},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Online Coupling of In-Tube Solid-Phase Microextraction with Direct Analysis in Real Time Mass Spectrometry for Rapid Determination of Triazine Herbicides in Water Using Carbon-Nanotubes-Incorporated Polymer Monolith.\n \n \n \n \n\n\n \n Wang, X.; Li, X.; Li, Z.; Zhang, Y.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical Chemistry, 86(10): 4739–4747. May 2014.\n \n\n\n\n
\n\n\n\n \n \n \"OnlinePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_online_2014,\n\ttitle = {Online {Coupling} of {In}-{Tube} {Solid}-{Phase} {Microextraction} with {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} for {Rapid} {Determination} of {Triazine} {Herbicides} in {Water} {Using} {Carbon}-{Nanotubes}-{Incorporated} {Polymer} {Monolith}},\n\tvolume = {86},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac500382x},\n\tdoi = {10.1021/ac500382x},\n\tlanguage = {en},\n\tnumber = {10},\n\turldate = {2016-01-28},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Wang, Xin and Li, Xianjiang and Li, Ze and Zhang, Yiding and Bai, Yu and Liu, Huwei},\n\tmonth = may,\n\tyear = {2014},\n\tpages = {4739--4747},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Metabolite Profiling by Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n \n\n\n \n Jones, C. M.; Monge, M. E.; and Fernández, F. M.\n\n\n \n\n\n\n In Raftery, D., editor(s), Mass Spectrometry in Metabolomics, volume 1198, pages 275–289. Springer New York, New York, NY, 2014.\n \n\n\n\n
\n\n\n\n \n \n \"MetabolitePaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@incollection{jones_metabolite_2014,\n\taddress = {New York, NY},\n\ttitle = {Metabolite {Profiling} by {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}},\n\tvolume = {1198},\n\tisbn = {978-1-4939-1257-5 978-1-4939-1258-2},\n\turl = {http://link.springer.com/10.1007/978-1-4939-1258-2_18},\n\turldate = {2016-01-28},\n\tbooktitle = {Mass {Spectrometry} in {Metabolomics}},\n\tpublisher = {Springer New York},\n\tauthor = {Jones, Christina M. and Monge, María Eugenia and Fernández, Facundo M.},\n\teditor = {Raftery, Daniel},\n\tyear = {2014},\n\tpages = {275--289},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Wide range mass calibration for negative-ion direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 20(2): 155. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"WidePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{gross_wide_2014,\n\ttitle = {Wide range mass calibration for negative-ion direct analysis in real time mass spectrometry},\n\tvolume = {20},\n\tissn = {1356-1049},\n\turl = {http://www.impublications.com/content/abstract?code=E20_0155},\n\tdoi = {10.1255/ejms.1266},\n\tlanguage = {en},\n\tnumber = {2},\n\turldate = {2016-01-28},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Gross, Jürgen},\n\tyear = {2014},\n\tpages = {155},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry for rapid screening and quantitative determination of cholesterol in egg pasta: Determination of cholesterol in egg pasta.\n \n \n \n \n\n\n \n Al-Balaa, D.; Rajchl, A.; Grégrová, A.; Ševčík, R.; and Čížková, H.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 49(9): 911–917. September 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{al-balaa_dart_2014,\n\ttitle = {{DART} mass spectrometry for rapid screening and quantitative determination of cholesterol in egg pasta: {Determination} of cholesterol in egg pasta},\n\tvolume = {49},\n\tissn = {10765174},\n\tshorttitle = {{DART} mass spectrometry for rapid screening and quantitative determination of cholesterol in egg pasta},\n\turl = {http://doi.wiley.com/10.1002/jms.3465},\n\tdoi = {10.1002/jms.3465},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Al-Balaa, Dania and Rajchl, Aleš and Grégrová, Adéla and Ševčík, Rudolf and Čížková, Helena},\n\tmonth = sep,\n\tyear = {2014},\n\tpages = {911--917},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Application of direct analysis in real time to a multiphase chemical system: Identification of polymeric arsanes generated by reduction of monomethylarsenate with sodium tetrahydroborate.\n \n \n \n \n\n\n \n Pagliano, E.; Onor, M.; McCooeye, M.; D’Ulivo, A.; Sturgeon, R. E.; and Mester, Z.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 371: 42–46. October 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{pagliano_application_2014,\n\ttitle = {Application of direct analysis in real time to a multiphase chemical system: {Identification} of polymeric arsanes generated by reduction of monomethylarsenate with sodium tetrahydroborate},\n\tvolume = {371},\n\tissn = {13873806},\n\tshorttitle = {Application of direct analysis in real time to a multiphase chemical system},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S1387380614003194},\n\tdoi = {10.1016/j.ijms.2014.07.048},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Pagliano, Enea and Onor, Massimo and McCooeye, Margaret and D’Ulivo, Alessandro and Sturgeon, Ralph E. and Mester, Zoltán},\n\tmonth = oct,\n\tyear = {2014},\n\tpages = {42--46},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Combined multivariate data analysis of high-performance thin-layer chromatography fingerprints and direct analysis in real time mass spectra for profiling of natural products like propolis.\n \n \n \n \n\n\n \n Morlock, G. E.; Ristivojevic, P.; and Chernetsova, E. S.\n\n\n \n\n\n\n Journal of Chromatography A, 1328: 104–112. February 2014.\n \n\n\n\n
\n\n\n\n \n \n \"CombinedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{morlock_combined_2014,\n\ttitle = {Combined multivariate data analysis of high-performance thin-layer chromatography fingerprints and direct analysis in real time mass spectra for profiling of natural products like propolis},\n\tvolume = {1328},\n\tissn = {00219673},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0021967313019341},\n\tdoi = {10.1016/j.chroma.2013.12.053},\n\tabstract = {Sophisticated statistical tools are required to extract the full analytical power from high-performance thin-layer chromatography (HPTLC). Especially, the combination of HPTLC fingerprints (image) with chemometrics is rarely used so far. Also, the newly developed, instantaneous direct analysis in real time mass spectrometry (DART-MS) method is perspective for sample characterization and differentiation by multivariate data analysis. This is a first novel study on the differentiation of natural products using a combination of fast fingerprint techniques, like HPTLC and DART-MS, for multivariate data analysis. The results obtained by the chemometric evaluation of HPTLC and DART-MS data provided complementary information. The complexity, expense, and analysis time were significantly reduced due to the use of statistical tools for evaluation of fingerprints. The approach allowed categorizing 91 propolis samples from Germany and other locations based on their phenolic compound profile. A high level of confidence was obtained when combining orthogonal approaches (HPTLC and DART-MS) for ultrafast sample characterization. HPTLC with selective post-chromatographic derivatization provided information on polarity, functional groups and spectral properties of marker compounds, while information on possible elemental formulae of principal components (phenolic markers) was obtained by DART-MS.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Morlock, Gertrud E. and Ristivojevic, Petar and Chernetsova, Elena S.},\n\tmonth = feb,\n\tyear = {2014},\n\tkeywords = {DART-MS, Fingerprint, High-performance thin-layer chromatography, Pattern recognition, Planar chromatography, Propolis},\n\tpages = {104--112},\n}\n\n\n\n
\n
\n\n\n
\n Sophisticated statistical tools are required to extract the full analytical power from high-performance thin-layer chromatography (HPTLC). Especially, the combination of HPTLC fingerprints (image) with chemometrics is rarely used so far. Also, the newly developed, instantaneous direct analysis in real time mass spectrometry (DART-MS) method is perspective for sample characterization and differentiation by multivariate data analysis. This is a first novel study on the differentiation of natural products using a combination of fast fingerprint techniques, like HPTLC and DART-MS, for multivariate data analysis. The results obtained by the chemometric evaluation of HPTLC and DART-MS data provided complementary information. The complexity, expense, and analysis time were significantly reduced due to the use of statistical tools for evaluation of fingerprints. The approach allowed categorizing 91 propolis samples from Germany and other locations based on their phenolic compound profile. A high level of confidence was obtained when combining orthogonal approaches (HPTLC and DART-MS) for ultrafast sample characterization. HPTLC with selective post-chromatographic derivatization provided information on polarity, functional groups and spectral properties of marker compounds, while information on possible elemental formulae of principal components (phenolic markers) was obtained by DART-MS.\n
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\n \n\n \n \n \n \n \n \n An Effective Approach for Coupling Direct Analysis in Real Time with Atmospheric Pressure Drift Tube Ion Mobility Spectrometry.\n \n \n \n \n\n\n \n Keelor, J. D.; Dwivedi, P.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 25(9): 1538–1548. September 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{keelor_effective_2014,\n\ttitle = {An {Effective} {Approach} for {Coupling} {Direct} {Analysis} in {Real} {Time} with {Atmospheric} {Pressure} {Drift} {Tube} {Ion} {Mobility} {Spectrometry}},\n\tvolume = {25},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-014-0926-8},\n\tdoi = {10.1007/s13361-014-0926-8},\n\tlanguage = {en},\n\tnumber = {9},\n\turldate = {2016-01-28},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Keelor, Joel D. and Dwivedi, Prabha and Fernández, Facundo M.},\n\tmonth = sep,\n\tyear = {2014},\n\tpages = {1538--1548},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid process development of chromatographic process using direct analysis in real time mass spectrometry as a process analytical technology tool.\n \n \n \n \n\n\n \n Yan, B.; Chen, T.; Xu, Z.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 94: 106–110. June 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{yan_rapid_2014,\n\ttitle = {Rapid process development of chromatographic process using direct analysis in real time mass spectrometry as a process analytical technology tool},\n\tvolume = {94},\n\tissn = {07317085},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0731708514000703},\n\tdoi = {10.1016/j.jpba.2014.01.033},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Yan, Binjun and Chen, Teng and Xu, Zhilin and Qu, Haibin},\n\tmonth = jun,\n\tyear = {2014},\n\tkeywords = {Chromatographic process, Direct analysis in real time mass spectrometry, Ginkgolides, Process analytical technology, Quality by design, Rapid process development},\n\tpages = {106--110},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Analytical strategies for controlling polysorbate-based nanomicelles in fruit juice.\n \n \n \n \n\n\n \n Krtkova, V.; Schulzova, V.; Lacina, O.; Hrbek, V.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 406(16): 3909–3918. June 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AnalyticalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{krtkova_analytical_2014,\n\ttitle = {Analytical strategies for controlling polysorbate-based nanomicelles in fruit juice},\n\tvolume = {406},\n\tissn = {1618-2642, 1618-2650},\n\turl = {http://link.springer.com/10.1007/s00216-014-7823-7},\n\tdoi = {10.1007/s00216-014-7823-7},\n\tlanguage = {en},\n\tnumber = {16},\n\turldate = {2016-01-28},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Krtkova, Veronika and Schulzova, Vera and Lacina, Ondrej and Hrbek, Vojtech and Tomaniova, Monika and Hajslova, Jana},\n\tmonth = jun,\n\tyear = {2014},\n\tpages = {3909--3918},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Determination of stabilisers in polymeric materials used as encapsulants in photovoltaic modules.\n \n \n \n \n\n\n \n Hintersteiner, I.; Sternbauer, L.; Beissmann, S.; Buchberger, W. W.; and Wallner, G. M.\n\n\n \n\n\n\n Polymer Testing, 33: 172–178. February 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{hintersteiner_determination_2014,\n\ttitle = {Determination of stabilisers in polymeric materials used as encapsulants in photovoltaic modules},\n\tvolume = {33},\n\tissn = {01429418},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0142941813002468},\n\tdoi = {10.1016/j.polymertesting.2013.12.004},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Polymer Testing},\n\tauthor = {Hintersteiner, Ingrid and Sternbauer, Lucas and Beissmann, Susanne and Buchberger, Wolfgang W. and Wallner, Gernot M.},\n\tmonth = feb,\n\tyear = {2014},\n\tpages = {172--178},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Role of Water and Phase in the Heterogeneous Oxidation of Solid and Aqueous Succinic Acid Aerosol by Hydroxyl Radicals.\n \n \n \n \n\n\n \n Chan, M. N.; Zhang, H.; Goldstein, A. H.; and Wilson, K. R.\n\n\n \n\n\n\n The Journal of Physical Chemistry C, 118(50): 28978–28992. December 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RolePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{chan_role_2014,\n\ttitle = {Role of {Water} and {Phase} in the {Heterogeneous} {Oxidation} of {Solid} and {Aqueous} {Succinic} {Acid} {Aerosol} by {Hydroxyl} {Radicals}},\n\tvolume = {118},\n\tissn = {1932-7447, 1932-7455},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/jp5012022},\n\tdoi = {10.1021/jp5012022},\n\tlanguage = {en},\n\tnumber = {50},\n\turldate = {2016-01-28},\n\tjournal = {The Journal of Physical Chemistry C},\n\tauthor = {Chan, Man Nin and Zhang, Haofei and Goldstein, Allen H. and Wilson, Kevin R.},\n\tmonth = dec,\n\tyear = {2014},\n\tpages = {28978--28992},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time-Mass Spectrometry for the Rapid Detection of Metabolites of Aconite Alkaloids in Intestinal Bacteria.\n \n \n \n \n\n\n \n Li, X.; Hou, G.; Xing, J.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 25(12): 2181–2184. December 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{li_direct_2014,\n\ttitle = {Direct {Analysis} in {Real} {Time}-{Mass} {Spectrometry} for the {Rapid} {Detection} of {Metabolites} of {Aconite} {Alkaloids} in {Intestinal} {Bacteria}},\n\tvolume = {25},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-014-0991-z},\n\tdoi = {10.1007/s13361-014-0991-z},\n\tlanguage = {en},\n\tnumber = {12},\n\turldate = {2016-01-28},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Li, Xue and Hou, Guangyue and Xing, Junpeng and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tmonth = dec,\n\tyear = {2014},\n\tpages = {2181--2184},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Accurate Mass Fragment Library for Rapid Analysis of Pesticides on Produce Using Ambient Pressure Desorption Ionization with High-Resolution Mass Spectrometry.\n \n \n \n \n\n\n \n Kern, S. E.; Lin, L. A.; and Fricke, F. L.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 25(8): 1482–1488. August 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AccuratePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{kern_accurate_2014,\n\ttitle = {Accurate {Mass} {Fragment} {Library} for {Rapid} {Analysis} of {Pesticides} on {Produce} {Using} {Ambient} {Pressure} {Desorption} {Ionization} with {High}-{Resolution} {Mass} {Spectrometry}},\n\tvolume = {25},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://link.springer.com/10.1007/s13361-014-0912-1},\n\tdoi = {10.1007/s13361-014-0912-1},\n\tlanguage = {en},\n\tnumber = {8},\n\turldate = {2016-01-28},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Kern, Sara E. and Lin, Lora A. and Fricke, Frederick L.},\n\tmonth = aug,\n\tyear = {2014},\n\tpages = {1482--1488},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Analysis of Geting Bituminous Coal by Electrospray Ionization and Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Fan, X.; Chen, L.; Wang, S.; Qing, Y.; Wei, X.; Zhao, Y.; Zheng, A.; Zhu, J.; and You, C.\n\n\n \n\n\n\n Analytical Letters, 47(12): 2012–2022. August 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{fan_analysis_2014,\n\ttitle = {Analysis of {Geting} {Bituminous} {Coal} by {Electrospray} {Ionization} and {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {47},\n\tissn = {0003-2719, 1532-236X},\n\turl = {http://www.tandfonline.com/doi/abs/10.1080/00032719.2014.895906},\n\tdoi = {10.1080/00032719.2014.895906},\n\tlanguage = {en},\n\tnumber = {12},\n\turldate = {2016-01-28},\n\tjournal = {Analytical Letters},\n\tauthor = {Fan, Xing and Chen, Lu and Wang, Shou-Ze and Qing, Yu and Wei, Xian-Yong and Zhao, Yun-Peng and Zheng, Ai-Li and Zhu, Ji-Liang and You, Chun-Yan},\n\tmonth = aug,\n\tyear = {2014},\n\tpages = {2012--2022},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Non-targeted metabolomic analysis of orange (Citrus sinensis [L.] Osbeck) wild type and bud mutant fruits by direct analysis in real-time and HPLC-electrospray mass spectrometry.\n \n \n \n \n\n\n \n Pan, Z.; Li, Y.; Deng, X.; and Xiao, S.\n\n\n \n\n\n\n Metabolomics, 10(3). June 2014.\n \n\n\n\n
\n\n\n\n \n \n \"Non-targetedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{pan_non-targeted_2014,\n\ttitle = {Non-targeted metabolomic analysis of orange ({Citrus} sinensis [{L}.] {Osbeck}) wild type and bud mutant fruits by direct analysis in real-time and {HPLC}-electrospray mass spectrometry},\n\tvolume = {10},\n\tissn = {1573-3882, 1573-3890},\n\turl = {http://link.springer.com/10.1007/s11306-013-0597-7},\n\tdoi = {10.1007/s11306-013-0597-7},\n\tlanguage = {en},\n\tnumber = {3},\n\turldate = {2016-01-28},\n\tjournal = {Metabolomics},\n\tauthor = {Pan, Zhiyong and Li, Yue and Deng, Xiuxin and Xiao, Shunyuan},\n\tmonth = jun,\n\tyear = {2014},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Thin-layer chromatography/direct analysis in real time time-of-flight mass spectrometry and isotope dilution to analyze organophosphorus insecticides in fatty foods.\n \n \n \n \n\n\n \n Kiguchi, O.; Oka, K.; Tamada, M.; Kobayashi, T.; and Onodera, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1370: 246–254. November 2014.\n \n\n\n\n
\n\n\n\n \n \n \"Thin-layerPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{kiguchi_thin-layer_2014,\n\ttitle = {Thin-layer chromatography/direct analysis in real time time-of-flight mass spectrometry and isotope dilution to analyze organophosphorus insecticides in fatty foods},\n\tvolume = {1370},\n\tissn = {00219673},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0021967314016094},\n\tdoi = {10.1016/j.chroma.2014.10.037},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Kiguchi, Osamu and Oka, Kazuko and Tamada, Masafumi and Kobayashi, Takashi and Onodera, Jun},\n\tmonth = nov,\n\tyear = {2014},\n\tpages = {246--254},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid detection by direct analysis in real time-mass spectrometry (DART-MS) of psychoactive plant drugs of abuse: The case of Mitragyna speciosa aka “Kratom”.\n \n \n \n \n\n\n \n Lesiak, A. D.; Cody, R. B.; Dane, A. J.; and Musah, R. A.\n\n\n \n\n\n\n Forensic Science International, 242: 210–218. September 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{lesiak_rapid_2014,\n\ttitle = {Rapid detection by direct analysis in real time-mass spectrometry ({DART}-{MS}) of psychoactive plant drugs of abuse: {The} case of {Mitragyna} speciosa aka “{Kratom}”},\n\tvolume = {242},\n\tissn = {03790738},\n\tshorttitle = {Rapid detection by direct analysis in real time-mass spectrometry ({DART}-{MS}) of psychoactive plant drugs of abuse},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073814002898},\n\tdoi = {10.1016/j.forsciint.2014.07.005},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Forensic Science International},\n\tauthor = {Lesiak, Ashton D. and Cody, Robert B. and Dane, A. John and Musah, Rabi A.},\n\tmonth = sep,\n\tyear = {2014},\n\tpages = {210--218},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Recent advances in forensic drug analysis by DART-MS.\n \n \n \n \n\n\n \n Lesiak, A. D; and Shepard, J. R.\n\n\n \n\n\n\n Bioanalysis, 6(6): 819–842. March 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RecentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{lesiak_recent_2014,\n\ttitle = {Recent advances in forensic drug analysis by {DART}-{MS}},\n\tvolume = {6},\n\tissn = {1757-6180},\n\turl = {http://dx.doi.org/10.4155/bio.14.31},\n\tdoi = {10.4155/bio.14.31},\n\tabstract = {Mass spectrometry methods play a major role in many forensic applications. While gas chromatography–mass spectrometry methods are commonly used in crime laboratories and enforcement agencies, a variety of advanced techniques are now available that can improve upon standard methods and address emerging issues in forensic science. New mass spectrometry technologies include more versatile ionization sources, allowing the next generation of instrumentation to be more multipurpose and adaptable to the needs of the discipline. Direct analysis in real-time mass spectrometry is an ambient ionization method that allows direct testing of gas, liquid and solid samples without the need for any preparation or extraction, based on thermal desorption and ionization directly from the sample surface. This Review will provide an in-depth description of direct analysis in real-time time-of-flight mass spectrometry as applied to samples relevant to forensic science, with a focus on analysis and characterization related to forensic drug chemistry.},\n\tnumber = {6},\n\turldate = {2014-04-10},\n\tjournal = {Bioanalysis},\n\tauthor = {Lesiak, Ashton D and Shepard, Jason RE},\n\tmonth = mar,\n\tyear = {2014},\n\tpages = {819--842},\n}\n\n\n\n
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\n\n\n
\n Mass spectrometry methods play a major role in many forensic applications. While gas chromatography–mass spectrometry methods are commonly used in crime laboratories and enforcement agencies, a variety of advanced techniques are now available that can improve upon standard methods and address emerging issues in forensic science. New mass spectrometry technologies include more versatile ionization sources, allowing the next generation of instrumentation to be more multipurpose and adaptable to the needs of the discipline. Direct analysis in real-time mass spectrometry is an ambient ionization method that allows direct testing of gas, liquid and solid samples without the need for any preparation or extraction, based on thermal desorption and ionization directly from the sample surface. This Review will provide an in-depth description of direct analysis in real-time time-of-flight mass spectrometry as applied to samples relevant to forensic science, with a focus on analysis and characterization related to forensic drug chemistry.\n
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\n \n\n \n \n \n \n \n \n Pharmaceutical Identifier Confirmation via DART-TOF.\n \n \n \n \n\n\n \n Easter, J. L.; and Steiner, R. R.\n\n\n \n\n\n\n Forensic science international. April 2014.\n \n\n\n\n
\n\n\n\n \n \n \"PharmaceuticalPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{easter_pharmaceutical_2014,\n\ttitle = {Pharmaceutical {Identifier} {Confirmation} via {DART}-{TOF}},\n\tissn = {0379-0738},\n\turl = {http://dx.doi.org/10.1016/j.forsciint.2014.03.009},\n\tabstract = {•The DART-TOF is suitable as a SWGDRUG Category A technique for the analysis of pharmaceuticals.•This was successfully demonstrated with of the 100\\% correct identity confirmation of all 387 pharmaceuticals.•Drugs with identical masses were differentiated using box plots, PCA, and LDA from their spectral data.•The data produced by the DART-TOF instrument was shown to be reproducible using box plots and error bar plots. Pharmaceutical analysis comprises a large amount of the casework in forensic controlled substances laboratories. In order to reduce the time of analysis for pharmaceuticals, a Direct Analysis in Real Time ion source coupled with an accurate mass Time-of-Flight (DART-TOF) mass spectrometer was used to confirm identity. DART-TOF spectral data for pharmaceutical samples were analyzed and evaluated by comparison to standard spectra. Identical mass pharmaceuticals were differentiated using collision induced dissociation fragmentation, present/absent ions, and abundance comparison box plots; Principal Component Analysis (PCA) and Linear Discriminant Analysis (LDA) were used for differentiation of identical mass mixed drug spectra. Mass assignment reproducibility and robustness tests were performed on the DART-TOF spectra. Impacts on the forensic science community include a decrease in analysis time over the traditional gas chromatograph/mass spectrometry (GCMS) confirmations, better laboratory efficiency, and simpler sample preparation. Using physical identifiers and the DART-TOF to confirm pharmaceutical identity will eliminate the use of GCMS and effectively reduce analysis time while still complying with accepted analysis protocols. This will prove helpful in laboratories with large backlogs and will simplify the confirmation process.},\n\tjournal = {Forensic science international},\n\tauthor = {Easter, Jacob L. and Steiner, Robert R.},\n\tmonth = apr,\n\tyear = {2014},\n\tkeywords = {DART-TOF, Pharmaceutical, controlled substances, mass spectrometry, principal component analysis (PCA)},\n}\n\n\n\n
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\n •The DART-TOF is suitable as a SWGDRUG Category A technique for the analysis of pharmaceuticals.•This was successfully demonstrated with of the 100% correct identity confirmation of all 387 pharmaceuticals.•Drugs with identical masses were differentiated using box plots, PCA, and LDA from their spectral data.•The data produced by the DART-TOF instrument was shown to be reproducible using box plots and error bar plots. Pharmaceutical analysis comprises a large amount of the casework in forensic controlled substances laboratories. In order to reduce the time of analysis for pharmaceuticals, a Direct Analysis in Real Time ion source coupled with an accurate mass Time-of-Flight (DART-TOF) mass spectrometer was used to confirm identity. DART-TOF spectral data for pharmaceutical samples were analyzed and evaluated by comparison to standard spectra. Identical mass pharmaceuticals were differentiated using collision induced dissociation fragmentation, present/absent ions, and abundance comparison box plots; Principal Component Analysis (PCA) and Linear Discriminant Analysis (LDA) were used for differentiation of identical mass mixed drug spectra. Mass assignment reproducibility and robustness tests were performed on the DART-TOF spectra. Impacts on the forensic science community include a decrease in analysis time over the traditional gas chromatograph/mass spectrometry (GCMS) confirmations, better laboratory efficiency, and simpler sample preparation. Using physical identifiers and the DART-TOF to confirm pharmaceutical identity will eliminate the use of GCMS and effectively reduce analysis time while still complying with accepted analysis protocols. This will prove helpful in laboratories with large backlogs and will simplify the confirmation process.\n
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\n \n\n \n \n \n \n \n \n Solid-phase extraction with the metal–organic framework MIL-101(Cr) combined with direct analysis in real time mass spectrometry for the fast analysis of triazine herbicides.\n \n \n \n \n\n\n \n Li, X.; Xing, J.; Chang, C.; Wang, X.; Bai, Y.; Yan, X.; and Liu, H.\n\n\n \n\n\n\n Journal of Separation Science,n/a–n/a. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"Solid-phasePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{li_solid-phase_2014,\n\ttitle = {Solid-phase extraction with the metal–organic framework {MIL}-101({Cr}) combined with direct analysis in real time mass spectrometry for the fast analysis of triazine herbicides},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.201400151},\n\tdoi = {10.1002/jssc.201400151},\n\tabstract = {MIL-101(Cr) is an excellent metal–organic framework with high surface area and nanoscale cavities, making it promising in solid-phase extraction. Herein, we used MIL-101(Cr) as a solid-phase extraction packing material combined with fast detection of direct analysis in real time mass spectrometry (DART-MS) for the analysis of triazine herbicides. After systematic optimization of the operation parameters, including the gas temperature of DART, the moving speed of the 1D platform, solvent for desorption, amount of MIL-101(Cr) and extraction time, this method can realize the simultaneous detection of five kinds of triazine herbicides. The limits of detection were 0.1∼0.2 ng/mL and the linear ranges covered more than two orders of magnitude with the quantitation limits of 0.5∼1 ng/mL. Moreover, the developed method has been applied for the analysis of lake water samples and the recoveries for spiked analytes were in the range of 85∼110\\%. These results showed that solid-phase extraction with metal–organic frameworks is an efficient sample preparation approach for DART-MS analysis and could find more applications in environmental analysis. This article is protected by copyright. All rights reserved},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Li, Xianjiang and Xing, Jiawei and Chang, Cuilan and Wang, Xin and Bai, Yu and Yan, Xiuping and Liu, Huwei},\n\tyear = {2014},\n\tkeywords = {DART-MS, fast analysis, metal-organic frameworks, solid-phase extraction, triazine herbicides},\n\tpages = {n/a--n/a},\n}\n\n\n\n
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\n MIL-101(Cr) is an excellent metal–organic framework with high surface area and nanoscale cavities, making it promising in solid-phase extraction. Herein, we used MIL-101(Cr) as a solid-phase extraction packing material combined with fast detection of direct analysis in real time mass spectrometry (DART-MS) for the analysis of triazine herbicides. After systematic optimization of the operation parameters, including the gas temperature of DART, the moving speed of the 1D platform, solvent for desorption, amount of MIL-101(Cr) and extraction time, this method can realize the simultaneous detection of five kinds of triazine herbicides. The limits of detection were 0.1∼0.2 ng/mL and the linear ranges covered more than two orders of magnitude with the quantitation limits of 0.5∼1 ng/mL. Moreover, the developed method has been applied for the analysis of lake water samples and the recoveries for spiked analytes were in the range of 85∼110%. These results showed that solid-phase extraction with metal–organic frameworks is an efficient sample preparation approach for DART-MS analysis and could find more applications in environmental analysis. This article is protected by copyright. All rights reserved\n
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\n \n\n \n \n \n \n \n \n DART–MS in-source collision induced dissociation and high mass accuracy for new psychoactive substance determinations.\n \n \n \n \n\n\n \n Musah, R. A.; Cody, R. B.; Domin, M. A.; Lesiak, A. D.; Dane, A. J.; and Shepard, J. R.\n\n\n \n\n\n\n Forensic Science International, 244: 42–49. November 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DART–MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{musah_dartms_2014,\n\ttitle = {{DART}–{MS} in-source collision induced dissociation and high mass accuracy for new psychoactive substance determinations},\n\tvolume = {244},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073814003132},\n\tdoi = {10.1016/j.forsciint.2014.07.028},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Forensic Science International},\n\tauthor = {Musah, Rabi A. and Cody, Robert B. and Domin, Marek A. and Lesiak, Ashton D. and Dane, A. John and Shepard, Jason R.E.},\n\tmonth = nov,\n\tyear = {2014},\n\tpages = {42--49},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid Quantification of Highly Polar Trimethyl Phosphate in Wastewater via Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, X.; Liu, J.; Liu, C. C.; Zhang, J.; Shao, B.; Liu, L.; and Zhang, N.\n\n\n \n\n\n\n Journal of Chromatography A, (0). 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wang_rapid_2014,\n\ttitle = {Rapid {Quantification} of {Highly} {Polar} {Trimethyl} {Phosphate} in {Wastewater} via {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S002196731400171X},\n\tdoi = {10.1016/j.chroma.2014.01.076},\n\tnumber = {0},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Wang, Xiaowei and Liu, Jingfu and Liu, Charles C. and Zhang, Jing and Shao, Bing and Liu, Liping and Zhang, Nina},\n\tyear = {2014},\n\tkeywords = {Direct analysis real-time tandem mass spectrometry, Environmental water, Organophosphours flame retardant, Trimethyl phosphate},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n High-mass cluster ions of ionic liquids in positive-ion and negative-ion DART-MS and their application for wide-range mass calibrations.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–10. March 2014.\n \n\n\n\n
\n\n\n\n \n \n \"High-massPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{gross_high-mass_2014,\n\ttitle = {High-mass cluster ions of ionic liquids in positive-ion and negative-ion {DART}-{MS} and their application for wide-range mass calibrations},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-014-7720-0},\n\tdoi = {10.1007/s00216-014-7720-0},\n\tabstract = {Eight ionic liquids (ILs) are subjected to both positive-ion and negative-ion direct analyses in real time (DART) Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS). First, their ability to deliver evenly distributed cluster ion series covering a wide m/z range is explored. Then, one of the ILs exhibiting particularly useful cluster ion series in either ion polarity is applied for mass calibration. Using 1-butyl-3-methylimidazolium tricyanomethide delivers positive cluster ions suitable for mass calibration in the m/z 100–4,000 range and covers the m/z 100–2,000 range in negative-ion DART-MS. The corresponding mass reference lists are provided for either polarity. Furthermore, based on 1-butyl-3-methylimidazolium tricyanomethide, a high-mass record of m/z {\\textgreater} 5,000 for positive-ion DART-MS is presented. The mass calibration procedure is finally validated by application to established standard compounds such as polydimethylsiloxanes, perfluorononanoic acid, and Ultramark 1621, a mixture of hexakis (fluoroalkoxy) phosphazenes. Further proof is presented by consistent exact mass differences between adjacent cluster ions.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = mar,\n\tyear = {2014},\n\tkeywords = {Accurate mass, Cluster ions, Direct analysis in real time (DART), FT-ICR–MS, High-mass record, Ionic liquids, Mass calibration, mass spectrometry},\n\tpages = {1--10},\n}\n\n\n\n
\n
\n\n\n
\n Eight ionic liquids (ILs) are subjected to both positive-ion and negative-ion direct analyses in real time (DART) Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS). First, their ability to deliver evenly distributed cluster ion series covering a wide m/z range is explored. Then, one of the ILs exhibiting particularly useful cluster ion series in either ion polarity is applied for mass calibration. Using 1-butyl-3-methylimidazolium tricyanomethide delivers positive cluster ions suitable for mass calibration in the m/z 100–4,000 range and covers the m/z 100–2,000 range in negative-ion DART-MS. The corresponding mass reference lists are provided for either polarity. Furthermore, based on 1-butyl-3-methylimidazolium tricyanomethide, a high-mass record of m/z \\textgreater 5,000 for positive-ion DART-MS is presented. The mass calibration procedure is finally validated by application to established standard compounds such as polydimethylsiloxanes, perfluorononanoic acid, and Ultramark 1621, a mixture of hexakis (fluoroalkoxy) phosphazenes. Further proof is presented by consistent exact mass differences between adjacent cluster ions.\n
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\n \n\n \n \n \n \n \n \n Ambient Surface Analysis of Organic Monolayers using Direct Analysis in Real Time Orbitrap Mass Spectrometry.\n \n \n \n \n\n\n \n Manova, R. K.; Joshi, S.; Debrassi, A.; Bhairamadgi, N. S.; Roeven, E.; Gagnon, J.; Tahir, M. N.; Claassen, F. W.; Scheres, L. M.; Wennekes, T.; Schroën, K.; van Beek, T. A.; Zuilhof, H.; and Nielen, M. W. F.\n\n\n \n\n\n\n Analytical Chemistry, 86(5): 2403–2411. January 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{manova_ambient_2014,\n\ttitle = {Ambient {Surface} {Analysis} of {Organic} {Monolayers} using {Direct} {Analysis} in {Real} {Time} {Orbitrap} {Mass} {Spectrometry}},\n\tvolume = {86},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac4031626},\n\tdoi = {10.1021/ac4031626},\n\tabstract = {A better characterization of nanometer-thick organic layers (monolayers) as used for engineering surface properties, biosensing, nanomedicine, and smart materials will widen their application. The aim of this study was to develop direct analysis in real time high-resolution mass spectrometry (DART-HRMS) into a new and complementary analytical tool for characterizing organic monolayers. To assess the scope and formulate general interpretation rules, DART-HRMS was used to analyze a diverse set of monolayers having different chemistries (amides, esters, amines, acids, alcohols, alkanes, ethers, thioethers, polymers, sugars) on five different substrates (Si, Si3N4, glass, Al2O3, Au). The substrate did not play a major role except in the case of gold, for which breaking of the weak Au?S bond that tethers the monolayer to the surface, was observed. For monolayers with stronger covalent interfacial bonds, fragmentation around terminal groups was found. For ester and amide-terminated monolayers, in situ hydrolysis during DART resulted in the detection of ions characteristic of the terminal groups (alcohol, amine, carboxylic acid). For ether and thioether-terminated layers, scission of C?O or C?S bonds also led to the release of the terminal part of the monolayer in a predictable manner. Only the spectra of alkane monolayers could not be interpreted. DART-HRMS allowed for the analysis of and distinction between monolayers containing biologically relevant mono or disaccharides. Overall, DART-HRMS is a promising surface analysis technique that combines detailed structural information on nanomaterials and ultrathin films with fast analyses under ambient conditions.},\n\tnumber = {5},\n\turldate = {2014-03-31},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Manova, Radostina K. and Joshi, Sweccha and Debrassi, Aline and Bhairamadgi, Nagendra S. and Roeven, Esther and Gagnon, Jacinthe and Tahir, Muhammad N. and Claassen, Frank W. and Scheres, Luc M.W. and Wennekes, Tom and Schroën, Karin and van Beek, Teris A. and Zuilhof, Han and Nielen, Michel W. F.},\n\tmonth = jan,\n\tyear = {2014},\n\tpages = {2403--2411},\n}\n\n\n\n
\n
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\n A better characterization of nanometer-thick organic layers (monolayers) as used for engineering surface properties, biosensing, nanomedicine, and smart materials will widen their application. The aim of this study was to develop direct analysis in real time high-resolution mass spectrometry (DART-HRMS) into a new and complementary analytical tool for characterizing organic monolayers. To assess the scope and formulate general interpretation rules, DART-HRMS was used to analyze a diverse set of monolayers having different chemistries (amides, esters, amines, acids, alcohols, alkanes, ethers, thioethers, polymers, sugars) on five different substrates (Si, Si3N4, glass, Al2O3, Au). The substrate did not play a major role except in the case of gold, for which breaking of the weak Au?S bond that tethers the monolayer to the surface, was observed. For monolayers with stronger covalent interfacial bonds, fragmentation around terminal groups was found. For ester and amide-terminated monolayers, in situ hydrolysis during DART resulted in the detection of ions characteristic of the terminal groups (alcohol, amine, carboxylic acid). For ether and thioether-terminated layers, scission of C?O or C?S bonds also led to the release of the terminal part of the monolayer in a predictable manner. Only the spectra of alkane monolayers could not be interpreted. DART-HRMS allowed for the analysis of and distinction between monolayers containing biologically relevant mono or disaccharides. Overall, DART-HRMS is a promising surface analysis technique that combines detailed structural information on nanomaterials and ultrathin films with fast analyses under ambient conditions.\n
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\n \n\n \n \n \n \n \n \n Determination of the aflatoxin AFB1 from corn by direct analysis in real time – mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Busman, M.; Liu, J.; Zhong, H.; Bobell, J. R.; and Maragos, C. M.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A,null–null. March 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{busman_determination_2014,\n\ttitle = {Determination of the aflatoxin {AFB1} from corn by direct analysis in real time – mass spectrometry ({DART}-{MS})},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2014.900572},\n\tdoi = {10.1080/19440049.2014.900572},\n\tabstract = {Abstract Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for screening of aflatoxins from a variety of surfaces and the rapid quantitative analysis of a common form of aflatoxin, AFB1, extracted from corn. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of aflatoxin AFB1. 84:16 acetonitrile water extracts of corn were analyzed by DART-MS. The lowest calibration level (LCL) for aflatoxin AFB1 was 4 ?g/kg. Quantitative analysis was performed with the use of matrix-matched standards employing the 13C-labeled internal standard for AFB1. DART-MS of spiked corn extracts gave linear response of the range 4?1000 ?g/kg. Good recoveries (94?110\\%) and repeatabilities (RSD 0.7?6.9\\%) were obtained at spiking levels of 20 and 100 ?g/kg with use of an isotope dilution technique. Trueness of data obtained for AFB1 in maize by DART-MS was demonstrated by analysis of corn certified reference materials.},\n\turldate = {2014-03-11},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Busman, Mark and Liu, Jihong and Zhong, Hongjian and Bobell, John R. and Maragos, Chris M.},\n\tmonth = mar,\n\tyear = {2014},\n\tpages = {null--null},\n}\n\n\n\n
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\n Abstract Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for screening of aflatoxins from a variety of surfaces and the rapid quantitative analysis of a common form of aflatoxin, AFB1, extracted from corn. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of aflatoxin AFB1. 84:16 acetonitrile water extracts of corn were analyzed by DART-MS. The lowest calibration level (LCL) for aflatoxin AFB1 was 4 ?g/kg. Quantitative analysis was performed with the use of matrix-matched standards employing the 13C-labeled internal standard for AFB1. DART-MS of spiked corn extracts gave linear response of the range 4?1000 ?g/kg. Good recoveries (94?110%) and repeatabilities (RSD 0.7?6.9%) were obtained at spiking levels of 20 and 100 ?g/kg with use of an isotope dilution technique. Trueness of data obtained for AFB1 in maize by DART-MS was demonstrated by analysis of corn certified reference materials.\n
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\n \n\n \n \n \n \n \n \n Ionization characteristics of amino acids in direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Sekimoto, K.; Sakakura, M.; Kawamukai, T.; Hike, H.; Shiota, T.; Usui, F.; Bando, Y.; and Takayama, M.\n\n\n \n\n\n\n Analyst. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"IonizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{sekimoto_ionization_2014,\n\ttitle = {Ionization characteristics of amino acids in direct analysis in real time mass spectrometry},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN02193A},\n\tdoi = {10.1039/C3AN02193A},\n\tabstract = {The positive and negative ionization characteristics of 20 different [small alpha]-amino acids were investigated in Direct Analysis in Real Time (DART) mass spectrometry. Almost all of the amino acids M were ionized to generate the (de)protonated analytes [M +/- H]+/- via proton transfer reactions with the typical background ions H3O+(H2O)n and O2?- and resonant electron capture by M. The application of DART to amino acids also resulted in molecular ion formation, fragmentation, oxidations involving oxygen attachment and hydrogen loss, and formation of adducts [M + R]- with negative background ions R- (O2?-, HCO2-, NO2- and COO-(COOH)), depending on the physicochemical and/or structural properties of the individual amino acid. The relationship between each amino acid and the ionization reactions observed suggested that fragmentation can be attributed to pyrolysis during analyte desorption, as well as excess energy obtained via (de)protonation. Oxidation and [M + R]- adduct formation, in contrast, most likely originate from reactions with active oxygen such as hydroxyl radical HO?, indicating that the typical background neutral species involved in analyte ionization in DART contain HO?.},\n\tjournal = {Analyst},\n\tauthor = {Sekimoto, Kanako and Sakakura, Motoshi and Kawamukai, Takatomo and Hike, Hiroshi and Shiota, Teruhisa and Usui, Fumihiko and Bando, Yasuhiko and Takayama, Mitsuo},\n\tyear = {2014},\n}\n\n\n\n
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\n The positive and negative ionization characteristics of 20 different [small alpha]-amino acids were investigated in Direct Analysis in Real Time (DART) mass spectrometry. Almost all of the amino acids M were ionized to generate the (de)protonated analytes [M +/- H]+/- via proton transfer reactions with the typical background ions H3O+(H2O)n and O2?- and resonant electron capture by M. The application of DART to amino acids also resulted in molecular ion formation, fragmentation, oxidations involving oxygen attachment and hydrogen loss, and formation of adducts [M + R]- with negative background ions R- (O2?-, HCO2-, NO2- and COO-(COOH)), depending on the physicochemical and/or structural properties of the individual amino acid. The relationship between each amino acid and the ionization reactions observed suggested that fragmentation can be attributed to pyrolysis during analyte desorption, as well as excess energy obtained via (de)protonation. Oxidation and [M + R]- adduct formation, in contrast, most likely originate from reactions with active oxygen such as hydroxyl radical HO?, indicating that the typical background neutral species involved in analyte ionization in DART contain HO?.\n
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\n \n\n \n \n \n \n \n \n Rapid analysis of Δ-9-tetrahydrocannabinol in hair using direct analysis in real time ambient ionization orbitrap mass spectrometry.\n \n \n \n \n\n\n \n Duvivier, W. F.; van Beek, T. A.; Pennings, E. J. M.; and Nielen, M. W. F.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 28(7): 682–690. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{duvivier_rapid_2014,\n\ttitle = {Rapid analysis of Δ-9-tetrahydrocannabinol in hair using direct analysis in real time ambient ionization orbitrap mass spectrometry},\n\tvolume = {28},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6831},\n\tdoi = {10.1002/rcm.6831},\n\tabstract = {RATIONALE\n\nForensic hair analysis methods are laborious, time-consuming and provide only a rough retrospective estimate of the time of drug intake. Recently, hair imaging methods using matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) were reported, but these methods require the application of MALDI matrix and are performed under vacuum. Direct analysis of entire locks of hair without any sample pretreatment and with improved spatial resolution would thus address a need.\n\nMETHODS\n\nHair samples were attached to stainless steel mesh screens and scanned in the X-direction using direct analysis in real time (DART) ambient ionization orbitrap MS. The DART gas temperature and the accuracy of the probed hair zone were optimized using Δ-9-tetrahydrocannabinol (THC) as a model compound. Since external contamination is a major issue in forensic hair analysis, sub-samples were measured before and after dichloromethane decontamination.\n\nRESULTS\n\nThe relative intensity of the THC signal in spiked blank hair versus that of quinine as the internal standard showed good reproducibility (26\\% RSD) and linearity of the method (R2 = 0.991). With the DART hair scan THC could be detected in hair samples from different chronic cannabis users. The presence of THC was confirmed by quantitative liquid chromatography/tandem mass spectrometry. Zones with different THC content could be clearly distinguished, indicating that the method might be used for retrospective timeline assessments. Detection of THC in decontaminated drug user hair showed that the DART hair scan not only probes THC on the surface of hair, but penetrates deeply enough to measure incorporated THC.\n\nCONCLUSIONS\n\nA new approach in forensic hair analysis has been developed by probing complete locks of hair using DART-MS. Longitudinal scanning enables detection of incorporated compounds and can be used as pre-screening for THC without sample preparation. The method could also be adjusted for the analysis of other drugs of abuse. Copyright © 2014 John Wiley \\& Sons, Ltd.},\n\tnumber = {7},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Duvivier, Wilco F. and van Beek, Teris A. and Pennings, Ed J. M. and Nielen, Michel W. F.},\n\tyear = {2014},\n\tpages = {682--690},\n}\n\n\n\n
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\n RATIONALE Forensic hair analysis methods are laborious, time-consuming and provide only a rough retrospective estimate of the time of drug intake. Recently, hair imaging methods using matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) were reported, but these methods require the application of MALDI matrix and are performed under vacuum. Direct analysis of entire locks of hair without any sample pretreatment and with improved spatial resolution would thus address a need. METHODS Hair samples were attached to stainless steel mesh screens and scanned in the X-direction using direct analysis in real time (DART) ambient ionization orbitrap MS. The DART gas temperature and the accuracy of the probed hair zone were optimized using Δ-9-tetrahydrocannabinol (THC) as a model compound. Since external contamination is a major issue in forensic hair analysis, sub-samples were measured before and after dichloromethane decontamination. RESULTS The relative intensity of the THC signal in spiked blank hair versus that of quinine as the internal standard showed good reproducibility (26% RSD) and linearity of the method (R2 = 0.991). With the DART hair scan THC could be detected in hair samples from different chronic cannabis users. The presence of THC was confirmed by quantitative liquid chromatography/tandem mass spectrometry. Zones with different THC content could be clearly distinguished, indicating that the method might be used for retrospective timeline assessments. Detection of THC in decontaminated drug user hair showed that the DART hair scan not only probes THC on the surface of hair, but penetrates deeply enough to measure incorporated THC. CONCLUSIONS A new approach in forensic hair analysis has been developed by probing complete locks of hair using DART-MS. Longitudinal scanning enables detection of incorporated compounds and can be used as pre-screening for THC without sample preparation. The method could also be adjusted for the analysis of other drugs of abuse. Copyright © 2014 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Distinguishing wild from cultivated agarwood (Aquilaria spp.) using direct analysis in real time and time of-flight mass spectrometry.\n \n \n \n \n\n\n \n Espinoza, E. O.; Lancaster, C. A.; Kreitals, N. M.; Hata, M.; Cody, R. B.; and Blanchette, R. A.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 28(3): 281–289. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DistinguishingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{espinoza_distinguishing_2014,\n\ttitle = {Distinguishing wild from cultivated agarwood ({Aquilaria} spp.) using direct analysis in real time and time of-flight mass spectrometry},\n\tvolume = {28},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6779},\n\tdoi = {10.1002/rcm.6779},\n\tabstract = {RATIONALE\n\nIt is important for the enforcement of the CITES treaty to determine whether agarwood (a resinous wood produced in Aquilaria and Gyrinops species) seen in trade is from a plantation that was cultivated for sustainable production or was harvested from natural forests which is usually done illegally.\n\nMETHODS\n\nWe analyzed wood directly using Direct Analysis in Real Time (DART™) ionization coupled with Time-of-Flight Mass Spectrometry (TOFMS). Agarwood was obtained from five countries, and the collection contained over 150 samples. The spectra contained ions from agarwood-specific 5,6,7,8-tetrahydro-2-(2-phenylethyl)chromones as well as many other ions. The data was analyzed using either kernel discriminant analysis or kernel principal component analysis. Probability estimates of origin (wild vs cultivated) were assigned to unknown agarwood samples.\n\nRESULTS\n\nAnalysis of the DART-TOFMS data shows that many of the chromones found in cultivated and wild agarwood samples are similar; however, there is a significant difference in particular chromones that can be used for differentiation. In certain instances, the analysis of these chromones also allows inferences to be made as to the country of origin. Mass Mountaineer™ software provides an estimate of the accuracy of the discriminate model, and an unknown sample can be classified as cultivated or wild. Eleven of the thirteen validation samples (85\\%) were correctly assigned to either cultivated or wild harvested for their respective geographic provenance. The accuracy of each classification can be estimated by probabilities based on Z scores.\n\nCONCLUSIONS\n\nThe direct analysis of wood for the diagnostic chromones using DART-TOFMS followed by discriminant analysis is sufficiently robust to differentiate wild from cultivated agarwood and provides strong inference for the origin of the agarwood. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Espinoza, Edgard O. and Lancaster, Cady A. and Kreitals, Natasha M. and Hata, Masataka and Cody, Robert B. and Blanchette, Robert A.},\n\tyear = {2014},\n\tpages = {281--289},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE It is important for the enforcement of the CITES treaty to determine whether agarwood (a resinous wood produced in Aquilaria and Gyrinops species) seen in trade is from a plantation that was cultivated for sustainable production or was harvested from natural forests which is usually done illegally. METHODS We analyzed wood directly using Direct Analysis in Real Time (DART™) ionization coupled with Time-of-Flight Mass Spectrometry (TOFMS). Agarwood was obtained from five countries, and the collection contained over 150 samples. The spectra contained ions from agarwood-specific 5,6,7,8-tetrahydro-2-(2-phenylethyl)chromones as well as many other ions. The data was analyzed using either kernel discriminant analysis or kernel principal component analysis. Probability estimates of origin (wild vs cultivated) were assigned to unknown agarwood samples. RESULTS Analysis of the DART-TOFMS data shows that many of the chromones found in cultivated and wild agarwood samples are similar; however, there is a significant difference in particular chromones that can be used for differentiation. In certain instances, the analysis of these chromones also allows inferences to be made as to the country of origin. Mass Mountaineer™ software provides an estimate of the accuracy of the discriminate model, and an unknown sample can be classified as cultivated or wild. Eleven of the thirteen validation samples (85%) were correctly assigned to either cultivated or wild harvested for their respective geographic provenance. The accuracy of each classification can be estimated by probabilities based on Z scores. CONCLUSIONS The direct analysis of wood for the diagnostic chromones using DART-TOFMS followed by discriminant analysis is sufficiently robust to differentiate wild from cultivated agarwood and provides strong inference for the origin of the agarwood. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Letter: Characterization of volatile and semi-volatile compounds in green and fermented leaves of Bergenia crassifolia L. by GC-MS and ID-CUBE DART-HRMS.\n \n \n \n\n\n \n Chernetsova, E.; Shikov, A.; Crawford, E.; Grashorn, S.; Laakso, I.; Pozharitskaya, O.; Makarov, V.; Hiltunen, R.; Galambosi, B.; and Morlock, G.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 20: 0–0. 2014.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{chernetsova_letter:_2014,\n\ttitle = {Letter: {Characterization} of volatile and semi-volatile compounds in green and fermented leaves of {Bergenia} crassifolia {L}. by {GC}-{MS} and {ID}-{CUBE} {DART}-{HRMS}},\n\tvolume = {20},\n\tissn = {1469-0667},\n\tdoi = {http://dx.doi.org/10.1255/ejms.1252},\n\tabstract = {Chemical compositions of volatile and semi-volatile components in green and fermented leaves of Bergenia crassifolia L. were studied. Leaf components were identified using gas chromatography with low resolution mass spectrometry and direct analysis in real time (DART) high resolution mass spectrometry with an ID-CUBE ion source. Phytol, nerolidol, geraniol, linalool, α-bisabolol, α-bisabololoxide B, α-cadinol, δ-cadinene, α-terpineol, and several other marker compounds of special interest were defined, for which the process of fermentation significantly changed their content in the leaves. Low resolution EI GC-MS and ID-CUBE DART-HRMS were found to be complementary methods, as they provide different information, helpful to increase the confidence of identification.},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Chernetsova, E. and Shikov, A. and Crawford, E. and Grashorn, S. and Laakso, I. and Pozharitskaya, O. and Makarov, V. and Hiltunen, R. and Galambosi, B. and Morlock, G.},\n\tyear = {2014},\n\tpages = {0--0},\n}\n\n\n\n
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\n Chemical compositions of volatile and semi-volatile components in green and fermented leaves of Bergenia crassifolia L. were studied. Leaf components were identified using gas chromatography with low resolution mass spectrometry and direct analysis in real time (DART) high resolution mass spectrometry with an ID-CUBE ion source. Phytol, nerolidol, geraniol, linalool, α-bisabolol, α-bisabololoxide B, α-cadinol, δ-cadinene, α-terpineol, and several other marker compounds of special interest were defined, for which the process of fermentation significantly changed their content in the leaves. Low resolution EI GC-MS and ID-CUBE DART-HRMS were found to be complementary methods, as they provide different information, helpful to increase the confidence of identification.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry, a process analytical technology tool for real-time process monitoring in botanical drug manufacturing.\n \n \n \n \n\n\n \n Wang, L.; Zeng, S.; Chen, T.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, (0). 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wang_direct_2014,\n\ttitle = {Direct analysis in real time mass spectrometry, a process analytical technology tool for real-time process monitoring in botanical drug manufacturing},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708513006195},\n\tdoi = {10.1016/j.jpba.2013.12.034},\n\tabstract = {Abstract\nA promising process analytical technology (PAT) tool has been introduced for batch processes monitoring. Direct analysis in real time mass spectrometry (DART-MS), a means of rapid fingerprint analysis, was applied to a percolation process with multi-constituent substances for an anti-cancer botanical preparation. Fifteen batches were carried out, including ten normal operations and five abnormal batches with artificial variations. The obtained multivariate data were analyzed by a multi-way partial least squares (MPLS) model. Control trajectories were derived from eight normal batches, and the qualification was tested by R2 and Q2. Accuracy and diagnosis capability of the batch model were then validated by the remaining batches. Assisted with high performance liquid chromatography (HPLC) determination, process faults were explained by corresponding variable contributions. Furthermore, a batch level model was developed to compare and assess the model performance. The present study has demonstrated that DART-MS is very promising in process monitoring in botanical manufacturing. Compared with general PAT tools, DART-MS offers a particular account on effective compositions and can be potentially used to improve batch quality and process consistency of samples in complex matrices},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Wang, Lu and Zeng, Shanshan and Chen, Teng and Qu, Haibin},\n\tyear = {2014},\n\tkeywords = {Batch processes control, Botanical drugs, Direct analysis in real time mass spectrometry, Multivariate batch analysis, Percolation process},\n}\n\n\n\n
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\n Abstract A promising process analytical technology (PAT) tool has been introduced for batch processes monitoring. Direct analysis in real time mass spectrometry (DART-MS), a means of rapid fingerprint analysis, was applied to a percolation process with multi-constituent substances for an anti-cancer botanical preparation. Fifteen batches were carried out, including ten normal operations and five abnormal batches with artificial variations. The obtained multivariate data were analyzed by a multi-way partial least squares (MPLS) model. Control trajectories were derived from eight normal batches, and the qualification was tested by R2 and Q2. Accuracy and diagnosis capability of the batch model were then validated by the remaining batches. Assisted with high performance liquid chromatography (HPLC) determination, process faults were explained by corresponding variable contributions. Furthermore, a batch level model was developed to compare and assess the model performance. The present study has demonstrated that DART-MS is very promising in process monitoring in botanical manufacturing. Compared with general PAT tools, DART-MS offers a particular account on effective compositions and can be potentially used to improve batch quality and process consistency of samples in complex matrices\n
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\n \n\n \n \n \n \n \n \n Mass Spectrometry of Spacecraft Contamination Using Direct Analysis in Real-Time Ion Source.\n \n \n \n \n\n\n \n Anderson, M. S.\n\n\n \n\n\n\n Journal of Spacecraft and Rockets,1–5. January 2014.\n \n\n\n\n
\n\n\n\n \n \n \"MassPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{anderson_mass_2014,\n\ttitle = {Mass {Spectrometry} of {Spacecraft} {Contamination} {Using} {Direct} {Analysis} in {Real}-{Time} {Ion} {Source}},\n\tissn = {0022-4650},\n\turl = {http://dx.doi.org/10.2514/1.A32613},\n\tdoi = {10.2514/1.A32613},\n\tabstract = {Spacecraft contamination was analyzed using mass spectrometry with the direct analysis in real-time ionization source. This source uses metastable helium for soft ionization and to mediate atmospheric desorption of samples into a mass spectrometer. The sampling methodology allows polymers to be assessed for the presence of vacuum labile components. Vacuum labile residues are significant sources of contamination on spacecraft optics, science instruments, and thermal control surfaces. The methodology also provides sensitive analysis of molecular contamination on spacecraft surfaces using existing spacecraft sampling procedures. This provides identification information for a wide range of molecular components including biomarker compounds.\n\n\nRead More: http://arc.aiaa.org/doi/abs/10.2514/1.A32613},\n\turldate = {2014-01-28},\n\tjournal = {Journal of Spacecraft and Rockets},\n\tauthor = {Anderson, Mark S.},\n\tmonth = jan,\n\tyear = {2014},\n\tpages = {1--5},\n}\n\n\n\n
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\n Spacecraft contamination was analyzed using mass spectrometry with the direct analysis in real-time ionization source. This source uses metastable helium for soft ionization and to mediate atmospheric desorption of samples into a mass spectrometer. The sampling methodology allows polymers to be assessed for the presence of vacuum labile components. Vacuum labile residues are significant sources of contamination on spacecraft optics, science instruments, and thermal control surfaces. The methodology also provides sensitive analysis of molecular contamination on spacecraft surfaces using existing spacecraft sampling procedures. This provides identification information for a wide range of molecular components including biomarker compounds. Read More: http://arc.aiaa.org/doi/abs/10.2514/1.A32613\n
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\n \n\n \n \n \n \n \n \n Identification of saccharides by using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Wang, Y.; Liu, L.; Ma, L.; and Liu, S.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 357(0): 51–57. January 2014.\n 00003\n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wang_identification_2014,\n\ttitle = {Identification of saccharides by using direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {357},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380613003461},\n\tdoi = {10.1016/j.ijms.2013.09.008},\n\tabstract = {Abstract\nDirect analysis in real time (DART) coupled with quadrupole time-of-flight mass spectrometry (Q-TOF-MS) was applied to investigate the different types of saccharides including ginseng oligosaccharide extract with minimal sample pretreatment. Helium gas temperature into the DART ion source was adjusted to find optimal ionization temperature for glucose in increments of 50 °C from 50 °C to 450 °C. It was observed that gas temperature had a significant effect on signal intensity in DART mass spectra. The temperature for the glucose ionization should be at least 150 °C, and the signal intensity reached optimal ionization state at 250 °C. With the increase of a sugar chain, a higher gas temperature was needed for saccharide ionization. Interestingly, sugar cluster formation can be observed at 450 °C for disaccharides and trisaccharides. It is found that the [M+NH4]+ ions of trisaccharide and ginseng oligosaccharides can be rarely produced without any derivatization even at 450 °C. All the samples except five carbon monosaccharides can generate the m/z 198 ion, so it is difficult to determine whether a m/z 198 ion is the [M+NH4]+ ion of glucose or merely a sample fragment ion most likely an ammoniated monosaccharide fragment.},\n\tnumber = {0},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Wang, Yang and Liu, Li and Ma, Li and Liu, Shuying},\n\tmonth = jan,\n\tyear = {2014},\n\tnote = {00003},\n\tkeywords = {Direct analysis in real time, Sacchrides, food, gingseng extract},\n\tpages = {51--57},\n}\n\n\n\n
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\n Abstract Direct analysis in real time (DART) coupled with quadrupole time-of-flight mass spectrometry (Q-TOF-MS) was applied to investigate the different types of saccharides including ginseng oligosaccharide extract with minimal sample pretreatment. Helium gas temperature into the DART ion source was adjusted to find optimal ionization temperature for glucose in increments of 50 °C from 50 °C to 450 °C. It was observed that gas temperature had a significant effect on signal intensity in DART mass spectra. The temperature for the glucose ionization should be at least 150 °C, and the signal intensity reached optimal ionization state at 250 °C. With the increase of a sugar chain, a higher gas temperature was needed for saccharide ionization. Interestingly, sugar cluster formation can be observed at 450 °C for disaccharides and trisaccharides. It is found that the [M+NH4]+ ions of trisaccharide and ginseng oligosaccharides can be rarely produced without any derivatization even at 450 °C. All the samples except five carbon monosaccharides can generate the m/z 198 ion, so it is difficult to determine whether a m/z 198 ion is the [M+NH4]+ ion of glucose or merely a sample fragment ion most likely an ammoniated monosaccharide fragment.\n
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\n \n\n \n \n \n \n \n \n Combination of Solid-Phase Micro-Extraction and Direct Analysis in Real Time-Fourier Transform Ion Cyclotron Resonance Mass Spectrometry for Sensitive and Rapid Analysis of 15 Phthalate Plasticizers in Beverages.\n \n \n \n \n\n\n \n Wu, M.; Wang, H.; Dong, G.; Musselman, B. D.; Liu, C. C.; and Guo, Y.\n\n\n \n\n\n\n Chinese Journal of Chemistry,n/a–n/a. 2014.\n 00000\n\n\n\n
\n\n\n\n \n \n \"CombinationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wu_combination_2014,\n\ttitle = {Combination of {Solid}-{Phase} {Micro}-{Extraction} and {Direct} {Analysis} in {Real} {Time}-{Fourier} {Transform} {Ion} {Cyclotron} {Resonance} {Mass} {Spectrometry} for {Sensitive} and {Rapid} {Analysis} of 15 {Phthalate} {Plasticizers} in {Beverages}},\n\tissn = {1614-7065},\n\turl = {http://dx.doi.org/10.1002/cjoc.201400564},\n\tdoi = {10.1002/cjoc.201400564},\n\tabstract = {A method for rapid identification and quantification of phthalate plasticizers in beverages was developed. A number of 15 phthalate plasticizers which covered all the phthalates concerned in the US Consumer Product Safety Improvement Act (CPSIA), European Union legislations and Chinese national standards (GB) were analyzed. By a combined solid-phase micro-extraction (SPME) and direct analysis in real time mass spectrometry (DART-MS) approach, phthalates at sub-ng·mL−1 levels can be qualitatively and quantitatively analyzed in a short time. The use of ultrahigh-resolving power and the accurate mass measurement capacity naturally provided by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) minimizes the matrix interferences and thus enables the evaluation of phthalates in a complex matrix without extensive sample handlings or preparations. The limits of quantification (LOQs) were estimated to be at 0.3–5.0 ng·mL−1, lower than the Maximum Residue Limit (MRL) regulated by the European Union legislations (2007/19/EC) in foods, beverages, food packaging and toys (0.3–30 ng·mL−1). This rapid and easy-to-use SPME-DART-FT-ICR-MS method provided a relatively high-throughput and powerful analytical approach for quick testing and screening phthalates in beverages and water samples to ensure food safety.},\n\tjournal = {Chinese Journal of Chemistry},\n\tauthor = {Wu, Mengxi and Wang, Haoyang and Dong, Guoqing and Musselman, Brian D. and Liu, Charles C. and Guo, Yinlong},\n\tyear = {2014},\n\tnote = {00000},\n\tkeywords = {Direct analysis in real time, Fourier transform ion cyclotron resonance mass spectrometry, Phthalates, solid-phase micro-extraction},\n\tpages = {n/a--n/a},\n}\n\n\n\n
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\n A method for rapid identification and quantification of phthalate plasticizers in beverages was developed. A number of 15 phthalate plasticizers which covered all the phthalates concerned in the US Consumer Product Safety Improvement Act (CPSIA), European Union legislations and Chinese national standards (GB) were analyzed. By a combined solid-phase micro-extraction (SPME) and direct analysis in real time mass spectrometry (DART-MS) approach, phthalates at sub-ng·mL−1 levels can be qualitatively and quantitatively analyzed in a short time. The use of ultrahigh-resolving power and the accurate mass measurement capacity naturally provided by Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) minimizes the matrix interferences and thus enables the evaluation of phthalates in a complex matrix without extensive sample handlings or preparations. The limits of quantification (LOQs) were estimated to be at 0.3–5.0 ng·mL−1, lower than the Maximum Residue Limit (MRL) regulated by the European Union legislations (2007/19/EC) in foods, beverages, food packaging and toys (0.3–30 ng·mL−1). This rapid and easy-to-use SPME-DART-FT-ICR-MS method provided a relatively high-throughput and powerful analytical approach for quick testing and screening phthalates in beverages and water samples to ensure food safety.\n
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\n \n\n \n \n \n \n \n \n Rapid Process Development of Chromatographic Process Using Direct Analysis in Real Time Mass Spectrometry as a Process Analytical Technology Tool.\n \n \n \n \n\n\n \n Yan, B.; Chen, T.; Xu, Z.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 94: 106–110. 2014.\n 00003\n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{yan_rapid_2014,\n\ttitle = {Rapid {Process} {Development} of {Chromatographic} {Process} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} as a {Process} {Analytical} {Technology} {Tool}},\n\tvolume = {94},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708514000703},\n\tdoi = {10.1016/j.jpba.2014.01.033},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Yan, Binjun and Chen, Teng and Xu, Zhilin and Qu, Haibin},\n\tyear = {2014},\n\tnote = {00003},\n\tkeywords = {Chromatographic process, Direct analysis in real time mass spectrometry, Ginkgolides, Process analytical technology, Quality by design, Rapid process development},\n\tpages = {106--110},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n On-line coupling of macroporous resin column chromatography with direct analysis in real time mass spectrometry utilizing a surface flowing mode sample holder.\n \n \n \n \n\n\n \n Zeng, S.; Wang, L.; Chen, T.; and Qu, H.\n\n\n \n\n\n\n Analytica Chimica Acta, 811: 43–50. 2014.\n 00001\n\n\n\n
\n\n\n\n \n \n \"On-linePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zeng_-line_2014,\n\ttitle = {On-line coupling of macroporous resin column chromatography with direct analysis in real time mass spectrometry utilizing a surface flowing mode sample holder},\n\tvolume = {811},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267013015286},\n\tdoi = {10.1016/j.aca.2013.12.014},\n\tabstract = {Abstract\nA surface flowing mode sample holder was designed as an alternative sampling strategy for direct analysis in real time mass spectrometry (DART-MS). With the sample holder, the on-line coupling of macroporous resin column chromatography with DART-MS was explored and the then achieved through the sample holder. This new hyphenated system was employed to monitor the column chromatography elution process of Panax notoginseng's column chromatography. The effluent from macroporous resin column was first diluted and then mixed with a derivatization reagent on-line, and. After that, the mixture was then directly transferred into the ionization region of DART-MS by the sample holder. Notoginsenosides were methylated and ionized in a metastable helium gas stream, and was introduced then led into MS for the detection. Theis on-line system showed reasonable repeatability with the a relative standard deviations of 12.3\\% for the peak area. Three notoginsenosides, including i.e. notoginsenoside R1, ginsenoside Rb1 and ginsenoside Rg1, were simultaneously determined during the eluting process. The alteration of the chemical composition in the effluent was rapidly and accurately identified in 9 min, which agreed agreeing well with the off-line analysis determination output. Compared with UPLC method, The presented technique is was more sensitive and convenient compared to the traditional UPLC method. This studyThese results suggested that the surface flowing mode DART-MS could be used for has a good potential for the on-line process monitoring in the pharmaceutical industry.},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zeng, Shanshan and Wang, Lu and Chen, Teng and Qu, Haibin},\n\tyear = {2014},\n\tnote = {00001},\n\tkeywords = {Direct analysis in real time mass spectrometry, Macroporous resin column chromatography, On-line monitoring, Panax notoginseng, Surface flowing mode sample holder},\n\tpages = {43--50},\n}\n\n\n\n
\n
\n\n\n
\n Abstract A surface flowing mode sample holder was designed as an alternative sampling strategy for direct analysis in real time mass spectrometry (DART-MS). With the sample holder, the on-line coupling of macroporous resin column chromatography with DART-MS was explored and the then achieved through the sample holder. This new hyphenated system was employed to monitor the column chromatography elution process of Panax notoginseng's column chromatography. The effluent from macroporous resin column was first diluted and then mixed with a derivatization reagent on-line, and. After that, the mixture was then directly transferred into the ionization region of DART-MS by the sample holder. Notoginsenosides were methylated and ionized in a metastable helium gas stream, and was introduced then led into MS for the detection. Theis on-line system showed reasonable repeatability with the a relative standard deviations of 12.3% for the peak area. Three notoginsenosides, including i.e. notoginsenoside R1, ginsenoside Rb1 and ginsenoside Rg1, were simultaneously determined during the eluting process. The alteration of the chemical composition in the effluent was rapidly and accurately identified in 9 min, which agreed agreeing well with the off-line analysis determination output. Compared with UPLC method, The presented technique is was more sensitive and convenient compared to the traditional UPLC method. This studyThese results suggested that the surface flowing mode DART-MS could be used for has a good potential for the on-line process monitoring in the pharmaceutical industry.\n
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\n \n\n \n \n \n \n \n \n Detection of trace palladium by direct analysis in real time mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Zhang, Q.; Bethke, J.; and Patek, M.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 374(0): 39–43. December 2014.\n 00000\n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zhang_detection_2014,\n\ttitle = {Detection of trace palladium by direct analysis in real time mass spectrometry ({DART}-{MS})},\n\tvolume = {374},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380614004370},\n\tdoi = {10.1016/j.ijms.2014.10.014},\n\tabstract = {Abstract\nA detection method for palladium by direct analysis in real time (DART-MS) was developed. The method was used for the detection and semi-quantification of palladium in compound samples for which palladium was used during synthesis from compound collections in early drug discovery. The samples containing palladium were mixed with the chelating agent 4-methyl-piperazine-1-carbodithioate and a palladium chelating complex was subsequently formed and detected by DART-MS. The distinct isotopic pattern of palladium was observed and used for its qualitative identification. Semi-quantification was performed based on the peak areas of the extracted ion currents for the four most abundant isotope peaks at m/z 456, 457, 459 and 461. The limit of detection for this method was observed to be 1.2 μM (120 ppb). With DART ionization, rapid analysis of 18 s per sample was achieved with low carryover. Different solvents and chelating agents were also tested for this analysis, and satisfactory signal intensity was obtained using both volatile and nonvolatile solvents.},\n\tnumber = {0},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Zhang, Qingfen and Bethke, Jennifer and Patek, Marcel},\n\tmonth = dec,\n\tyear = {2014},\n\tnote = {00000},\n\tkeywords = {DART, Early drug discovery, Metal analysis, Palladium, mass spectrometry},\n\tpages = {39--43},\n}\n\n\n\n
\n
\n\n\n
\n Abstract A detection method for palladium by direct analysis in real time (DART-MS) was developed. The method was used for the detection and semi-quantification of palladium in compound samples for which palladium was used during synthesis from compound collections in early drug discovery. The samples containing palladium were mixed with the chelating agent 4-methyl-piperazine-1-carbodithioate and a palladium chelating complex was subsequently formed and detected by DART-MS. The distinct isotopic pattern of palladium was observed and used for its qualitative identification. Semi-quantification was performed based on the peak areas of the extracted ion currents for the four most abundant isotope peaks at m/z 456, 457, 459 and 461. The limit of detection for this method was observed to be 1.2 μM (120 ppb). With DART ionization, rapid analysis of 18 s per sample was achieved with low carryover. Different solvents and chelating agents were also tested for this analysis, and satisfactory signal intensity was obtained using both volatile and nonvolatile solvents.\n
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\n \n\n \n \n \n \n \n \n Rapid detection by direct analysis in real time-mass spectrometry (DART-MS) of psychoactive plant drugs of abuse: The case of Mitragyna speciosa aka “Kratom”.\n \n \n \n \n\n\n \n Lesiak, A. D.; Cody, R. B.; Dane, A. J.; and Musah, R. A.\n\n\n \n\n\n\n Forensic Science International, 242(0): 210–218. September 2014.\n 00000\n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{lesiak_rapid_2014,\n\ttitle = {Rapid detection by direct analysis in real time-mass spectrometry ({DART}-{MS}) of psychoactive plant drugs of abuse: {The} case of {Mitragyna} speciosa aka “{Kratom}”},\n\tvolume = {242},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073814002898},\n\tdoi = {10.1016/j.forsciint.2014.07.005},\n\tabstract = {Abstract\nMitragyna speciosa, also known commonly as “Kratom” or “Ketum”, is a plant with psychoactive properties that have been attributed to the presence of various indole alkaloids such as mitragynine and 7-hydroxymitragynine. M. speciosa use is gaining popularity internationally as a natural and legal alternative to narcotics. As a drug of abuse, its detection and identification are not straightforward, since M. speciosa plant material is not particularly distinctive. Here, we show that direct analysis in real time-mass spectrometry (DART-MS) can be used not only to rapidly identify M. speciosa plant material and distinguish it from other plants, but also to distinguish between M. speciosa plant varieties, based on differences between their chemical profiles. The method is rapid and the analysis expeditious. Plant material such as that found at a crime scene can be analyzed directly with no sample pre-preparation steps. Furthermore, we show that the basis set of principal components that permit characterization of the plant material can be used to positively identify M. speciosa.},\n\tnumber = {0},\n\tjournal = {Forensic Science International},\n\tauthor = {Lesiak, Ashton D. and Cody, Robert B. and Dane, A. John and Musah, Rabi A.},\n\tmonth = sep,\n\tyear = {2014},\n\tnote = {00000},\n\tkeywords = {DART-MS, Forensic analysis, Kratom, Legal drug alternatives, Mitragyna speciosa, mass spectrometry},\n\tpages = {210--218},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Mitragyna speciosa, also known commonly as “Kratom” or “Ketum”, is a plant with psychoactive properties that have been attributed to the presence of various indole alkaloids such as mitragynine and 7-hydroxymitragynine. M. speciosa use is gaining popularity internationally as a natural and legal alternative to narcotics. As a drug of abuse, its detection and identification are not straightforward, since M. speciosa plant material is not particularly distinctive. Here, we show that direct analysis in real time-mass spectrometry (DART-MS) can be used not only to rapidly identify M. speciosa plant material and distinguish it from other plants, but also to distinguish between M. speciosa plant varieties, based on differences between their chemical profiles. The method is rapid and the analysis expeditious. Plant material such as that found at a crime scene can be analyzed directly with no sample pre-preparation steps. Furthermore, we show that the basis set of principal components that permit characterization of the plant material can be used to positively identify M. speciosa.\n
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\n \n\n \n \n \n \n \n \n DART-MS for rapid, preliminary screening of urine for DMAA.\n \n \n \n \n\n\n \n Lesiak, A. D.; Adams, K. J.; Domin, M. A.; Henck, C.; and Shepard, J. R. E.\n\n\n \n\n\n\n Drug Testing and Analysis, 6(7-8): 788–796. 2014.\n 00006\n\n\n\n
\n\n\n\n \n \n \"DART-MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{lesiak_dart-ms_2014,\n\ttitle = {{DART}-{MS} for rapid, preliminary screening of urine for {DMAA}},\n\tvolume = {6},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.1540},\n\tdoi = {10.1002/dta.1540},\n\tabstract = {Dimethylamylamine (DMAA) is a sympathomimetic amine found in weight-loss/workout supplements or used as an appetite suppressant. DMAA is a stimulant that is banned by the World Anti-Doping Agency (WADA). Adverse health effects as well as fatalities have been implicated with its use. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization method that was employed to rapidly identify the presence of DMAA in various samples without any extraction or preparations whatsoever. DMAA was first identified in supplements, sampled directly in their solid forms. Furthermore, DMAA was detected directly in urine over 48 h as a means of indicating recent abuse of the substance. DART-MS analysis is instantaneous, and coupled with the high mass accuracy associated with the time-of-flight mass analyzer, results in unequivocal identification of the presence of DMAA. These features demonstrate DART-MS as an attractive potential alternative screening method for the presence of drugs and medications or for toxicological investigations. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {7-8},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Lesiak, Ashton D. and Adams, Kendra J. and Domin, Marek A. and Henck, Colin and Shepard, Jason R. E.},\n\tyear = {2014},\n\tnote = {00006},\n\tkeywords = {DART-MS, DMAA, Direct analysis in real time mass spectrometry, collision induced dissociation, natural supplements, urine testing},\n\tpages = {788--796},\n}\n\n\n\n
\n
\n\n\n
\n Dimethylamylamine (DMAA) is a sympathomimetic amine found in weight-loss/workout supplements or used as an appetite suppressant. DMAA is a stimulant that is banned by the World Anti-Doping Agency (WADA). Adverse health effects as well as fatalities have been implicated with its use. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization method that was employed to rapidly identify the presence of DMAA in various samples without any extraction or preparations whatsoever. DMAA was first identified in supplements, sampled directly in their solid forms. Furthermore, DMAA was detected directly in urine over 48 h as a means of indicating recent abuse of the substance. DART-MS analysis is instantaneous, and coupled with the high mass accuracy associated with the time-of-flight mass analyzer, results in unequivocal identification of the presence of DMAA. These features demonstrate DART-MS as an attractive potential alternative screening method for the presence of drugs and medications or for toxicological investigations. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Humidity Affects Relative Ion Abundance in DART Mass Spectrometry of Hexamethylene Triperoxide Diamine.\n \n \n \n \n\n\n \n Newsome, G. A.; Ackerman, L. K; and Johnson, K. J.\n\n\n \n\n\n\n Analytical Chemistry. November 2014.\n \n\n\n\n
\n\n\n\n \n \n \"HumidityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{newsome_humidity_2014,\n\ttitle = {Humidity {Affects} {Relative} {Ion} {Abundance} in {DART} {Mass} {Spectrometry} of {Hexamethylene} {Triperoxide} {Diamine}},\n\tissn = {0003-2700},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac503652x},\n\tdoi = {10.1021/ac503652x},\n\tabstract = {Unstable explosive hexamethylene triperoxide diamine (HMTD) is dangerous in quantity and benefits from the minimal sampling handling associated with atmospheric pressure chemical ionization for mass spectral analysis. Seasonal variation observed in HMTD mass spectra suggested a humidity dependence. Therefore direct analysis in real time (DART?) ionization mass spectra were acquired at a range of humidity values. An enclosure was designed to fit around the ion source and mass spectrometer inlet at atmospheric pressure. The enclosure was supplied with controlled amounts of humidified air from a test atmosphere generator to create programmable conditions for ambient analysis. The relative abundance and fragmentation of analyte ions were observed to change reliably with changing humidity values and to a lesser degree, temperature. Humidity at such plasma-based ion sources should be regulated to avoid {\\textasciitilde}90 \\% shifts in relative ion abundance and provide stability and reproducibility of HMTD analysis.},\n\turldate = {2014-12-01},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Newsome, G. Asher and Ackerman, Luke K and Johnson, Kevin J.},\n\tmonth = nov,\n\tyear = {2014},\n}\n\n\n\n
\n
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\n Unstable explosive hexamethylene triperoxide diamine (HMTD) is dangerous in quantity and benefits from the minimal sampling handling associated with atmospheric pressure chemical ionization for mass spectral analysis. Seasonal variation observed in HMTD mass spectra suggested a humidity dependence. Therefore direct analysis in real time (DART?) ionization mass spectra were acquired at a range of humidity values. An enclosure was designed to fit around the ion source and mass spectrometer inlet at atmospheric pressure. The enclosure was supplied with controlled amounts of humidified air from a test atmosphere generator to create programmable conditions for ambient analysis. The relative abundance and fragmentation of analyte ions were observed to change reliably with changing humidity values and to a lesser degree, temperature. Humidity at such plasma-based ion sources should be regulated to avoid ~90 % shifts in relative ion abundance and provide stability and reproducibility of HMTD analysis.\n
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\n \n\n \n \n \n \n \n \n High throughput analysis of four Sudan dyes using direct analysis in real time-mass spectrometry.\n \n \n \n \n\n\n \n Li, Z.; Zhang, Y.; Zhang, Y.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical Methods. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"HighPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{li_high_2014,\n\ttitle = {High throughput analysis of four {Sudan} dyes using direct analysis in real time-mass spectrometry},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C4AY02409E},\n\tdoi = {10.1039/C4AY02409E},\n\tabstract = {A simple direct analysis in real time-mass spectrometry (DART-MS) method was developed for high throughput determination of four Sudan dyes (I-IV) in chili powder. Simple liquid extraction by hexane without further clean-up was used for sample preparation. DART parameters were systematically optimized to achieve the best detection performance. DIP-it sampler was used for automatic sampling. Matrix effect was measured by comparing the limit of detection (LOD) in matrix solution with that in pure organic solution. Eventually, the identification of the Sudan dyes was confirmed by MS/MS results and LOD for four analytes in matrix solution was ?0.5 [small mu ]g/mL. The method showed good linearity with correlation coefficients (R2) greater than 0.99 for concentrations ranging from 1 to 20 [small mu ]g/mL. The whole analytical process could be completed within 15 minutes with good recoveries (88-116\\%) and satisfactory repeatability ({\\textless}26\\%, n=3).},\n\tjournal = {Analytical Methods},\n\tauthor = {Li, Ze and Zhang, Yi-Wei and Zhang, Yiding and Bai, Yu and Liu, Huwei},\n\tyear = {2014},\n}\n\n\n\n
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\n A simple direct analysis in real time-mass spectrometry (DART-MS) method was developed for high throughput determination of four Sudan dyes (I-IV) in chili powder. Simple liquid extraction by hexane without further clean-up was used for sample preparation. DART parameters were systematically optimized to achieve the best detection performance. DIP-it sampler was used for automatic sampling. Matrix effect was measured by comparing the limit of detection (LOD) in matrix solution with that in pure organic solution. Eventually, the identification of the Sudan dyes was confirmed by MS/MS results and LOD for four analytes in matrix solution was ?0.5 [small mu ]g/mL. The method showed good linearity with correlation coefficients (R2) greater than 0.99 for concentrations ranging from 1 to 20 [small mu ]g/mL. The whole analytical process could be completed within 15 minutes with good recoveries (88-116%) and satisfactory repeatability (\\textless26%, n=3).\n
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\n \n\n \n \n \n \n \n \n Thin-layer chromatography/direct analysis in real time time-of-flight mass spectrometry and isotope dilution to analyze organophosphorus insecticides in fatty foods.\n \n \n \n \n\n\n \n Kiguchi, O.; Oka, K.; Tamada, M.; Kobayashi, T.; and Onodera, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1370(0): 246–254. November 2014.\n \n\n\n\n
\n\n\n\n \n \n \"Thin-layerPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{kiguchi_thin-layer_2014,\n\ttitle = {Thin-layer chromatography/direct analysis in real time time-of-flight mass spectrometry and isotope dilution to analyze organophosphorus insecticides in fatty foods},\n\tvolume = {1370},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967314016094},\n\tdoi = {10.1016/j.chroma.2014.10.037},\n\tabstract = {Abstract\nTo assess food safety emergencies caused by highly hazardous chemical-tainted foods, simultaneous analysis of organophosphorus insecticides in fatty foods such as precooked foods was conducted using thin-layer chromatography/direct analysis in real time time-of-flight mass spectrometry (TLC/DART-TOFMS) and isotope dilution technique. Polar (methamidophos and acephate) and nonpolar organophosphorus insecticides (fenitrothion, diazinon, and EPN) were studied. Experiments to ascertain chromatographic patterns using TLC/DART-TOFMS reveal that it was more useful than GC/MS or GC/MS/MS for the simultaneous analyses of polar and nonpolar pesticides, while obviating the addition of a protective agent for tailing effects of polar pesticides. Lower helium gas temperature (260 °C) for DART-TOFMS was suitable for the simultaneous analysis of target pesticides. Linearities were achieved respectively at a lower standard concentration range (0.05–5 μg) for diazinon and EPN and at a higher standard concentration range (2.5–25 μg) for methamidophos, acephate, and fenitrothion. Their respective coefficients of determination were ≥0.9989 and ≥0.9959. A few higher repeatabilities (RSDs) for diazinon and EPN were found (\\&gt;20\\%), although isotope dilution technique was used. Application to the HPTLC plate without an automatic TLC sampler might be inferred as a cause of their higher RSDs. Detection limits were estimated in the higher picogram range for diazinon and EPN, and in the lower nanogram range for methamidophos, acephate, and fenitrothion. Aside from methamidophos, recovery results (n = 3) obtained using a highly insecticide-tainted fatty food (dumpling) and raw food (grapefruit) samples (10 mg/kg) using TLC/DART-TOFMS with both complex and simpler cleanups were not as susceptible to matrix effects (95–121\\%; RSD, 1.3–14\\%) as those using GC/MS/MS (102–117\\%; RSD, 0.4–8.5\\%), although dumpling samples using GC/MS were remarkably susceptible to matrix effects. The coupled method of TLC with simpler cleanup and DART-TOFMS can be regarded as the same analytical tool as GC/MS/MS, which is useful to assess food safety emergencies caused by highly hazardous chemical-tainted foods.},\n\tnumber = {0},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Kiguchi, Osamu and Oka, Kazuko and Tamada, Masafumi and Kobayashi, Takashi and Onodera, Jun},\n\tmonth = nov,\n\tyear = {2014},\n\tkeywords = {direct analysis in real time/time-of-flight mass spectrometry, fatty food, food safety emergency, isotope dilution technique, organophosphorus insecticide, thin layer chromatography},\n\tpages = {246--254},\n}\n\n\n\n
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\n Abstract To assess food safety emergencies caused by highly hazardous chemical-tainted foods, simultaneous analysis of organophosphorus insecticides in fatty foods such as precooked foods was conducted using thin-layer chromatography/direct analysis in real time time-of-flight mass spectrometry (TLC/DART-TOFMS) and isotope dilution technique. Polar (methamidophos and acephate) and nonpolar organophosphorus insecticides (fenitrothion, diazinon, and EPN) were studied. Experiments to ascertain chromatographic patterns using TLC/DART-TOFMS reveal that it was more useful than GC/MS or GC/MS/MS for the simultaneous analyses of polar and nonpolar pesticides, while obviating the addition of a protective agent for tailing effects of polar pesticides. Lower helium gas temperature (260 °C) for DART-TOFMS was suitable for the simultaneous analysis of target pesticides. Linearities were achieved respectively at a lower standard concentration range (0.05–5 μg) for diazinon and EPN and at a higher standard concentration range (2.5–25 μg) for methamidophos, acephate, and fenitrothion. Their respective coefficients of determination were ≥0.9989 and ≥0.9959. A few higher repeatabilities (RSDs) for diazinon and EPN were found (>20%), although isotope dilution technique was used. Application to the HPTLC plate without an automatic TLC sampler might be inferred as a cause of their higher RSDs. Detection limits were estimated in the higher picogram range for diazinon and EPN, and in the lower nanogram range for methamidophos, acephate, and fenitrothion. Aside from methamidophos, recovery results (n = 3) obtained using a highly insecticide-tainted fatty food (dumpling) and raw food (grapefruit) samples (10 mg/kg) using TLC/DART-TOFMS with both complex and simpler cleanups were not as susceptible to matrix effects (95–121%; RSD, 1.3–14%) as those using GC/MS/MS (102–117%; RSD, 0.4–8.5%), although dumpling samples using GC/MS were remarkably susceptible to matrix effects. The coupled method of TLC with simpler cleanup and DART-TOFMS can be regarded as the same analytical tool as GC/MS/MS, which is useful to assess food safety emergencies caused by highly hazardous chemical-tainted foods.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time-Mass Spectrometry for the Rapid Detection of Metabolites of Aconite Alkaloids in Intestinal Bacteria.\n \n \n \n \n\n\n \n Li, X.; Hou, G.; Xing, J.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry,1–4. September 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{li_direct_2014,\n\ttitle = {Direct {Analysis} in {Real} {Time}-{Mass} {Spectrometry} for the {Rapid} {Detection} of {Metabolites} of {Aconite} {Alkaloids} in {Intestinal} {Bacteria}},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-014-0991-z},\n\tdoi = {10.1007/s13361-014-0991-z},\n\tabstract = {In the present work, direct analysis of real time ionization combined with multi-stage tandem mass spectrometry (DART-MSn) was used to investigate the metabolic profile of aconite alkaloids in rat intestinal bacteria. A total of 36 metabolites from three aconite alkaloids were identified by using DART-MSn, and the feasibility of quantitative analysis of these analytes was examined. Key parameters of the DART ion source, such as helium gas temperature and pressure, the source-to-MS distance, and the speed of the autosampler, were optimized to achieve high sensitivity, enhance reproducibility, and reduce the occurrence of fragmentation. The instrument analysis time for one sample can be less than 10 s for this method. Compared with ESI-MS and UPLC-MS, the DART-MS is more efficient for directly detecting metabolic samples, and has the advantage of being a simple, high-speed, high-throughput method.},\n\tlanguage = {English},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Li, Xue and Hou, Guangyue and Xing, Junpeng and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tmonth = sep,\n\tyear = {2014},\n\tkeywords = {Diester-diterpenoid alkaloid, In-situ analysis, Intestinal bacteria, Metabolite, Qualitative and quantitative analysis},\n\tpages = {1--4},\n}\n\n\n\n
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\n In the present work, direct analysis of real time ionization combined with multi-stage tandem mass spectrometry (DART-MSn) was used to investigate the metabolic profile of aconite alkaloids in rat intestinal bacteria. A total of 36 metabolites from three aconite alkaloids were identified by using DART-MSn, and the feasibility of quantitative analysis of these analytes was examined. Key parameters of the DART ion source, such as helium gas temperature and pressure, the source-to-MS distance, and the speed of the autosampler, were optimized to achieve high sensitivity, enhance reproducibility, and reduce the occurrence of fragmentation. The instrument analysis time for one sample can be less than 10 s for this method. Compared with ESI-MS and UPLC-MS, the DART-MS is more efficient for directly detecting metabolic samples, and has the advantage of being a simple, high-speed, high-throughput method.\n
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\n \n\n \n \n \n \n \n \n Detection of “Bath Salt” Synthetic Cathinones and Metabolites in Urine via DART-MS and Solid Phase Microextraction.\n \n \n \n \n\n\n \n LaPointe, J.; Musselman, B.; O’Neill, T.; and Shepard, J.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry,1–7. October 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{lapointe_detection_2014,\n\ttitle = {Detection of “{Bath} {Salt}” {Synthetic} {Cathinones} and {Metabolites} in {Urine} via {DART}-{MS} and {Solid} {Phase} {Microextraction}},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-014-1006-9},\n\tdoi = {10.1007/s13361-014-1006-9},\n\tabstract = {A rapid and sensitive method, direct analysis in real time mass spectrometry (DART-MS) was applied to the characterization and semiquantitative analysis of synthetic cathinones and their metabolites in urine. DART-MS was capable of detecting three different cathinones and three metabolites down to sub-clinical levels directly without any sample preparations. The process produced a spectrum within seconds because no extraction or derivatization was required for analysis and the high mass accuracy of the instrumentation allowed analysis without the need for lengthy chromatographic separations. The use of solid phase microextration demonstrated a relative increase in the detectability of both drugs and metabolites, improving the detection signal on average more than an order of magnitude over direct detection, while providing cleaner spectra devoid of the major peaks associated with urine that oftentimes dominate such samples.},\n\tlanguage = {English},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {LaPointe, Joseph and Musselman, Brian and O’Neill, Teresa and Shepard, JasonR.E.},\n\tmonth = oct,\n\tyear = {2014},\n\tkeywords = {Cathinones, Direct analysis in real time, Solid phase microextraction, Urine analysis, mass spectrometry},\n\tpages = {1--7},\n}\n\n\n\n
\n
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\n A rapid and sensitive method, direct analysis in real time mass spectrometry (DART-MS) was applied to the characterization and semiquantitative analysis of synthetic cathinones and their metabolites in urine. DART-MS was capable of detecting three different cathinones and three metabolites down to sub-clinical levels directly without any sample preparations. The process produced a spectrum within seconds because no extraction or derivatization was required for analysis and the high mass accuracy of the instrumentation allowed analysis without the need for lengthy chromatographic separations. The use of solid phase microextration demonstrated a relative increase in the detectability of both drugs and metabolites, improving the detection signal on average more than an order of magnitude over direct detection, while providing cleaner spectra devoid of the major peaks associated with urine that oftentimes dominate such samples.\n
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\n \n\n \n \n \n \n \n \n Desorption atmospheric pressure photoionization and direct analysis in real time coupled with travelling wave ion mobility mass spectrometry.\n \n \n \n \n\n\n \n Räsänen, R.; Dwivedi, P.; Fernández, F. M.; and Kauppila, T. J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 28(21): 2325–2336. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DesorptionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{rasanen_desorption_2014,\n\ttitle = {Desorption atmospheric pressure photoionization and direct analysis in real time coupled with travelling wave ion mobility mass spectrometry},\n\tvolume = {28},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.7028},\n\tdoi = {10.1002/rcm.7028},\n\tabstract = {RATIONALE\n\nAmbient mass spectrometry (MS) is a tool for screening analytes directly from sample surfaces. However, background impurities may complicate the spectra and therefore fast separation techniques are needed. Here, we demonstrate the use of travelling wave ion mobility spectrometry in a comparative study of two ambient MS techniques.\n\nMETHODS\n\nDesorption atmospheric pressure photoionization (DAPPI) and direct analysis in real time (DART) were coupled with travelling wave ion mobility mass spectrometry (TWIM-MS) for highly selective surface analysis. The ionization efficiencies of DAPPI and DART were compared. Test compounds were: bisphenol A, benzo[a]pyrene, ranitidine, cortisol and α-tocopherol. DAPPI-MS and DART-TWIM-MS were also applied to the analysis of chloroquine from dried blood spots, and α-tocopherol from almond surface, and DAPPI-TWIM-MS was applied to analysis of pharmaceuticals and multivitamin tablets.\n\nRESULTS\n\nDAPPI was approximately 100 times more sensitive than DART for bisphenol A and 10–20 times more sensitive for the other compounds. The limits of detection were between 30–290 and 330–8200 fmol for DAPPI and DART, respectively. Also, from the authentic samples, DAPPI ionized chloroquine and α-tocopherol more efficiently than DART. The mobility separation enabled the detection of species with low signal intensities, e.g. thiamine and cholecalciferol, in the DAPPI-TWIM-MS analysis of multivitamin tablets.\n\nCONCLUSIONS\n\nDAPPI ionized the studied compounds of interest more efficiently than DART. For both DAPPI and DART, the mobility separation prior to MS analysis reduced the amount of chemical noise in the mass spectrum and significantly increased the signal-to-noise ratio for the analytes. Copyright © 2014 John Wiley \\& Sons, Ltd.},\n\tnumber = {21},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Räsänen, Riikka-Marjaana and Dwivedi, Prabha and Fernández, Facundo M. and Kauppila, Tiina J.},\n\tyear = {2014},\n\tpages = {2325--2336},\n}\n\n\n\n
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\n RATIONALE Ambient mass spectrometry (MS) is a tool for screening analytes directly from sample surfaces. However, background impurities may complicate the spectra and therefore fast separation techniques are needed. Here, we demonstrate the use of travelling wave ion mobility spectrometry in a comparative study of two ambient MS techniques. METHODS Desorption atmospheric pressure photoionization (DAPPI) and direct analysis in real time (DART) were coupled with travelling wave ion mobility mass spectrometry (TWIM-MS) for highly selective surface analysis. The ionization efficiencies of DAPPI and DART were compared. Test compounds were: bisphenol A, benzo[a]pyrene, ranitidine, cortisol and α-tocopherol. DAPPI-MS and DART-TWIM-MS were also applied to the analysis of chloroquine from dried blood spots, and α-tocopherol from almond surface, and DAPPI-TWIM-MS was applied to analysis of pharmaceuticals and multivitamin tablets. RESULTS DAPPI was approximately 100 times more sensitive than DART for bisphenol A and 10–20 times more sensitive for the other compounds. The limits of detection were between 30–290 and 330–8200 fmol for DAPPI and DART, respectively. Also, from the authentic samples, DAPPI ionized chloroquine and α-tocopherol more efficiently than DART. The mobility separation enabled the detection of species with low signal intensities, e.g. thiamine and cholecalciferol, in the DAPPI-TWIM-MS analysis of multivitamin tablets. CONCLUSIONS DAPPI ionized the studied compounds of interest more efficiently than DART. For both DAPPI and DART, the mobility separation prior to MS analysis reduced the amount of chemical noise in the mass spectrum and significantly increased the signal-to-noise ratio for the analytes. Copyright © 2014 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Characterization of mustard seeds and paste by DART ionization with time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Prchalová, J.; Kovařík, F.; Ševčík, R.; Čížková, H.; and Rajchl, A.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 49(9): 811–818. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{prchalova_characterization_2014,\n\ttitle = {Characterization of mustard seeds and paste by {DART} ionization with time-of-flight mass spectrometry},\n\tvolume = {49},\n\tissn = {1096-9888},\n\turl = {http://dx.doi.org/10.1002/jms.3419},\n\tdoi = {10.1002/jms.3419},\n\tabstract = {Direct analysis in real time (DART) is a novel technique with great potential for rapid screening analysis. The DART ionization method coupled with high-resolution time-of-flight mass spectrometry (TOF-MS) has been used for characterization of mustard seeds and table mustard. The possibility to use DART to analyse glucosinolates was confirmed on determination of sinalbin (4-hydroxybenzyl glucosinolate). The DART-TOF-MS method was optimized and validated. A set of samples of mustard seeds and mustard products was analyzed. High-performance liquid chromatography and DART-TOF-MS were used to determine glucosinolates in mustard seeds and compared. The correlation equation between these methods was DART = 0.797*HPLC + 6.987, R2 = 0.972. The DART technique seems to be a suitable method for evaluation of the quality of mustard seeds and mustard products. Copyright © 2014 John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Prchalová, Jana and Kovařík, František and Ševčík, Rudolf and Čížková, Helena and Rajchl, Aleš},\n\tyear = {2014},\n\tkeywords = {DART, HPLC, fingerprints, mass spectrometry, mustard, mustard seed, sinalbin},\n\tpages = {811--818},\n}\n\n\n\n
\n
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\n Direct analysis in real time (DART) is a novel technique with great potential for rapid screening analysis. The DART ionization method coupled with high-resolution time-of-flight mass spectrometry (TOF-MS) has been used for characterization of mustard seeds and table mustard. The possibility to use DART to analyse glucosinolates was confirmed on determination of sinalbin (4-hydroxybenzyl glucosinolate). The DART-TOF-MS method was optimized and validated. A set of samples of mustard seeds and mustard products was analyzed. High-performance liquid chromatography and DART-TOF-MS were used to determine glucosinolates in mustard seeds and compared. The correlation equation between these methods was DART = 0.797*HPLC + 6.987, R2 = 0.972. The DART technique seems to be a suitable method for evaluation of the quality of mustard seeds and mustard products. Copyright © 2014 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry for rapid screening and quantitative determination of cholesterol in egg pasta.\n \n \n \n \n\n\n \n Al-Balaa, D.; Rajchl, A.; Grégrová, A.; Ševčík, R.; and Čížková, H.\n\n\n \n\n\n\n Journal of Mass Spectrometry, 49(9): 911–917. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{al-balaa_dart_2014,\n\ttitle = {{DART} mass spectrometry for rapid screening and quantitative determination of cholesterol in egg pasta},\n\tvolume = {49},\n\tissn = {1096-9888},\n\turl = {http://dx.doi.org/10.1002/jms.3465},\n\tdoi = {10.1002/jms.3465},\n\tabstract = {To ensure that egg-containing products, such as dried eggs and egg pasta, conform to the technological and legislative requirements for egg content, methods are needed to determine the amount of cholesterol in such products. The conventional approach, direct saponification and hexane extraction followed by cholesterol determination by gas chromatography coupled to a flame ionization detector, is very time consuming. Therefore, we developed a rapid method on the basis of direct analysis in real time coupled to time-of-flight mass spectrometry. Samples were prepared simply by solvent extraction followed by extract filtration. The optimization of certain parameters, including the solvent used and direct analysis in real time ionization gas temperature, had a pronounced effect on the intensities of the produced ions, in particular, the molecular and dehydrated ions of cholesterol and its deuterated analog, cholesterol 2,2,3,4,4,6-d6, which was used as an internal standard. For the developed method, limits of detection and quantification were 0.03 and 0.05 mg g−1, respectively. The results of the real samples were compared with those obtained using the conventional approach [limit of detection = 0.002 mg g−1 and limit of quantification = 0.05 mg g−1], and it was found that, although the results obtained using the conventional approach were more accurate, our developed method is much simpler and faster, where the time was dramatically reduced by 87\\% for executing a screening analysis. Copyright © 2014 John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Journal of Mass Spectrometry},\n\tauthor = {Al-Balaa, Dania and Rajchl, Aleš and Grégrová, Adéla and Ševčík, Rudolf and Čížková, Helena},\n\tyear = {2014},\n\tkeywords = {Ambient mass spectrometry, Cholesterol, Direct analysis in real time, GC-FID, egg pasta},\n\tpages = {911--917},\n}\n\n\n\n
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\n To ensure that egg-containing products, such as dried eggs and egg pasta, conform to the technological and legislative requirements for egg content, methods are needed to determine the amount of cholesterol in such products. The conventional approach, direct saponification and hexane extraction followed by cholesterol determination by gas chromatography coupled to a flame ionization detector, is very time consuming. Therefore, we developed a rapid method on the basis of direct analysis in real time coupled to time-of-flight mass spectrometry. Samples were prepared simply by solvent extraction followed by extract filtration. The optimization of certain parameters, including the solvent used and direct analysis in real time ionization gas temperature, had a pronounced effect on the intensities of the produced ions, in particular, the molecular and dehydrated ions of cholesterol and its deuterated analog, cholesterol 2,2,3,4,4,6-d6, which was used as an internal standard. For the developed method, limits of detection and quantification were 0.03 and 0.05 mg g−1, respectively. The results of the real samples were compared with those obtained using the conventional approach [limit of detection = 0.002 mg g−1 and limit of quantification = 0.05 mg g−1], and it was found that, although the results obtained using the conventional approach were more accurate, our developed method is much simpler and faster, where the time was dramatically reduced by 87% for executing a screening analysis. Copyright © 2014 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Solid phase microextraction (SPME)-transmission mode (TM) pushes down detection limits in direct analysis in real time (DART).\n \n \n \n \n\n\n \n Gomez-Rios, G. A.; and Pawliszyn, J.\n\n\n \n\n\n\n Chemical Communications. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"SolidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{gomez-rios_solid_2014,\n\ttitle = {Solid phase microextraction ({SPME})-transmission mode ({TM}) pushes down detection limits in direct analysis in real time ({DART})},\n\tissn = {1359-7345},\n\turl = {http://dx.doi.org/10.1039/C4CC05301J},\n\tdoi = {10.1039/C4CC05301J},\n\tabstract = {A new SPME device was developed and applied for quick solventless extraction/enrichment of small molecules from complex matrices. Subsequently, the device was coupled as a transmission mode substrate to DART resulting in limits of detection in the low pg/mL level in less than 3 minutes with reproducibility below 5\\% RSD.},\n\tjournal = {Chemical Communications},\n\tauthor = {Gomez-Rios, German Augusto and Pawliszyn, Janusz},\n\tyear = {2014},\n}\n\n\n\n
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\n A new SPME device was developed and applied for quick solventless extraction/enrichment of small molecules from complex matrices. Subsequently, the device was coupled as a transmission mode substrate to DART resulting in limits of detection in the low pg/mL level in less than 3 minutes with reproducibility below 5% RSD.\n
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\n \n\n \n \n \n \n \n \n Metabolic fingerprinting based on high-resolution tandem mass spectrometry: a reliable tool for wine authentication?.\n \n \n \n \n\n\n \n Rubert, J.; Lacina, O.; Fauhl-Hassek, C.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry. May 2014.\n \n\n\n\n
\n\n\n\n \n \n \"MetabolicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{rubert_metabolic_2014,\n\ttitle = {Metabolic fingerprinting based on high-resolution tandem mass spectrometry: a reliable tool for wine authentication?},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-014-7864-y},\n\tdoi = {10.1007/s00216-014-7864-y},\n\tabstract = {Ultra-high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (MS) and an alternative technology represented by direct analysis in real time coupled with quadrupole time-of-flight MS were investigated for metabolic fingerprinting of 343 red and white wine samples. Direct injection of pure wine and an extraction procedure optimized for isolation of polyphenols were used to compare different analytical and data handling strategies. After data processing and data pretreatment, principal component analysis was initially used to explore the data structure. Initially, the unsupervised models revealed a notable clustering according to the grape varieties, and therefore supervised orthogonal partial least squares discriminant analysis models were created and validated for separation of red and white wines according to the grape variety. The validated orthogonal partial least squares discriminant analysis models based on data (ions) recorded in positive ionization mode were able to classify correctly 95 \\% of samples. In parallel, authentication parameters, such as origin and vintage, were evaluated, and they are discussed. A tentative identification of markers was performed using accurate mass measurement of MS and MS/MS spectra, different software packages and different online libraries. In this way, different flavonol glucosides and polyphenols were identified as wine markers according to the grape varieties.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Rubert, Josep and Lacina, Ondrej and Fauhl-Hassek, Carsten and Hajslova, Jana},\n\tmonth = may,\n\tyear = {2014},\n\tkeywords = {Chemometrics, Direct analysis in real time–quadrupole time-of-flight mass spectrometry, Metabolic fingerprinting, Polyphenols, Ultra-high-performance liquid chromatography–quadrupole time-of-flight mass spectrometry, Wine},\n}\n\n\n\n
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\n Ultra-high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (MS) and an alternative technology represented by direct analysis in real time coupled with quadrupole time-of-flight MS were investigated for metabolic fingerprinting of 343 red and white wine samples. Direct injection of pure wine and an extraction procedure optimized for isolation of polyphenols were used to compare different analytical and data handling strategies. After data processing and data pretreatment, principal component analysis was initially used to explore the data structure. Initially, the unsupervised models revealed a notable clustering according to the grape varieties, and therefore supervised orthogonal partial least squares discriminant analysis models were created and validated for separation of red and white wines according to the grape variety. The validated orthogonal partial least squares discriminant analysis models based on data (ions) recorded in positive ionization mode were able to classify correctly 95 % of samples. In parallel, authentication parameters, such as origin and vintage, were evaluated, and they are discussed. A tentative identification of markers was performed using accurate mass measurement of MS and MS/MS spectra, different software packages and different online libraries. In this way, different flavonol glucosides and polyphenols were identified as wine markers according to the grape varieties.\n
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\n \n\n \n \n \n \n \n \n DART–TOF–MS based metabolomics study for the discrimination analysis of geographical origin of Angelica gigas roots collected from Korea and China.\n \n \n \n \n\n\n \n Kim, H.; Seo, Y.; Park, S.; Jeong, S.; Kim, M.; and Jang, Y.\n\n\n \n\n\n\n Metabolomics. May 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DART–TOF–MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{kim_darttofms_2014,\n\ttitle = {{DART}–{TOF}–{MS} based metabolomics study for the discrimination analysis of geographical origin of {Angelica} gigas roots collected from {Korea} and {China}},\n\tissn = {1573-3882},\n\turl = {http://dx.doi.org/10.1007/s11306-014-0671-9},\n\tdoi = {10.1007/s11306-014-0671-9},\n\tabstract = {Rapid and efficient identification of the geographical origin of Angelica gigas roots (dang-gui) was performed using DART–TOF–MS (direct analysis in real time–time of flight–mass spectrometry) based metabolomics. As an ambient desorption/ionization technique, DART–TOF–MS can provide soft ionization and rapid analysis of samples with little sample preparation so it has been advantageously applied to high-throughput metabolomics analysis. In order to develop an efficient tool for discriminating, particularly geographical origin of raw herbal medicine, we employed DART–TOF–MS fingerprinting on dang-gui from Korean and Chinese markets. Principal component analysis of DART–TOF–MS fingerprints gave distinctive clustering information among two species of A. gigas and A. sinensis so that we used only A. gigas species for the sequential experiment. Orthogonal projections to latent structures-discriminant analysis of A. gigas samples revealed the separation between samples cultivated in two countries. Major discriminating components were elucidated as decursin/decursinol angelate, unidentified molecular ion of m/z 247 (protonated ions of molecular formula of C14H14O4) and another molecular ion of m/z 432. DART–TOF–MS based chemical fingerprinting with the multivariate analysis of dang-gui was shown to be efficient and accurate way to identify its geographical origin, between Korea and China.},\n\tlanguage = {English},\n\tjournal = {Metabolomics},\n\tauthor = {Kim, HyeJin and Seo, YongTaek and Park, Sang-il and Jeong, SeHee and Kim, MinKyoung and Jang, YoungPyo},\n\tmonth = may,\n\tyear = {2014},\n\tkeywords = {Angelica gigas, DART–TOF–MS, Dang-gui, OPLS-DA, PCA, metabolomics},\n}\n\n\n\n
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\n Rapid and efficient identification of the geographical origin of Angelica gigas roots (dang-gui) was performed using DART–TOF–MS (direct analysis in real time–time of flight–mass spectrometry) based metabolomics. As an ambient desorption/ionization technique, DART–TOF–MS can provide soft ionization and rapid analysis of samples with little sample preparation so it has been advantageously applied to high-throughput metabolomics analysis. In order to develop an efficient tool for discriminating, particularly geographical origin of raw herbal medicine, we employed DART–TOF–MS fingerprinting on dang-gui from Korean and Chinese markets. Principal component analysis of DART–TOF–MS fingerprints gave distinctive clustering information among two species of A. gigas and A. sinensis so that we used only A. gigas species for the sequential experiment. Orthogonal projections to latent structures-discriminant analysis of A. gigas samples revealed the separation between samples cultivated in two countries. Major discriminating components were elucidated as decursin/decursinol angelate, unidentified molecular ion of m/z 247 (protonated ions of molecular formula of C14H14O4) and another molecular ion of m/z 432. DART–TOF–MS based chemical fingerprinting with the multivariate analysis of dang-gui was shown to be efficient and accurate way to identify its geographical origin, between Korea and China.\n
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\n \n\n \n \n \n \n \n \n Authentication of milk and milk-based foods by direct analysis in real time ionization–high resolution mass spectrometry (DART–HRMS) technique: A critical assessment.\n \n \n \n \n\n\n \n Hrbek, V.; Vaclavik, L.; Elich, O.; and Hajslova, J.\n\n\n \n\n\n\n Food Control, 36(1): 138–145. February 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AuthenticationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{hrbek_authentication_2014,\n\ttitle = {Authentication of milk and milk-based foods by direct analysis in real time ionization–high resolution mass spectrometry ({DART}–{HRMS}) technique: {A} critical assessment},\n\tvolume = {36},\n\tissn = {0956-7135},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0956713513003952},\n\tdoi = {10.1016/j.foodcont.2013.08.003},\n\tabstract = {Abstract\nThe potential of direct analysis in real time (DART) ambient ionization technique coupled with high resolution mass spectrometry (HRMS) in authentication of milk and dairy products was critically assessed. In particular case, DART–HRMS was used for several scenarios: (i) discrimination among milks obtained from various farm animal species (cow, goat, and sheep), (ii) discrimination between cows' milk produced in conventional and organic farming, and, (iii) detection of vegetable oil added to a milk-based product (soft cheese). For this purpose, a rapid profiling procedure based on examination of milk/cheese toluene extracts, was implemented. The obtained triacylglycerol (TAG) profiles (mass spectra) were processed with principal component analysis (PCA) and linear discriminant analysis (LDA). Based on LDA model, reliable differentiation of cows' milk samples and goats'/sheep's milk was possible. The DART–HRMS procedure also allowed distinguishing milk mixtures prepared at adulteration level of 50\\% (v/v). The capability to recognize milk from conventional and organic farming was rather low, poor classification rates of the LDA model were obtained. On the other hand, reliable detection of the presence of vegetable oils (rapeseed, sunflower, and soybean), added to soft cheese at amount as low as 1\\% (w/w), was possible. Additionally, the quality of added oil in terms of degree of its oxidation could be documented.},\n\tnumber = {1},\n\tjournal = {Food Control},\n\tauthor = {Hrbek, Vojtech and Vaclavik, Lukas and Elich, Ondrej and Hajslova, Jana},\n\tmonth = feb,\n\tyear = {2014},\n\tkeywords = {Authenticity, Dairy products, Direct analysis in real time, Milk, mass spectrometry},\n\tpages = {138--145},\n}\n\n\n\n
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\n Abstract The potential of direct analysis in real time (DART) ambient ionization technique coupled with high resolution mass spectrometry (HRMS) in authentication of milk and dairy products was critically assessed. In particular case, DART–HRMS was used for several scenarios: (i) discrimination among milks obtained from various farm animal species (cow, goat, and sheep), (ii) discrimination between cows' milk produced in conventional and organic farming, and, (iii) detection of vegetable oil added to a milk-based product (soft cheese). For this purpose, a rapid profiling procedure based on examination of milk/cheese toluene extracts, was implemented. The obtained triacylglycerol (TAG) profiles (mass spectra) were processed with principal component analysis (PCA) and linear discriminant analysis (LDA). Based on LDA model, reliable differentiation of cows' milk samples and goats'/sheep's milk was possible. The DART–HRMS procedure also allowed distinguishing milk mixtures prepared at adulteration level of 50% (v/v). The capability to recognize milk from conventional and organic farming was rather low, poor classification rates of the LDA model were obtained. On the other hand, reliable detection of the presence of vegetable oils (rapeseed, sunflower, and soybean), added to soft cheese at amount as low as 1% (w/w), was possible. Additionally, the quality of added oil in terms of degree of its oxidation could be documented.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time—a critical review on DART-MS.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 406(1): 63–80. January 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{gross_direct_2014,\n\ttitle = {Direct analysis in real time—a critical review on {DART}-{MS}},\n\tvolume = {406},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-7316-0},\n\tdoi = {10.1007/s00216-013-7316-0},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) has become an established technique for rapid mass spectral analysis of a large variety of samples. DART-MS is capable of analyzing the sample at atmospheric pressure, essentially in the open laboratory environment. DART-MS can be applied to compounds that have been deposited or adsorbed on to surfaces or that are being desorbed therefrom into the atmosphere. This makes DART-MS suitable and well-known for analysis of ingredients of plant materials, pesticide monitoring on vegetables, forensic and safety applications such as screening for traces of explosives, warfare agents, or illicit drugs on luggage, clothes, or bank notes, etc. DART can also be used for analysis of either solid or liquid bulk materials, as may be required in quality control, or to quickly investigate the identity of a compound from chemical synthesis. Even living organisms can be subjected to DART-MS. Driven by different needs in analytical practice, the combination of the DART ionization source and interface can be configured in multiple geometries and with various accessories to adapt the setup as required. Analysis by DART-MS relies on some sort of gas-phase ionization mechanism. In DART, initial generation of the ionizing species is by use of a corona discharge in a pure helium atmosphere which delivers excited helium atoms that, upon their release into the atmosphere, will initiate a cascade of gas-phase reactions. In the end, this results in reagent ions created from atmospheric water or (solvent) vapor in the vicinity of the surface subject to analysis where they effect a chemical ionization process. DART ionization processes may generate positive or negative ions, predominantly even-electron species, but odd-electron species do also occur. The prevailing process of analyte ion formation from a given sample is highly dependent on analyte properties.},\n\tlanguage = {English},\n\tnumber = {1},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = jan,\n\tyear = {2014},\n\tkeywords = {Ambient mass spectrometry, DART, Direct analysis in real time, Ionization, Rapid screening},\n\tpages = {63--80},\n}\n\n\n\n
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\n Direct analysis in real time mass spectrometry (DART-MS) has become an established technique for rapid mass spectral analysis of a large variety of samples. DART-MS is capable of analyzing the sample at atmospheric pressure, essentially in the open laboratory environment. DART-MS can be applied to compounds that have been deposited or adsorbed on to surfaces or that are being desorbed therefrom into the atmosphere. This makes DART-MS suitable and well-known for analysis of ingredients of plant materials, pesticide monitoring on vegetables, forensic and safety applications such as screening for traces of explosives, warfare agents, or illicit drugs on luggage, clothes, or bank notes, etc. DART can also be used for analysis of either solid or liquid bulk materials, as may be required in quality control, or to quickly investigate the identity of a compound from chemical synthesis. Even living organisms can be subjected to DART-MS. Driven by different needs in analytical practice, the combination of the DART ionization source and interface can be configured in multiple geometries and with various accessories to adapt the setup as required. Analysis by DART-MS relies on some sort of gas-phase ionization mechanism. In DART, initial generation of the ionizing species is by use of a corona discharge in a pure helium atmosphere which delivers excited helium atoms that, upon their release into the atmosphere, will initiate a cascade of gas-phase reactions. In the end, this results in reagent ions created from atmospheric water or (solvent) vapor in the vicinity of the surface subject to analysis where they effect a chemical ionization process. DART ionization processes may generate positive or negative ions, predominantly even-electron species, but odd-electron species do also occur. The prevailing process of analyte ion formation from a given sample is highly dependent on analyte properties.\n
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\n \n\n \n \n \n \n \n \n Extraction-free In situ Derivatisation of Timosaponin AIII Using Direct Analysis in Real Time TOF/MS.\n \n \n \n \n\n\n \n Kim, H. J.; Park, S. R.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis, 25(4): 373–377. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"Extraction-freePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{kim_extraction-free_2014,\n\ttitle = {Extraction-free {In} situ {Derivatisation} of {Timosaponin} {AIII} {Using} {Direct} {Analysis} in {Real} {Time} {TOF}/{MS}},\n\tvolume = {25},\n\tissn = {1099-1565},\n\turl = {http://dx.doi.org/10.1002/pca.2488},\n\tdoi = {10.1002/pca.2488},\n\tabstract = {Introduction\nDirect analysis in real time (DART) TOF/MS has been used for mass information of various non-polar phytochemicals in raw material with no sample preparation. However, low ionisation efficiency for polar compounds including glycosides limits its extensive use in the field of phytochemical analysis.\n\nObjective\nIn order to develop a direct analysis method for polar glycosides using in situ derivatisation, which improves ionisation efficiency of hydrophilic glycosides.\n\nMethod\nAnemarrhena Rhizoma was used as a model plant targeting on Timosaponin AIII utilising a Dip-It module. Permethylation was applied to the powdered raw material with tetramethylammonium hydroxide in front of a DART ion source. Also, DART TOF/MS combined with permethylation was applied to timosaponin AIII standard solution to obtain the limit of detection (LOD).\n\nResults\nIn situ methylation of timosaponin AIII and Anemarrhena Rhizoma raw material were successfully used to ionise the glycoside. The LOD was found to be in the range of 2.4–4.8 ng for permethylated timosaponin AIII and this level is four times higher than the range of the underivatisation analysis. Direct analysis of permethylated timosaponin from Anemarrhena Rhizoma was also successfully performed.\n\nConclusion\nA simple and quick derivatisation method with tetramethylammonium hydroxide was developed for the direct identification of a hydrophilic saponin from the plant tissue. Better ionisation efficiency conferred by in situ permethylation enabled ionisation of whole molecules of timosaponin AIII from the plant tissue. This simple analytical method will provide a solution to reduce tedious sample preparation steps, not only for non-polar but also hydrophilic natural products directly from the tissue. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {4},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Park, Se Ri and Jang, Young Pyo},\n\tyear = {2014},\n\tkeywords = {Anemarrhena asphodeloides Bunge, DART TOF/MS, in situ derivatisation, permethylation, timosaponin AIII},\n\tpages = {373--377},\n}\n\n\n\n
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\n Introduction Direct analysis in real time (DART) TOF/MS has been used for mass information of various non-polar phytochemicals in raw material with no sample preparation. However, low ionisation efficiency for polar compounds including glycosides limits its extensive use in the field of phytochemical analysis. Objective In order to develop a direct analysis method for polar glycosides using in situ derivatisation, which improves ionisation efficiency of hydrophilic glycosides. Method Anemarrhena Rhizoma was used as a model plant targeting on Timosaponin AIII utilising a Dip-It module. Permethylation was applied to the powdered raw material with tetramethylammonium hydroxide in front of a DART ion source. Also, DART TOF/MS combined with permethylation was applied to timosaponin AIII standard solution to obtain the limit of detection (LOD). Results In situ methylation of timosaponin AIII and Anemarrhena Rhizoma raw material were successfully used to ionise the glycoside. The LOD was found to be in the range of 2.4–4.8 ng for permethylated timosaponin AIII and this level is four times higher than the range of the underivatisation analysis. Direct analysis of permethylated timosaponin from Anemarrhena Rhizoma was also successfully performed. Conclusion A simple and quick derivatisation method with tetramethylammonium hydroxide was developed for the direct identification of a hydrophilic saponin from the plant tissue. Better ionisation efficiency conferred by in situ permethylation enabled ionisation of whole molecules of timosaponin AIII from the plant tissue. This simple analytical method will provide a solution to reduce tedious sample preparation steps, not only for non-polar but also hydrophilic natural products directly from the tissue. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n DART-MS as a Preliminary Screening Method for “Herbal Incense”: Chemical Analysis of Synthetic Cannabinoids.\n \n \n \n \n\n\n \n Lesiak, A. D.; Musah, R. A.; Domin, M. A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Journal of Forensic Sciences, 59(2): 337–343. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DART-MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{lesiak_dart-ms_2014,\n\ttitle = {{DART}-{MS} as a {Preliminary} {Screening} {Method} for “{Herbal} {Incense}”: {Chemical} {Analysis} of {Synthetic} {Cannabinoids}},\n\tvolume = {59},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12354},\n\tdoi = {10.1111/1556-4029.12354},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) served as a method for rapid high-throughput screening of six commercially available “Spice” products, detecting various combinations of five synthetic cannabinoids. Direct analysis in real time is an ambient ionization process that, along with high mass accuracy time-of-flight (TOF)-MS to 0.0001 Da, was employed to establish the presence of cannabinoids. Mass spectra were acquired by simply suspending a small portion of sample between the ion source and the mass spectrometer inlet. The ability to test minute amounts of sample is a major advantage when very limited amounts of evidentiary material are available. In addition, reports are widespread regarding the testing backlogs that now exist because of the large influx of designer drugs. This method circumvents time-consuming sample extraction, derivatization, chromatographic, and other sample preparative steps required for analysis by more conventional mass spectrometric methods. Accordingly, the synthetic cannabinoids AM-2201, JWH-122, JWH-203, JWH-210, and RCS-4 were identified in commercially available herbal Spice products, singly and in tandem, at concentrations within the range of 4–141 mg/g of material. Direct analysis in real time mass spectrometry decreases the time necessary to triage analytical evidence, and therefore, it has the potential to contribute to backlog reduction and more timely criminal prosecution.},\n\tnumber = {2},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Lesiak, Ashton D. and Musah, Rabi A. and Domin, Marek A. and Shepard, Jason R. E.},\n\tyear = {2014},\n\tkeywords = {Direct analysis in real time, cannabinoids, designer drugs, forensic science, mass spectrometry},\n\tpages = {337--343},\n}\n\n\n\n
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\n Direct analysis in real time mass spectrometry (DART-MS) served as a method for rapid high-throughput screening of six commercially available “Spice” products, detecting various combinations of five synthetic cannabinoids. Direct analysis in real time is an ambient ionization process that, along with high mass accuracy time-of-flight (TOF)-MS to 0.0001 Da, was employed to establish the presence of cannabinoids. Mass spectra were acquired by simply suspending a small portion of sample between the ion source and the mass spectrometer inlet. The ability to test minute amounts of sample is a major advantage when very limited amounts of evidentiary material are available. In addition, reports are widespread regarding the testing backlogs that now exist because of the large influx of designer drugs. This method circumvents time-consuming sample extraction, derivatization, chromatographic, and other sample preparative steps required for analysis by more conventional mass spectrometric methods. Accordingly, the synthetic cannabinoids AM-2201, JWH-122, JWH-203, JWH-210, and RCS-4 were identified in commercially available herbal Spice products, singly and in tandem, at concentrations within the range of 4–141 mg/g of material. Direct analysis in real time mass spectrometry decreases the time necessary to triage analytical evidence, and therefore, it has the potential to contribute to backlog reduction and more timely criminal prosecution.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry, a process analytical technology tool for real-time process monitoring in botanical drug manufacturing.\n \n \n \n \n\n\n \n Wang, L.; Zeng, S.; Chen, T.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 91: 202–209. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wang_direct_2014,\n\ttitle = {Direct analysis in real time mass spectrometry, a process analytical technology tool for real-time process monitoring in botanical drug manufacturing},\n\tvolume = {91},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708513006195},\n\tdoi = {10.1016/j.jpba.2013.12.034},\n\tabstract = {Abstract\nA promising process analytical technology (PAT) tool has been introduced for batch processes monitoring. Direct analysis in real time mass spectrometry (DART-MS), a means of rapid fingerprint analysis, was applied to a percolation process with multi-constituent substances for an anti-cancer botanical preparation. Fifteen batches were carried out, including ten normal operations and five abnormal batches with artificial variations. The obtained multivariate data were analyzed by a multi-way partial least squares (MPLS) model. Control trajectories were derived from eight normal batches, and the qualification was tested by R2 and Q2. Accuracy and diagnosis capability of the batch model were then validated by the remaining batches. Assisted with high performance liquid chromatography (HPLC) determination, process faults were explained by corresponding variable contributions. Furthermore, a batch level model was developed to compare and assess the model performance. The present study has demonstrated that DART-MS is very promising in process monitoring in botanical manufacturing. Compared with general PAT tools, DART-MS offers a particular account on effective compositions and can be potentially used to improve batch quality and process consistency of samples in complex matrices},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Wang, Lu and Zeng, Shanshan and Chen, Teng and Qu, Haibin},\n\tyear = {2014},\n\tkeywords = {Batch processes control, Botanical drugs, Direct analysis in real time mass spectrometry, Multivariate batch analysis, Percolation process},\n\tpages = {202--209},\n}\n\n\n\n
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\n Abstract A promising process analytical technology (PAT) tool has been introduced for batch processes monitoring. Direct analysis in real time mass spectrometry (DART-MS), a means of rapid fingerprint analysis, was applied to a percolation process with multi-constituent substances for an anti-cancer botanical preparation. Fifteen batches were carried out, including ten normal operations and five abnormal batches with artificial variations. The obtained multivariate data were analyzed by a multi-way partial least squares (MPLS) model. Control trajectories were derived from eight normal batches, and the qualification was tested by R2 and Q2. Accuracy and diagnosis capability of the batch model were then validated by the remaining batches. Assisted with high performance liquid chromatography (HPLC) determination, process faults were explained by corresponding variable contributions. Furthermore, a batch level model was developed to compare and assess the model performance. The present study has demonstrated that DART-MS is very promising in process monitoring in botanical manufacturing. Compared with general PAT tools, DART-MS offers a particular account on effective compositions and can be potentially used to improve batch quality and process consistency of samples in complex matrices\n
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\n \n\n \n \n \n \n \n \n Quality by Design Study of the Direct Analysis in Real Time Mass Spectrometry Response.\n \n \n \n \n\n\n \n Wang, L.; Chen, T.; Zeng, S.; and Qu, H.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 25(2): 278–285. February 2014.\n \n\n\n\n
\n\n\n\n \n \n \"QualityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wang_quality_2014,\n\ttitle = {Quality by {Design} {Study} of the {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} {Response}},\n\tvolume = {25},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-013-0779-6},\n\tdoi = {10.1007/s13361-013-0779-6},\n\tabstract = {A mass spectrometry method has been developed using the Quality by Design (QbD) principle. Direct analysis in real time mass spectrometry (DART-MS) was adopted to analyze a pharmaceutical preparation. A fishbone diagram for DART-MS and the Plackett-Burman design were utilized to evaluate the impact of a number of factors on the method performance. Multivariate regression and Pareto ranking analysis indicated that the temperature, determined distance, and sampler speed were statistically significant (P {\\textless} 0.05). Furthermore, the Box-Behnken design combined with response surface analysis was then employed to study the relationships between these three factors and the quality of the DART-MS analysis. The analytical design space of DART-MS was thus constructed and its robustness was validated. In this presented approach, method performance was mathematically described as a composite desirability function of the critical quality attributes (CQAs). Two terms of method validation, including analytical repeatability and method robustness, were carried out at an operating work point. Finally, the validated method was successfully applied to the pharmaceutical quality assurance in different manufacturing batches. These results revealed that the QbD concept was practical in DART-MS method development. Meanwhile, the determined quality was controlled by the analytical design space. This presented strategy provided a tutorial to the development of a robust QbD-compliant mass spectrometry method for industrial quality control.},\n\tlanguage = {English},\n\tnumber = {2},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Wang, Lu and Chen, Teng and Zeng, Shanshan and Qu, Haibin},\n\tmonth = feb,\n\tyear = {2014},\n\tkeywords = {Analytical method development, Design space, Direct analysis in real time, Method robustness, Quality by design, mass spectrometry},\n\tpages = {278--285},\n}\n\n\n\n
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\n A mass spectrometry method has been developed using the Quality by Design (QbD) principle. Direct analysis in real time mass spectrometry (DART-MS) was adopted to analyze a pharmaceutical preparation. A fishbone diagram for DART-MS and the Plackett-Burman design were utilized to evaluate the impact of a number of factors on the method performance. Multivariate regression and Pareto ranking analysis indicated that the temperature, determined distance, and sampler speed were statistically significant (P \\textless 0.05). Furthermore, the Box-Behnken design combined with response surface analysis was then employed to study the relationships between these three factors and the quality of the DART-MS analysis. The analytical design space of DART-MS was thus constructed and its robustness was validated. In this presented approach, method performance was mathematically described as a composite desirability function of the critical quality attributes (CQAs). Two terms of method validation, including analytical repeatability and method robustness, were carried out at an operating work point. Finally, the validated method was successfully applied to the pharmaceutical quality assurance in different manufacturing batches. These results revealed that the QbD concept was practical in DART-MS method development. Meanwhile, the determined quality was controlled by the analytical design space. This presented strategy provided a tutorial to the development of a robust QbD-compliant mass spectrometry method for industrial quality control.\n
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\n \n\n \n \n \n \n \n Letter: Characterization of volatile and semi-volatile compounds in green and fermented leaves of Bergenia crassifolia L. by GC-MS and ID-CUBE DART-HRMS.\n \n \n \n\n\n \n Chernetsova, E.; Shikov, A.; Crawford, E.; Grashorn, S.; Laakso, I.; Pozharitskaya, O.; Makarov, V.; Hiltunen, R.; Galambosi, B.; and Morlock, G.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 20(2): 199–205. 2014.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{chernetsova_letter:_2014,\n\ttitle = {Letter: {Characterization} of volatile and semi-volatile compounds in green and fermented leaves of {Bergenia} crassifolia {L}. by {GC}-{MS} and {ID}-{CUBE} {DART}-{HRMS}},\n\tvolume = {20},\n\tissn = {1469-0667},\n\tdoi = {http://dx.doi.org/10.1255/ejms.1252},\n\tabstract = {Chemical compositions of volatile and semi-volatile components in green and fermented leaves of Bergenia crassifolia L. were studied. Leaf components were identified using gas chromatography with low resolution mass spectrometry and direct analysis in real time (DART) high resolution mass spectrometry with an ID-CUBE ion source. Phytol, nerolidol, geraniol, linalool, α-bisabolol, α-bisabololoxide B, α-cadinol, δ-cadinene, α-terpineol, and several other marker compounds of special interest were defined, for which the process of fermentation significantly changed their content in the leaves. Low resolution EI GC-MS and ID-CUBE DART-HRMS were found to be complementary methods, as they provide different information, helpful to increase the confidence of identification.},\n\tnumber = {2},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Chernetsova, E. and Shikov, A. and Crawford, E. and Grashorn, S. and Laakso, I. and Pozharitskaya, O. and Makarov, V. and Hiltunen, R. and Galambosi, B. and Morlock, G.},\n\tyear = {2014},\n\tpages = {199--205},\n}\n\n\n\n
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\n Chemical compositions of volatile and semi-volatile components in green and fermented leaves of Bergenia crassifolia L. were studied. Leaf components were identified using gas chromatography with low resolution mass spectrometry and direct analysis in real time (DART) high resolution mass spectrometry with an ID-CUBE ion source. Phytol, nerolidol, geraniol, linalool, α-bisabolol, α-bisabololoxide B, α-cadinol, δ-cadinene, α-terpineol, and several other marker compounds of special interest were defined, for which the process of fermentation significantly changed their content in the leaves. Low resolution EI GC-MS and ID-CUBE DART-HRMS were found to be complementary methods, as they provide different information, helpful to increase the confidence of identification.\n
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\n \n\n \n \n \n \n \n \n Mass Spectrometry of Spacecraft Contamination Using Direct Analysis in Real-Time Ion Source.\n \n \n \n \n\n\n \n Anderson, M. S.\n\n\n \n\n\n\n Journal of Spacecraft and Rockets, 51(1): 374–378. January 2014.\n \n\n\n\n
\n\n\n\n \n \n \"MassPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{anderson_mass_2014,\n\ttitle = {Mass {Spectrometry} of {Spacecraft} {Contamination} {Using} {Direct} {Analysis} in {Real}-{Time} {Ion} {Source}},\n\tvolume = {51},\n\tissn = {0022-4650},\n\turl = {http://dx.doi.org/10.2514/1.A32613},\n\tdoi = {10.2514/1.A32613},\n\tabstract = {Spacecraft contamination was analyzed using mass spectrometry with the direct analysis in real-time ionization source. This source uses metastable helium for soft ionization and to mediate atmospheric desorption of samples into a mass spectrometer. The sampling methodology allows polymers to be assessed for the presence of vacuum labile components. Vacuum labile residues are significant sources of contamination on spacecraft optics, science instruments, and thermal control surfaces. The methodology also provides sensitive analysis of molecular contamination on spacecraft surfaces using existing spacecraft sampling procedures. This provides identification information for a wide range of molecular components including biomarker compounds.\n\n\nRead More: http://arc.aiaa.org/doi/abs/10.2514/1.A32613},\n\tnumber = {1},\n\turldate = {2014-01-28},\n\tjournal = {Journal of Spacecraft and Rockets},\n\tauthor = {Anderson, Mark S.},\n\tmonth = jan,\n\tyear = {2014},\n\tpages = {374--378},\n}\n\n\n\n
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\n Spacecraft contamination was analyzed using mass spectrometry with the direct analysis in real-time ionization source. This source uses metastable helium for soft ionization and to mediate atmospheric desorption of samples into a mass spectrometer. The sampling methodology allows polymers to be assessed for the presence of vacuum labile components. Vacuum labile residues are significant sources of contamination on spacecraft optics, science instruments, and thermal control surfaces. The methodology also provides sensitive analysis of molecular contamination on spacecraft surfaces using existing spacecraft sampling procedures. This provides identification information for a wide range of molecular components including biomarker compounds. Read More: http://arc.aiaa.org/doi/abs/10.2514/1.A32613\n
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\n \n\n \n \n \n \n \n \n Rapid Quantification of Highly Polar Trimethyl Phosphate in Wastewater via Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, X.; Liu, J.; Liu, C. C.; Zhang, J.; Shao, B.; Liu, L.; and Zhang, N.\n\n\n \n\n\n\n Journal of Chromatography A, 1333: 134–137. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wang_rapid_2014,\n\ttitle = {Rapid {Quantification} of {Highly} {Polar} {Trimethyl} {Phosphate} in {Wastewater} via {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}},\n\tvolume = {1333},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S002196731400171X},\n\tdoi = {10.1016/j.chroma.2014.01.076},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Wang, Xiaowei and Liu, Jingfu and Liu, Charles C. and Zhang, Jing and Shao, Bing and Liu, Liping and Zhang, Nina},\n\tyear = {2014},\n\tkeywords = {Direct analysis real-time tandem mass spectrometry, Environmental water, Organophosphours flame retardant, Trimethyl phosphate},\n\tpages = {134--137},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Ionization characteristics of amino acids in direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Sekimoto, K.; Sakakura, M.; Kawamukai, T.; Hike, H.; Shiota, T.; Usui, F.; Bando, Y.; and Takayama, M.\n\n\n \n\n\n\n Analyst, 139: 2589–2599. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"IonizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{sekimoto_ionization_2014,\n\ttitle = {Ionization characteristics of amino acids in direct analysis in real time mass spectrometry},\n\tvolume = {139},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN02193A},\n\tdoi = {10.1039/C3AN02193A},\n\tabstract = {The positive and negative ionization characteristics of 20 different [small alpha]-amino acids were investigated in Direct Analysis in Real Time (DART) mass spectrometry. Almost all of the amino acids M were ionized to generate the (de)protonated analytes [M +/- H]+/- via proton transfer reactions with the typical background ions H3O+(H2O)n and O2?- and resonant electron capture by M. The application of DART to amino acids also resulted in molecular ion formation, fragmentation, oxidations involving oxygen attachment and hydrogen loss, and formation of adducts [M + R]- with negative background ions R- (O2?-, HCO2-, NO2- and COO-(COOH)), depending on the physicochemical and/or structural properties of the individual amino acid. The relationship between each amino acid and the ionization reactions observed suggested that fragmentation can be attributed to pyrolysis during analyte desorption, as well as excess energy obtained via (de)protonation. Oxidation and [M + R]- adduct formation, in contrast, most likely originate from reactions with active oxygen such as hydroxyl radical HO?, indicating that the typical background neutral species involved in analyte ionization in DART contain HO?.},\n\tjournal = {Analyst},\n\tauthor = {Sekimoto, Kanako and Sakakura, Motoshi and Kawamukai, Takatomo and Hike, Hiroshi and Shiota, Teruhisa and Usui, Fumihiko and Bando, Yasuhiko and Takayama, Mitsuo},\n\tyear = {2014},\n\tpages = {2589--2599},\n}\n\n\n\n
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\n The positive and negative ionization characteristics of 20 different [small alpha]-amino acids were investigated in Direct Analysis in Real Time (DART) mass spectrometry. Almost all of the amino acids M were ionized to generate the (de)protonated analytes [M +/- H]+/- via proton transfer reactions with the typical background ions H3O+(H2O)n and O2?- and resonant electron capture by M. The application of DART to amino acids also resulted in molecular ion formation, fragmentation, oxidations involving oxygen attachment and hydrogen loss, and formation of adducts [M + R]- with negative background ions R- (O2?-, HCO2-, NO2- and COO-(COOH)), depending on the physicochemical and/or structural properties of the individual amino acid. The relationship between each amino acid and the ionization reactions observed suggested that fragmentation can be attributed to pyrolysis during analyte desorption, as well as excess energy obtained via (de)protonation. Oxidation and [M + R]- adduct formation, in contrast, most likely originate from reactions with active oxygen such as hydroxyl radical HO?, indicating that the typical background neutral species involved in analyte ionization in DART contain HO?.\n
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\n \n\n \n \n \n \n \n \n Determination of the aflatoxin AFB1 from corn by direct analysis in real time – mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Busman, M.; Liu, J.; Zhong, H.; Bobell, J. R.; and Maragos, C. M.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 31(5): 932–939. March 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{busman_determination_2014,\n\ttitle = {Determination of the aflatoxin {AFB1} from corn by direct analysis in real time – mass spectrometry ({DART}-{MS})},\n\tvolume = {31},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2014.900572},\n\tdoi = {10.1080/19440049.2014.900572},\n\tabstract = {Abstract Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for screening of aflatoxins from a variety of surfaces and the rapid quantitative analysis of a common form of aflatoxin, AFB1, extracted from corn. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of aflatoxin AFB1. 84:16 acetonitrile water extracts of corn were analyzed by DART-MS. The lowest calibration level (LCL) for aflatoxin AFB1 was 4 ?g/kg. Quantitative analysis was performed with the use of matrix-matched standards employing the 13C-labeled internal standard for AFB1. DART-MS of spiked corn extracts gave linear response of the range 4?1000 ?g/kg. Good recoveries (94?110\\%) and repeatabilities (RSD 0.7?6.9\\%) were obtained at spiking levels of 20 and 100 ?g/kg with use of an isotope dilution technique. Trueness of data obtained for AFB1 in maize by DART-MS was demonstrated by analysis of corn certified reference materials.},\n\tnumber = {5},\n\turldate = {2014-03-11},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Busman, Mark and Liu, Jihong and Zhong, Hongjian and Bobell, John R. and Maragos, Chris M.},\n\tmonth = mar,\n\tyear = {2014},\n\tpages = {932--939},\n}\n\n\n\n
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\n Abstract Direct analysis in real time (DART) ionization coupled to a high resolution mass spectrometer (MS) was used for screening of aflatoxins from a variety of surfaces and the rapid quantitative analysis of a common form of aflatoxin, AFB1, extracted from corn. Sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of aflatoxin AFB1. 84:16 acetonitrile water extracts of corn were analyzed by DART-MS. The lowest calibration level (LCL) for aflatoxin AFB1 was 4 ?g/kg. Quantitative analysis was performed with the use of matrix-matched standards employing the 13C-labeled internal standard for AFB1. DART-MS of spiked corn extracts gave linear response of the range 4?1000 ?g/kg. Good recoveries (94?110%) and repeatabilities (RSD 0.7?6.9%) were obtained at spiking levels of 20 and 100 ?g/kg with use of an isotope dilution technique. Trueness of data obtained for AFB1 in maize by DART-MS was demonstrated by analysis of corn certified reference materials.\n
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\n \n\n \n \n \n \n \n \n High-mass cluster ions of ionic liquids in positive-ion and negative-ion DART-MS and their application for wide-range mass calibrations.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 406(12): 2853–2862. March 2014.\n \n\n\n\n
\n\n\n\n \n \n \"High-massPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{gross_high-mass_2014,\n\ttitle = {High-mass cluster ions of ionic liquids in positive-ion and negative-ion {DART}-{MS} and their application for wide-range mass calibrations},\n\tvolume = {406},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-014-7720-0},\n\tdoi = {10.1007/s00216-014-7720-0},\n\tabstract = {Eight ionic liquids (ILs) are subjected to both positive-ion and negative-ion direct analyses in real time (DART) Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS). First, their ability to deliver evenly distributed cluster ion series covering a wide m/z range is explored. Then, one of the ILs exhibiting particularly useful cluster ion series in either ion polarity is applied for mass calibration. Using 1-butyl-3-methylimidazolium tricyanomethide delivers positive cluster ions suitable for mass calibration in the m/z 100–4,000 range and covers the m/z 100–2,000 range in negative-ion DART-MS. The corresponding mass reference lists are provided for either polarity. Furthermore, based on 1-butyl-3-methylimidazolium tricyanomethide, a high-mass record of m/z {\\textgreater} 5,000 for positive-ion DART-MS is presented. The mass calibration procedure is finally validated by application to established standard compounds such as polydimethylsiloxanes, perfluorononanoic acid, and Ultramark 1621, a mixture of hexakis (fluoroalkoxy) phosphazenes. Further proof is presented by consistent exact mass differences between adjacent cluster ions.},\n\tlanguage = {English},\n\tnumber = {12},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = mar,\n\tyear = {2014},\n\tkeywords = {Accurate mass, Cluster ions, Direct analysis in real time (DART), FT-ICR–MS, High-mass record, Ionic liquids, Mass calibration, mass spectrometry},\n\tpages = {2853--2862},\n}\n\n\n\n
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\n Eight ionic liquids (ILs) are subjected to both positive-ion and negative-ion direct analyses in real time (DART) Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometry (MS). First, their ability to deliver evenly distributed cluster ion series covering a wide m/z range is explored. Then, one of the ILs exhibiting particularly useful cluster ion series in either ion polarity is applied for mass calibration. Using 1-butyl-3-methylimidazolium tricyanomethide delivers positive cluster ions suitable for mass calibration in the m/z 100–4,000 range and covers the m/z 100–2,000 range in negative-ion DART-MS. The corresponding mass reference lists are provided for either polarity. Furthermore, based on 1-butyl-3-methylimidazolium tricyanomethide, a high-mass record of m/z \\textgreater 5,000 for positive-ion DART-MS is presented. The mass calibration procedure is finally validated by application to established standard compounds such as polydimethylsiloxanes, perfluorononanoic acid, and Ultramark 1621, a mixture of hexakis (fluoroalkoxy) phosphazenes. Further proof is presented by consistent exact mass differences between adjacent cluster ions.\n
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\n \n\n \n \n \n \n \n \n Pharmaceutical Identifier Confirmation via DART-TOF.\n \n \n \n \n\n\n \n Easter, J. L.; and Steiner, R. R.\n\n\n \n\n\n\n Forensic science international, 240: 9–20. April 2014.\n \n\n\n\n
\n\n\n\n \n \n \"PharmaceuticalPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{easter_pharmaceutical_2014,\n\ttitle = {Pharmaceutical {Identifier} {Confirmation} via {DART}-{TOF}},\n\tvolume = {240},\n\tissn = {0379-0738},\n\turl = {http://dx.doi.org/10.1016/j.forsciint.2014.03.009},\n\tabstract = {•The DART-TOF is suitable as a SWGDRUG Category A technique for the analysis of pharmaceuticals.•This was successfully demonstrated with of the 100\\% correct identity confirmation of all 387 pharmaceuticals.•Drugs with identical masses were differentiated using box plots, PCA, and LDA from their spectral data.•The data produced by the DART-TOF instrument was shown to be reproducible using box plots and error bar plots. Pharmaceutical analysis comprises a large amount of the casework in forensic controlled substances laboratories. In order to reduce the time of analysis for pharmaceuticals, a Direct Analysis in Real Time ion source coupled with an accurate mass Time-of-Flight (DART-TOF) mass spectrometer was used to confirm identity. DART-TOF spectral data for pharmaceutical samples were analyzed and evaluated by comparison to standard spectra. Identical mass pharmaceuticals were differentiated using collision induced dissociation fragmentation, present/absent ions, and abundance comparison box plots; Principal Component Analysis (PCA) and Linear Discriminant Analysis (LDA) were used for differentiation of identical mass mixed drug spectra. Mass assignment reproducibility and robustness tests were performed on the DART-TOF spectra. Impacts on the forensic science community include a decrease in analysis time over the traditional gas chromatograph/mass spectrometry (GCMS) confirmations, better laboratory efficiency, and simpler sample preparation. Using physical identifiers and the DART-TOF to confirm pharmaceutical identity will eliminate the use of GCMS and effectively reduce analysis time while still complying with accepted analysis protocols. This will prove helpful in laboratories with large backlogs and will simplify the confirmation process.},\n\tjournal = {Forensic science international},\n\tauthor = {Easter, Jacob L. and Steiner, Robert R.},\n\tmonth = apr,\n\tyear = {2014},\n\tkeywords = {DART-TOF, Pharmaceutical, controlled substances, mass spectrometry, principal component analysis (PCA)},\n\tpages = {9--20},\n}\n\n\n\n
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\n •The DART-TOF is suitable as a SWGDRUG Category A technique for the analysis of pharmaceuticals.•This was successfully demonstrated with of the 100% correct identity confirmation of all 387 pharmaceuticals.•Drugs with identical masses were differentiated using box plots, PCA, and LDA from their spectral data.•The data produced by the DART-TOF instrument was shown to be reproducible using box plots and error bar plots. Pharmaceutical analysis comprises a large amount of the casework in forensic controlled substances laboratories. In order to reduce the time of analysis for pharmaceuticals, a Direct Analysis in Real Time ion source coupled with an accurate mass Time-of-Flight (DART-TOF) mass spectrometer was used to confirm identity. DART-TOF spectral data for pharmaceutical samples were analyzed and evaluated by comparison to standard spectra. Identical mass pharmaceuticals were differentiated using collision induced dissociation fragmentation, present/absent ions, and abundance comparison box plots; Principal Component Analysis (PCA) and Linear Discriminant Analysis (LDA) were used for differentiation of identical mass mixed drug spectra. Mass assignment reproducibility and robustness tests were performed on the DART-TOF spectra. Impacts on the forensic science community include a decrease in analysis time over the traditional gas chromatograph/mass spectrometry (GCMS) confirmations, better laboratory efficiency, and simpler sample preparation. Using physical identifiers and the DART-TOF to confirm pharmaceutical identity will eliminate the use of GCMS and effectively reduce analysis time while still complying with accepted analysis protocols. This will prove helpful in laboratories with large backlogs and will simplify the confirmation process.\n
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\n \n\n \n \n \n \n \n \n Solid-phase extraction with the metal–organic framework MIL-101(Cr) combined with direct analysis in real time mass spectrometry for the fast analysis of triazine herbicides.\n \n \n \n \n\n\n \n Li, X.; Xing, J.; Chang, C.; Wang, X.; Bai, Y.; Yan, X.; and Liu, H.\n\n\n \n\n\n\n Journal of Separation Science, 37(12): 1489–1495. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"Solid-phasePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{li_solid-phase_2014,\n\ttitle = {Solid-phase extraction with the metal–organic framework {MIL}-101({Cr}) combined with direct analysis in real time mass spectrometry for the fast analysis of triazine herbicides},\n\tvolume = {37},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.201400151},\n\tdoi = {10.1002/jssc.201400151},\n\tabstract = {MIL-101(Cr) is an excellent metal–organic framework with high surface area and nanoscale cavities, making it promising in solid-phase extraction. Herein, we used MIL-101(Cr) as a solid-phase extraction packing material combined with fast detection of direct analysis in real time mass spectrometry (DART-MS) for the analysis of triazine herbicides. After systematic optimization of the operation parameters, including the gas temperature of DART, the moving speed of the 1D platform, solvent for desorption, amount of MIL-101(Cr) and extraction time, this method can realize the simultaneous detection of five kinds of triazine herbicides. The limits of detection were 0.1∼0.2 ng/mL and the linear ranges covered more than two orders of magnitude with the quantitation limits of 0.5∼1 ng/mL. Moreover, the developed method has been applied for the analysis of lake water samples and the recoveries for spiked analytes were in the range of 85∼110\\%. These results showed that solid-phase extraction with metal–organic frameworks is an efficient sample preparation approach for DART-MS analysis and could find more applications in environmental analysis. This article is protected by copyright. All rights reserved},\n\tnumber = {12},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Li, Xianjiang and Xing, Jiawei and Chang, Cuilan and Wang, Xin and Bai, Yu and Yan, Xiuping and Liu, Huwei},\n\tyear = {2014},\n\tkeywords = {DART-MS, fast analysis, metal-organic frameworks, solid-phase extraction, triazine herbicides},\n\tpages = {1489--1495},\n}\n\n\n\n
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\n MIL-101(Cr) is an excellent metal–organic framework with high surface area and nanoscale cavities, making it promising in solid-phase extraction. Herein, we used MIL-101(Cr) as a solid-phase extraction packing material combined with fast detection of direct analysis in real time mass spectrometry (DART-MS) for the analysis of triazine herbicides. After systematic optimization of the operation parameters, including the gas temperature of DART, the moving speed of the 1D platform, solvent for desorption, amount of MIL-101(Cr) and extraction time, this method can realize the simultaneous detection of five kinds of triazine herbicides. The limits of detection were 0.1∼0.2 ng/mL and the linear ranges covered more than two orders of magnitude with the quantitation limits of 0.5∼1 ng/mL. Moreover, the developed method has been applied for the analysis of lake water samples and the recoveries for spiked analytes were in the range of 85∼110%. These results showed that solid-phase extraction with metal–organic frameworks is an efficient sample preparation approach for DART-MS analysis and could find more applications in environmental analysis. This article is protected by copyright. All rights reserved\n
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\n \n\n \n \n \n \n \n \n Online Coupling of In-tube Solid Phase Microextraction with Direct Analysis in Real Time Mass Spectrometry for Rapid Determination of Triazine Herbicides in Water Using Carbon Nanotubes Incorporated Polymer Monolith.\n \n \n \n \n\n\n \n Wang, X.; Li, X.; Li, Z.; Zhang, Y.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical Chemistry, 86(10): 4739–4747. April 2014.\n \n\n\n\n
\n\n\n\n \n \n \"OnlinePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{wang_online_2014,\n\ttitle = {Online {Coupling} of {In}-tube {Solid} {Phase} {Microextraction} with {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} for {Rapid} {Determination} of {Triazine} {Herbicides} in {Water} {Using} {Carbon} {Nanotubes} {Incorporated} {Polymer} {Monolith}},\n\tvolume = {86},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac500382x},\n\tdoi = {10.1021/ac500382x},\n\tabstract = {Online coupling of in-tube solid phase microextraction (IT-SPME) with direct analysis in real time mass spectrometry (DART-MS) was realized for the first time and applied in the analysis of triazine herbicides in lake water and orange juice. We incorporated single-wall carbon nanotubes (SWNT) into a polymer monolith containing methacrylic acid (MAA) and ethylene dimethacrylate (EDMA) to form a novel poly(methacrylic acid-co-ethylene dimethacrylate-co-single wall carbon nanotubes) (poly(MAA-EDMA-SWNT)) monolith, which was then used in IT-SPME for enrichment of six triazine herbicides from water samples. With the online combination of IT-SPME with DART-MS, the analytes desorbed from the monolith were directly ionized by DART and transferred into MS for detection, thus rapid determination was achieved. Compared with regular DART-MS method, this online IT-SPME-DART-MS method was more sensitive and reproducible because of the IT-SPME procedures and the isotope-labeled internal standard used in the experiment. Six triazine herbicides were determined simultaneously using this method with good linearity (R2{\\textgreater}0.998). The limit of quantification (S/N=10) of the six herbicides were only 0.06-0.46 ng/mL. The proposed method has been applied to determine triazine herbicides in lake water and orange juice, showing satisfactory recovery (85-106\\%) and reproducibility (RSD 3.1-10.9\\%).},\n\tnumber = {10},\n\turldate = {2014-04-24},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Wang, Xin and Li, Xianjiang and Li, Ze and Zhang, Yiding and Bai, Yu and Liu, Huwei},\n\tmonth = apr,\n\tyear = {2014},\n\tkeywords = {food},\n\tpages = {4739--4747},\n}\n\n\n\n
\n
\n\n\n
\n Online coupling of in-tube solid phase microextraction (IT-SPME) with direct analysis in real time mass spectrometry (DART-MS) was realized for the first time and applied in the analysis of triazine herbicides in lake water and orange juice. We incorporated single-wall carbon nanotubes (SWNT) into a polymer monolith containing methacrylic acid (MAA) and ethylene dimethacrylate (EDMA) to form a novel poly(methacrylic acid-co-ethylene dimethacrylate-co-single wall carbon nanotubes) (poly(MAA-EDMA-SWNT)) monolith, which was then used in IT-SPME for enrichment of six triazine herbicides from water samples. With the online combination of IT-SPME with DART-MS, the analytes desorbed from the monolith were directly ionized by DART and transferred into MS for detection, thus rapid determination was achieved. Compared with regular DART-MS method, this online IT-SPME-DART-MS method was more sensitive and reproducible because of the IT-SPME procedures and the isotope-labeled internal standard used in the experiment. Six triazine herbicides were determined simultaneously using this method with good linearity (R2\\textgreater0.998). The limit of quantification (S/N=10) of the six herbicides were only 0.06-0.46 ng/mL. The proposed method has been applied to determine triazine herbicides in lake water and orange juice, showing satisfactory recovery (85-106%) and reproducibility (RSD 3.1-10.9%).\n
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\n \n\n \n \n \n \n \n \n Accurate Mass Fragment Library for Rapid Analysis of Pesticides on Produce Using Ambient Pressure Desorption Ionization with High-Resolution Mass Spectrometry.\n \n \n \n \n\n\n \n Kern, S.; Lin, L.; and Fricke, F.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 25(8): 1482–1488. May 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AccuratePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kern_accurate_2014,\n\ttitle = {Accurate {Mass} {Fragment} {Library} for {Rapid} {Analysis} of {Pesticides} on {Produce} {Using} {Ambient} {Pressure} {Desorption} {Ionization} with {High}-{Resolution} {Mass} {Spectrometry}},\n\tvolume = {25},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-014-0912-1},\n\tdoi = {10.1007/s13361-014-0912-1},\n\tabstract = {U.S. food imports have been increasing steadily for decades, intensifying the need for a rapid and sensitive screening technique. A method has been developed that uses foam disks to sample the surface of incoming produce. This work provides complimentary information to the extensive amount of published pesticide fragmentation data collected using LCMS systems (Sack et al. Journal of Agricultural and Food Chemistry, 59, 6383–6411, 2011; Mol et al. Analytical and Bioanalytical Chemistry, 403, 2891–2908, 2012). The disks are directly analyzed using transmission-mode direct analysis in real time (DART) ambient pressure desorption ionization coupled to a high resolution accurate mass-mass spectrometer (HRAM-MS). In order to provide more certainty in the identification of the pesticides detected, a library of accurate mass fragments and isotopes of the protonated parent molecular ion (the [M+H]+) has been developed. The HRAM-MS is equipped with a quadrupole mass filter, providing the capability of “data-dependent” fragmentation, as opposed to “all -ion” fragmentation (where all of the ions enter a collision chamber and are fragmented at once). A temperature gradient for the DART helium stream and multiple collision energies were employed to detect and fragment 164 pesticides of varying chemical classes, sizes, and polarities. The accurate mass information of precursor ([M+H]+ ion) and fragment ions is essential in correctly identifying chemical contaminants on the surface of imported produce. Additionally, the inclusion of isotopes of the [M+H]+ in the database adds another metric to the confirmation process. The fragmentation data were collected using a Q-Exactive mass spectrometer and were added to a database used to process data collected with an Exactive mass spectrometer, an instrument that is more readily available for this screening application. The commodities investigated range from smooth-skinned produce such as apples to rougher surfaces like broccoli. The minimal sample preparation and absence of chromatography has shortened the analysis time to about 15 min per sample, and the simplicity and robustness of the technique make it ideal for rapid screening.},\n\tlanguage = {English},\n\tnumber = {8},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Kern, SaraE. and Lin, LoraA. and Fricke, FrederickL.},\n\tmonth = may,\n\tyear = {2014},\n\tkeywords = {DART ionization, Exactive Orbitrap, Pesticide analysis, Q-Exactive Orbitrap, Rapid analysis, Surface screening technique},\n\tpages = {1482--1488},\n}\n\n\n\n
\n
\n\n\n
\n U.S. food imports have been increasing steadily for decades, intensifying the need for a rapid and sensitive screening technique. A method has been developed that uses foam disks to sample the surface of incoming produce. This work provides complimentary information to the extensive amount of published pesticide fragmentation data collected using LCMS systems (Sack et al. Journal of Agricultural and Food Chemistry, 59, 6383–6411, 2011; Mol et al. Analytical and Bioanalytical Chemistry, 403, 2891–2908, 2012). The disks are directly analyzed using transmission-mode direct analysis in real time (DART) ambient pressure desorption ionization coupled to a high resolution accurate mass-mass spectrometer (HRAM-MS). In order to provide more certainty in the identification of the pesticides detected, a library of accurate mass fragments and isotopes of the protonated parent molecular ion (the [M+H]+) has been developed. The HRAM-MS is equipped with a quadrupole mass filter, providing the capability of “data-dependent” fragmentation, as opposed to “all -ion” fragmentation (where all of the ions enter a collision chamber and are fragmented at once). A temperature gradient for the DART helium stream and multiple collision energies were employed to detect and fragment 164 pesticides of varying chemical classes, sizes, and polarities. The accurate mass information of precursor ([M+H]+ ion) and fragment ions is essential in correctly identifying chemical contaminants on the surface of imported produce. Additionally, the inclusion of isotopes of the [M+H]+ in the database adds another metric to the confirmation process. The fragmentation data were collected using a Q-Exactive mass spectrometer and were added to a database used to process data collected with an Exactive mass spectrometer, an instrument that is more readily available for this screening application. The commodities investigated range from smooth-skinned produce such as apples to rougher surfaces like broccoli. The minimal sample preparation and absence of chromatography has shortened the analysis time to about 15 min per sample, and the simplicity and robustness of the technique make it ideal for rapid screening.\n
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\n \n\n \n \n \n \n \n \n Hexane Fractions of Bupleurum falcatum L. Stimulates Glucagon-Like Peptide-1 Secretion through -Mediated Pathway.\n \n \n \n \n\n\n \n Shin, M.; Choi, E.; Kim, K.; Kim, K.; Jang, Y. P.; Ahn, K. S.; Chung, W.; Cha, N. H.; and Jang, H.\n\n\n \n\n\n\n Evidence-Based Complementary and Alternative Medicine, 2014. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"HexanePaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{shin_hexane_2014,\n\ttitle = {Hexane {Fractions} of {Bupleurum} falcatum {L}. {Stimulates} {Glucagon}-{Like} {Peptide}-1 {Secretion} through -{Mediated} {Pathway}},\n\tvolume = {2014},\n\turl = {http://dx.doi.org/10.1155/2014/982165},\n\tabstract = {Bupleurum falcatum L. has been used traditionally as a medicinal herb in Korean medicine. The hexane fraction of BF (HFBF), which was profiled with Direct Analysis in Real Time-Mass Spectrometry (DART-MS), activates the secretion of glucagon-like peptide-1 (GLP-1) in NCI-H716 cells significantly. We performed a microarray analysis and GLP-1 ELISA assay, as well as calcium imaging experiments with inhibitors, to investigate the mechanism of action of the HFBF. Through the microarray analysis, it was found that the ITPR2 gene that encodes the inositol 1,4,5-trisphosphate (IP3) receptor is up-regulated and the HFBF induces cell depolarization by inhibiting the voltage-gated channel expression in NCI-H716 cells. In addition, we found that the intracellular calcium in NCI-H716 cells, with Gallein, U73122, and 2APB as inhibitors, was decreased. These results suggest that the HFBF activates the GLP-1 secretion through the pathways in the enteroendocrine L cells after treatment with the HFBF.},\n\tjournal = {Evidence-Based Complementary and Alternative Medicine},\n\tauthor = {Shin, Min-Hee and Choi, Eun-Kyeong and Kim, Ki-Suk and Kim, Kang-Hoon and Jang, Young Pyo and Ahn, Kwang Seok and Chung, Won-Seok and Cha, Nam Hyun and Jang, Hyeung-Jin},\n\tyear = {2014},\n}\n\n\n\n
\n
\n\n\n
\n Bupleurum falcatum L. has been used traditionally as a medicinal herb in Korean medicine. The hexane fraction of BF (HFBF), which was profiled with Direct Analysis in Real Time-Mass Spectrometry (DART-MS), activates the secretion of glucagon-like peptide-1 (GLP-1) in NCI-H716 cells significantly. We performed a microarray analysis and GLP-1 ELISA assay, as well as calcium imaging experiments with inhibitors, to investigate the mechanism of action of the HFBF. Through the microarray analysis, it was found that the ITPR2 gene that encodes the inositol 1,4,5-trisphosphate (IP3) receptor is up-regulated and the HFBF induces cell depolarization by inhibiting the voltage-gated channel expression in NCI-H716 cells. In addition, we found that the intracellular calcium in NCI-H716 cells, with Gallein, U73122, and 2APB as inhibitors, was decreased. These results suggest that the HFBF activates the GLP-1 secretion through the pathways in the enteroendocrine L cells after treatment with the HFBF.\n
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\n \n\n \n \n \n \n \n \n Application of direct analysis in real time to a multiphase chemical system: Identification of polymeric arsanes generated by reduction of monomethylarsenate with sodium tetrahydroborate.\n \n \n \n \n\n\n \n Pagliano, E.; Onor, M.; McCooeye, M.; D’Ulivo, A.; Sturgeon, R. E.; and Mester, Z.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 371(0): 42–46. October 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{pagliano_application_2014,\n\ttitle = {Application of direct analysis in real time to a multiphase chemical system: {Identification} of polymeric arsanes generated by reduction of monomethylarsenate with sodium tetrahydroborate},\n\tvolume = {371},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380614003194},\n\tdoi = {10.1016/j.ijms.2014.07.048},\n\tabstract = {Abstract\nDirect analysis in real time (DART) has been applied in conjunction with high-resolution Orbitrap mass spectrometry to characterize the aqueous reduction of monomethylarsenate by tetrahydroborate (B/As molar ratio ≈ 4 mol/mol). Under these conditions, the reaction gives rise to a complex mixture of arsenic compounds which result in the formation of a reddish precipitate. The use of the DART revealed the presence of a number of polymeric arsanes – up to eight arsenic atoms – associated with the liquid/solid phase of this reaction system. From a reactivity point-of-view, these polymers exhibit an uncommon ionization pathway. In fact, similar to the alkanes, the action of the DART results in the generation of [M − H]+ ions. Furthermore, for each oligomer MeHAs–(AsMe)n–AsHMe (n = 0–8), a series of oxidation products [(M + nO) − H]+ were also identified and their formation has been discussed.},\n\tnumber = {0},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Pagliano, Enea and Onor, Massimo and McCooeye, Margaret and D’Ulivo, Alessandro and Sturgeon, Ralph E. and Mester, Zoltán},\n\tmonth = oct,\n\tyear = {2014},\n\tkeywords = {Direct analysis in real time, High-resolution Orbitrap mass spectrometry, Hydride generation, Polymeric arsanes},\n\tpages = {42--46},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Direct analysis in real time (DART) has been applied in conjunction with high-resolution Orbitrap mass spectrometry to characterize the aqueous reduction of monomethylarsenate by tetrahydroborate (B/As molar ratio ≈ 4 mol/mol). Under these conditions, the reaction gives rise to a complex mixture of arsenic compounds which result in the formation of a reddish precipitate. The use of the DART revealed the presence of a number of polymeric arsanes – up to eight arsenic atoms – associated with the liquid/solid phase of this reaction system. From a reactivity point-of-view, these polymers exhibit an uncommon ionization pathway. In fact, similar to the alkanes, the action of the DART results in the generation of [M − H]+ ions. Furthermore, for each oligomer MeHAs–(AsMe)n–AsHMe (n = 0–8), a series of oxidation products [(M + nO) − H]+ were also identified and their formation has been discussed.\n
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\n \n\n \n \n \n \n \n \n DART Fourier transform ion cyclotron resonance mass spectrometry for analysis of complex organic mixtures.\n \n \n \n \n\n\n \n Lobodin, V. V.; Nyadong, L.; Ruddy, B. M.; Curtis, M.; Jones, P. R.; Rodgers, R. P.; and Marshall, A. G.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, (0). 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{lobodin_dart_2014,\n\ttitle = {{DART} {Fourier} transform ion cyclotron resonance mass spectrometry for analysis of complex organic mixtures},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380614003212},\n\tdoi = {10.1016/j.ijms.2014.07.050},\n\tabstract = {Abstract\nWe report the first combination of a commercial direct analysis in real time (DART) source with FT-ICR MS and its application to analysis of complex organic mixtures. DART enables ionization of compounds with little or no sample preparation, and FT-ICR provides ultrahigh mass resolution and mass accuracy. The combination provides a rapid, robust, and reliable method for analysis of components spanning a wide range of chemical functionality. DART 9.4 T FT-ICR MS generates abundant molecular or quasimolecular ions from C60, heavy petroleum, naphthenate deposits, and biotar, without fragmentation. Moreover, we demonstrate desorption/ionization of compounds with boiling points significantly higher than the DART source temperature. DART FT-ICR MS thus offers a new and useful atmospheric pressure ionization mass spectrometry technique for analysis of complex organic mixtures.},\n\tnumber = {0},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Lobodin, Vladislav V. and Nyadong, Leonard and Ruddy, Brian M. and Curtis, Matthew and Jones, Patrick R. and Rodgers, Ryan P. and Marshall, Alan G.},\n\tyear = {2014},\n\tkeywords = {Ambient ionization, Atmospheric pressure ionization, Bio-tar, Direct analysis in real time, FT-ICR, FTMS, Fullerene, Naphthenate, Petroleomics, Petroleum},\n}\n\n\n\n
\n
\n\n\n
\n Abstract We report the first combination of a commercial direct analysis in real time (DART) source with FT-ICR MS and its application to analysis of complex organic mixtures. DART enables ionization of compounds with little or no sample preparation, and FT-ICR provides ultrahigh mass resolution and mass accuracy. The combination provides a rapid, robust, and reliable method for analysis of components spanning a wide range of chemical functionality. DART 9.4 T FT-ICR MS generates abundant molecular or quasimolecular ions from C60, heavy petroleum, naphthenate deposits, and biotar, without fragmentation. Moreover, we demonstrate desorption/ionization of compounds with boiling points significantly higher than the DART source temperature. DART FT-ICR MS thus offers a new and useful atmospheric pressure ionization mass spectrometry technique for analysis of complex organic mixtures.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time – High resolution mass spectrometry as a valuable tool for the pharmaceutical drug development.\n \n \n \n \n\n\n \n Srbek, J.; Klejdus, B.; Douša, M.; Břicháč, J.; Stasiak, P.; Reitmajer, J.; and Nováková, L.\n\n\n \n\n\n\n Talanta, 130(0): 518–526. December 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{srbek_direct_2014,\n\ttitle = {Direct analysis in real time – {High} resolution mass spectrometry as a valuable tool for the pharmaceutical drug development},\n\tvolume = {130},\n\tissn = {0039-9140},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0039914014005608},\n\tdoi = {10.1016/j.talanta.2014.07.007},\n\tabstract = {Abstract\nIn this study, direct analysis in real time-mass spectrometry (DART-MS) was assessed for the analysis of various pharmaceutical formulations with intention to summarize possible applications for the routine pharmaceutical development. As DART is an ambient ionization technique, it allows direct analysis of pharmaceutical samples in solid or liquid form without complex sample preparation, which is often the most time-consuming part of the analytical method. This makes the technique suitable for many application fields, including pharmaceutical drug development. DART mass spectra of more than twenty selected tablets and other common pharmaceutical formulations, i.e. injection solutions, ointments and suppositories developed in the pharmaceutical industry during several recent years are presented. Moreover, as thin-layer chromatography (TLC) is still very popular for the monitoring of the reactions in the synthetic chemistry, several substances were analyzed directly from the TLC plates to demonstrate the simplicity of the technique. Pure substance solutions were spotted onto a TLC plate and then analyzed with DART without separation. This was the first DART-MS study of pharmaceutical dosage forms using DART–Orbitrap combination. The duration of sample analysis by the DART-MS technique lasted several seconds, allowing enough time to collect sufficient number of data points for compound identification. The experimental setup provided excellent mass accuracy and high resolution of the mass spectra which allowed unambiguous identification of the compounds of interest. Finally, DART mass spectrometry was also used for the monitoring of the selected impurity distribution in the atorvastatin tablets. These measurements demonstrated DART to be robust ionization technique, which provided easy-to-interpret mass spectra for the broad range of compounds. DART has high-throughput potential for various types of pharmaceutical analyses and therefore eliminates the time for sample cleanup and chromatographic separation.},\n\tnumber = {0},\n\tjournal = {Talanta},\n\tauthor = {Srbek, Jan and Klejdus, Bořivoj and Douša, Michal and Břicháč, Jiří and Stasiak, Pawel and Reitmajer, Josef and Nováková, Lucie},\n\tmonth = dec,\n\tyear = {2014},\n\tkeywords = {DART mass spectrometry, Impurities, Pharmaceutical formulation},\n\tpages = {518--526},\n}\n\n\n\n
\n
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\n Abstract In this study, direct analysis in real time-mass spectrometry (DART-MS) was assessed for the analysis of various pharmaceutical formulations with intention to summarize possible applications for the routine pharmaceutical development. As DART is an ambient ionization technique, it allows direct analysis of pharmaceutical samples in solid or liquid form without complex sample preparation, which is often the most time-consuming part of the analytical method. This makes the technique suitable for many application fields, including pharmaceutical drug development. DART mass spectra of more than twenty selected tablets and other common pharmaceutical formulations, i.e. injection solutions, ointments and suppositories developed in the pharmaceutical industry during several recent years are presented. Moreover, as thin-layer chromatography (TLC) is still very popular for the monitoring of the reactions in the synthetic chemistry, several substances were analyzed directly from the TLC plates to demonstrate the simplicity of the technique. Pure substance solutions were spotted onto a TLC plate and then analyzed with DART without separation. This was the first DART-MS study of pharmaceutical dosage forms using DART–Orbitrap combination. The duration of sample analysis by the DART-MS technique lasted several seconds, allowing enough time to collect sufficient number of data points for compound identification. The experimental setup provided excellent mass accuracy and high resolution of the mass spectra which allowed unambiguous identification of the compounds of interest. Finally, DART mass spectrometry was also used for the monitoring of the selected impurity distribution in the atorvastatin tablets. These measurements demonstrated DART to be robust ionization technique, which provided easy-to-interpret mass spectra for the broad range of compounds. DART has high-throughput potential for various types of pharmaceutical analyses and therefore eliminates the time for sample cleanup and chromatographic separation.\n
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\n \n\n \n \n \n \n \n \n Parameters affecting ion intensities in transmission-mode direct analysis in real-time mass spectrometry.\n \n \n \n \n\n\n \n Harding, L. P.; Parkes, G. M. B.; and Townend, J. D.\n\n\n \n\n\n\n Analyst, 139(17): 4176–4180. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"ParametersPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{harding_parameters_2014,\n\ttitle = {Parameters affecting ion intensities in transmission-mode direct analysis in real-time mass spectrometry},\n\tvolume = {139},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C4AN00859F},\n\tdoi = {10.1039/C4AN00859F},\n\tabstract = {A survey of the effect of temperature, transmission module material and analysis time on ion intensities in transmission mode direct analysis in real time mass spectrometry is presented. Ion intensity profiles obtained for two related compounds are similar when analysed separately but are very different when analysed as a mixture.},\n\tnumber = {17},\n\tjournal = {Analyst},\n\tauthor = {Harding, Lindsay P. and Parkes, Gareth M. B. and Townend, James D.},\n\tyear = {2014},\n\tpages = {4176--4180},\n}\n\n\n\n
\n
\n\n\n
\n A survey of the effect of temperature, transmission module material and analysis time on ion intensities in transmission mode direct analysis in real time mass spectrometry is presented. Ion intensity profiles obtained for two related compounds are similar when analysed separately but are very different when analysed as a mixture.\n
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\n \n\n \n \n \n \n \n \n DART-MS In-source Collision Induced Dissociation and High Mass Accuracy for New Psychoactive Substance Determinations.\n \n \n \n \n\n\n \n Musah, R. A.; Cody, R. B.; Domin, M. A.; Lesiak, A. D.; Dane, A. J.; and Shepard, J. R.\n\n\n \n\n\n\n Forensic Science International, (0). 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DART-MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{musah_dart-ms_2014,\n\ttitle = {{DART}-{MS} {In}-source {Collision} {Induced} {Dissociation} and {High} {Mass} {Accuracy} for {New} {Psychoactive} {Substance} {Determinations}},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073814003132},\n\tdoi = {10.1016/j.forsciint.2014.07.028},\n\tabstract = {Abstract\nThe influx of new psychoactive substances is a problem that is challenging the analytical capabilities of enforcement agencies. Cathinone designer drugs are less likely to be included in routine drug screens and typical drug formulations are commonly mixtures with continually shifting components. Ambient ionization mass spectrometry employs relatively mild conditions to desorb and ionize solid samples, imparting much less energy than that associated with conventional mass spectrometry methods. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization method that was employed to rapidly screen cathinones, alone and in mixtures, readily enabling differentiation of the active drug(s) from various cutting agents. Accurate mass determinations provided preliminary identification of the various components of drug mixtures. The data generated in forensic mass spectrometry can be used for both elemental composition formulations and isotope abundance calculations for determination of unknown psychoactive substances, and we demonstrate how this data could be applied to the presence of new drugs as the active components shift in response to regulations. Isotope abundance calculations were used to develop a candidate pool of possible molecular formulas associated with cathinones as a specific class of designer drugs. Together, the combination of a time-of-flight (TOF) mass analyzer along with in-source collision-induced dissociation (CID) spectra were used to drastically narrow the pool of candidates to a single molecular formula. The [M + H]+ and product ion peaks provided data for presumptive analysis of various substituted synthetic cathinones in a manner that is complementary to conventional GC-MS analysis of new psychoactive substances.},\n\tnumber = {0},\n\tjournal = {Forensic Science International},\n\tauthor = {Musah, Rabi A. and Cody, Robert B. and Domin, Marek A. and Lesiak, Ashton D. and Dane, A. John and Shepard, Jason R.E.},\n\tyear = {2014},\n\tkeywords = {Bath salts, DART-MS, Forensic, collision induced dissociation, designer drugs, mass spectrometry},\n}\n\n\n\n
\n
\n\n\n
\n Abstract The influx of new psychoactive substances is a problem that is challenging the analytical capabilities of enforcement agencies. Cathinone designer drugs are less likely to be included in routine drug screens and typical drug formulations are commonly mixtures with continually shifting components. Ambient ionization mass spectrometry employs relatively mild conditions to desorb and ionize solid samples, imparting much less energy than that associated with conventional mass spectrometry methods. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization method that was employed to rapidly screen cathinones, alone and in mixtures, readily enabling differentiation of the active drug(s) from various cutting agents. Accurate mass determinations provided preliminary identification of the various components of drug mixtures. The data generated in forensic mass spectrometry can be used for both elemental composition formulations and isotope abundance calculations for determination of unknown psychoactive substances, and we demonstrate how this data could be applied to the presence of new drugs as the active components shift in response to regulations. Isotope abundance calculations were used to develop a candidate pool of possible molecular formulas associated with cathinones as a specific class of designer drugs. Together, the combination of a time-of-flight (TOF) mass analyzer along with in-source collision-induced dissociation (CID) spectra were used to drastically narrow the pool of candidates to a single molecular formula. The [M + H]+ and product ion peaks provided data for presumptive analysis of various substituted synthetic cathinones in a manner that is complementary to conventional GC-MS analysis of new psychoactive substances.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of traditional Chinese herbal medicine by direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Wang, Y.; Li, C.; Huang, L.; Liu, L.; Guo, Y.; Ma, L.; and Liu, S.\n\n\n \n\n\n\n Analytica Chimica Acta, (0). 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wang_rapid_2014,\n\ttitle = {Rapid identification of traditional {Chinese} herbal medicine by direct analysis in real time ({DART}) mass spectrometry},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267014007272},\n\tdoi = {10.1016/j.aca.2014.06.014},\n\tabstract = {Abstract\nDirect analysis in real time-mass spectrometry (DART-MS) was employed as a novel fast method to identify traditional Chinese herbal medicine (TCHM). In order to obtain high quality mass spectra, the ionization temperature was optimized for every kind of sample. With minimal or no sample pretreatment, major TCHM components, including alkaloids, flavonoids and some ginsenosides, were directly detected within several seconds, while thirteen ginsenosides need derivatization to get good mass spectra. Pseudoginsenoside F11, compound K, protopanaxatriol (PPT) and protopanaxadiol (PPD), for the first time were detected without derivatization. Among five of eight tested Chinese herbal medicines, Rhizoma Corydalis, Bulbus Fritillariae Thunbergii, Arecae Semen, Ramulus Uncariae Cum Uncis and Scutellariae Radix, were first time identified by DART-MS. In addition, the ionization mechanisms of major herbal components, alkaloids, flavonoids and ginsenosides, were discussed in detail. Our results demonstrated that DART-MS could provide a rapid, reliable and environmental friendly method for the rapid identification of TCHM, and may be applicable to other plants.},\n\tnumber = {0},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Wang, Yang and Li, Chunmei and Huang, Liang and Liu, Li and Guo, Yunlong and Ma, Li and Liu, Shuying},\n\tyear = {2014},\n\tkeywords = {Alkaloids, Direct analysis in real time (DART), Flavonoids, Ginsenosides, Time-of-flight mass spectrometry},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Direct analysis in real time-mass spectrometry (DART-MS) was employed as a novel fast method to identify traditional Chinese herbal medicine (TCHM). In order to obtain high quality mass spectra, the ionization temperature was optimized for every kind of sample. With minimal or no sample pretreatment, major TCHM components, including alkaloids, flavonoids and some ginsenosides, were directly detected within several seconds, while thirteen ginsenosides need derivatization to get good mass spectra. Pseudoginsenoside F11, compound K, protopanaxatriol (PPT) and protopanaxadiol (PPD), for the first time were detected without derivatization. Among five of eight tested Chinese herbal medicines, Rhizoma Corydalis, Bulbus Fritillariae Thunbergii, Arecae Semen, Ramulus Uncariae Cum Uncis and Scutellariae Radix, were first time identified by DART-MS. In addition, the ionization mechanisms of major herbal components, alkaloids, flavonoids and ginsenosides, were discussed in detail. Our results demonstrated that DART-MS could provide a rapid, reliable and environmental friendly method for the rapid identification of TCHM, and may be applicable to other plants.\n
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\n \n\n \n \n \n \n \n \n An Effective Approach for Coupling Direct Analysis in Real Time with Atmospheric Pressure Drift Tube Ion Mobility Spectrometry.\n \n \n \n \n\n\n \n Keelor, J.; Dwivedi, P.; and Fernández, F.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 25(9): 1538–1548. September 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{keelor_effective_2014,\n\ttitle = {An {Effective} {Approach} for {Coupling} {Direct} {Analysis} in {Real} {Time} with {Atmospheric} {Pressure} {Drift} {Tube} {Ion} {Mobility} {Spectrometry}},\n\tvolume = {25},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-014-0926-8},\n\tdoi = {10.1007/s13361-014-0926-8},\n\tabstract = {Drift tube ion mobility spectrometry (DTIMS) has evolved as a robust analytical platform routinely used for screening small molecules across a broad suite of chemistries ranging from food and pharmaceuticals to explosives and environmental toxins. Most modern atmospheric pressure IM detectors employ corona discharge, photoionization, radioactive, or electrospray ion sources for efficient ion production. Coupling standalone DTIMS with ambient plasma-based techniques, however, has proven to be an exceptional challenge. Device sensitivity with near-ground ambient plasma sources is hindered by poor ion transmission at the source–instrument interface, where ion repulsion is caused by the strong electric field barrier of the high potential ion mobility spectrometry (IMS) inlet. To overcome this shortfall, we introduce a new ion source design incorporating a repeller point electrode used to shape the electric field profile and enable ion transmission from a direct analysis in real time (DART) plasma ion source. Parameter space characterization studies of the DART DTIMS setup were performed to ascertain the optimal configuration for the source assembly favoring ion transport. Preliminary system capabilities for the direct screening of solid pharmaceuticals are briefly demonstrated.},\n\tlanguage = {English},\n\tnumber = {9},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Keelor, JoelD. and Dwivedi, Prabha and Fernández, FacundoM.},\n\tmonth = sep,\n\tyear = {2014},\n\tkeywords = {Direct analysis in real time (DART), Drift tube ion mobility spectrometry, Point electrode, Resistive glass, Schlieren imaging},\n\tpages = {1538--1548},\n}\n\n\n\n
\n
\n\n\n
\n Drift tube ion mobility spectrometry (DTIMS) has evolved as a robust analytical platform routinely used for screening small molecules across a broad suite of chemistries ranging from food and pharmaceuticals to explosives and environmental toxins. Most modern atmospheric pressure IM detectors employ corona discharge, photoionization, radioactive, or electrospray ion sources for efficient ion production. Coupling standalone DTIMS with ambient plasma-based techniques, however, has proven to be an exceptional challenge. Device sensitivity with near-ground ambient plasma sources is hindered by poor ion transmission at the source–instrument interface, where ion repulsion is caused by the strong electric field barrier of the high potential ion mobility spectrometry (IMS) inlet. To overcome this shortfall, we introduce a new ion source design incorporating a repeller point electrode used to shape the electric field profile and enable ion transmission from a direct analysis in real time (DART) plasma ion source. Parameter space characterization studies of the DART DTIMS setup were performed to ascertain the optimal configuration for the source assembly favoring ion transport. Preliminary system capabilities for the direct screening of solid pharmaceuticals are briefly demonstrated.\n
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\n \n\n \n \n \n \n \n \n Analytical strategies for controlling polysorbate-based nanomicelles in fruit juice.\n \n \n \n \n\n\n \n Krtkova, V.; Schulzova, V.; Lacina, O.; Hrbek, V.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 406(16): 3909–3918. June 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AnalyticalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{krtkova_analytical_2014,\n\ttitle = {Analytical strategies for controlling polysorbate-based nanomicelles in fruit juice},\n\tvolume = {406},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-014-7823-7},\n\tdoi = {10.1007/s00216-014-7823-7},\n\tabstract = {This study focused on the detection and quantification of organic micelle-type nanoparticles (NPs) with polysorbate components (polysorbate 20 and polysorbate 80) in their micelle shells that could be used to load biologically active compounds into fruit juice. Several advanced analytical techniques were applied in the stepwise method development strategy used. In the first phase, a system consisting of ultrahigh-performance liquid chromatography employing a size exclusion column coupled with an evaporative light scattering detector (UHPLC-SEC-ELSD) was used for the fractionation of micelle assemblies from other, lower molecular weight sample components. The limit of detection (LoD) of these polysorbate micelles in spiked apple juice was 500 μg mL−1. After this screening step, mass spectrometric (MS) detection was utilized to confirm the presence of polysorbates in the detected micelles. Two alternative MS techniques were tested: (i) ambient high-resolution mass spectrometry employing a direct analysis in real time ion source coupled with an Orbitrap MS analyzer (DART-Orbitrap MS) enabled fast and simple detection of the polysorbates present in the samples, with a lowest calibration level (LCL) of 1000 μg mL−1; (ii) ultrahigh-performance reversed-phase liquid chromatography coupled with high-resolution time-of-flight mass spectrometry (UHPLC-HRTOF-MS) provided highly selective and sensitive detection and quantification of polysorbates with an LCL of 0.5 μg mL−1.},\n\tlanguage = {English},\n\tnumber = {16},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Krtkova, Veronika and Schulzova, Vera and Lacina, Ondrej and Hrbek, Vojtech and Tomaniova, Monika and Hajslova, Jana},\n\tmonth = jun,\n\tyear = {2014},\n\tkeywords = {Apple juice, DART-Orbitrap MS, Micellar nanoparticles, Polysorbate 20 and 80, UHPLC-HRTOF-MS, UHPLC-SEC-ELSD},\n\tpages = {3909--3918},\n}\n\n\n\n
\n
\n\n\n
\n This study focused on the detection and quantification of organic micelle-type nanoparticles (NPs) with polysorbate components (polysorbate 20 and polysorbate 80) in their micelle shells that could be used to load biologically active compounds into fruit juice. Several advanced analytical techniques were applied in the stepwise method development strategy used. In the first phase, a system consisting of ultrahigh-performance liquid chromatography employing a size exclusion column coupled with an evaporative light scattering detector (UHPLC-SEC-ELSD) was used for the fractionation of micelle assemblies from other, lower molecular weight sample components. The limit of detection (LoD) of these polysorbate micelles in spiked apple juice was 500 μg mL−1. After this screening step, mass spectrometric (MS) detection was utilized to confirm the presence of polysorbates in the detected micelles. Two alternative MS techniques were tested: (i) ambient high-resolution mass spectrometry employing a direct analysis in real time ion source coupled with an Orbitrap MS analyzer (DART-Orbitrap MS) enabled fast and simple detection of the polysorbates present in the samples, with a lowest calibration level (LCL) of 1000 μg mL−1; (ii) ultrahigh-performance reversed-phase liquid chromatography coupled with high-resolution time-of-flight mass spectrometry (UHPLC-HRTOF-MS) provided highly selective and sensitive detection and quantification of polysorbates with an LCL of 0.5 μg mL−1.\n
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\n \n\n \n \n \n \n \n \n Secondary Organic Aerosol Composition from C12 Alkanes.\n \n \n \n \n\n\n \n Schilling Fahnestock, K. A.; Yee, L. D.; Loza, C. L.; Coggon, M. M.; Schwantes, R.; Zhang, X.; Dalleska, N. F.; and Seinfeld, J. H.\n\n\n \n\n\n\n The Journal of Physical Chemistry A. May 2014.\n \n\n\n\n
\n\n\n\n \n \n \"SecondaryPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{schilling_fahnestock_secondary_2014,\n\ttitle = {Secondary {Organic} {Aerosol} {Composition} from {C12} {Alkanes}},\n\tissn = {1089-5639},\n\turl = {http://dx.doi.org/10.1021/jp501779w},\n\tdoi = {10.1021/jp501779w},\n\tabstract = {The effects of structure, NOx conditions, relative humidity, and aerosol acidity on the chemical composition of secondary organic aerosol (SOA) are reported for the photooxidation of three C12 alkanes: n-dodecane, cyclododecane, and hexylcyclohexane. Acidity was modified through seed particle composition: NaCl, (NH4)2SO4, and (NH4)2SO4 + H2SO4. Off-line analysis of SOA was carried out by solvent extraction and gas chromatography?mass spectrometry (GC/MS) and direct analysis in real-time mass spectrometry. We report here 750 individual masses of SOA products identified from these three alkane systems and 324 isomers resolved by GC/MS analysis. The chemical compositions for each alkane system provide compelling evidence of particle-phase chemistry, including reactions leading to oligomer formation. Major oligomeric species for alkane SOA are peroxyhemiacetals, hemiacetals, esters, and aldol condensation products. Furans, dihydrofurans, hydroxycarbonyls, and their corresponding imine analogues are important participants in these oligomer-producing reactions. Imines are formed in the particle phase from the reaction of the ammonium sulfate seed aerosol with carbonyl-bearing compounds present in all the SOA systems. Under high-NO conditions, organonitrate products can lead to an increase of aerosol volume concentration by up to a factor of 5 over that in low-NO conditions. Structure was found to play a key role in determining the degree of functionalization and fragmentation of the parent alkane, influencing the mean molecular weight of the SOA produced and the mean atomic O:C ratio.},\n\turldate = {2014-06-03},\n\tjournal = {The Journal of Physical Chemistry A},\n\tauthor = {Schilling Fahnestock, Katherine A. and Yee, Lindsay D. and Loza, Christine L. and Coggon, Matthew M. and Schwantes, Rebecca and Zhang, Xuan and Dalleska, Nathan F. and Seinfeld, John H.},\n\tmonth = may,\n\tyear = {2014},\n}\n\n\n\n
\n
\n\n\n
\n The effects of structure, NOx conditions, relative humidity, and aerosol acidity on the chemical composition of secondary organic aerosol (SOA) are reported for the photooxidation of three C12 alkanes: n-dodecane, cyclododecane, and hexylcyclohexane. Acidity was modified through seed particle composition: NaCl, (NH4)2SO4, and (NH4)2SO4 + H2SO4. Off-line analysis of SOA was carried out by solvent extraction and gas chromatography?mass spectrometry (GC/MS) and direct analysis in real-time mass spectrometry. We report here 750 individual masses of SOA products identified from these three alkane systems and 324 isomers resolved by GC/MS analysis. The chemical compositions for each alkane system provide compelling evidence of particle-phase chemistry, including reactions leading to oligomer formation. Major oligomeric species for alkane SOA are peroxyhemiacetals, hemiacetals, esters, and aldol condensation products. Furans, dihydrofurans, hydroxycarbonyls, and their corresponding imine analogues are important participants in these oligomer-producing reactions. Imines are formed in the particle phase from the reaction of the ammonium sulfate seed aerosol with carbonyl-bearing compounds present in all the SOA systems. Under high-NO conditions, organonitrate products can lead to an increase of aerosol volume concentration by up to a factor of 5 over that in low-NO conditions. Structure was found to play a key role in determining the degree of functionalization and fragmentation of the parent alkane, influencing the mean molecular weight of the SOA produced and the mean atomic O:C ratio.\n
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\n \n\n \n \n \n \n \n \n A Tiered Analytical Approach for Investigating Poor Quality Emergency Contraceptives.\n \n \n \n \n\n\n \n Monge, undefined; Dwivedi, undefined; Zhou, undefined; Payne, undefined; Harris, undefined; House, undefined; Juggins, undefined; Cizmarik, undefined; Newton, undefined; Fernández, undefined; and Jenkins, undefined\n\n\n \n\n\n\n PLoS ONE, 9(4): e95353. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{monge_tiered_2014,\n\ttitle = {A {Tiered} {Analytical} {Approach} for {Investigating} {Poor} {Quality} {Emergency} {Contraceptives}},\n\tvolume = {9},\n\turl = {http://dx.doi.org/10.1371%2Fjournal.pone.0095353},\n\tdoi = {10.1371/journal.pone.0095353},\n\tabstract = {Reproductive health has been deleteriously affected by poor quality medicines. Emergency contraceptive pills (ECPs) are an important birth control method that women can use after unprotected coitus for reducing the risk of pregnancy. In response to the detection of poor quality ECPs commercially available in the Peruvian market we developed a tiered multi-platform analytical strategy. In a survey to assess ECP medicine quality in Peru, 7 out of 25 different batches showed inadequate release of levonorgestrel by dissolution testing or improper amounts of active ingredient. One batch was found to contain a wrong active ingredient, with no detectable levonorgestrel. By combining ultrahigh performance liquid chromatography-ion mobility spectrometry-mass spectrometry (UHPLC-IMS-MS) and direct analysis in real time MS (DART-MS) the unknown compound was identified as the antibiotic sulfamethoxazole. Quantitation by UHPLC-triple quadrupole tandem MS (QqQ-MS/MS) indicated that the wrong ingredient was present in the ECP sample at levels which could have significant physiological effects. Further chemical characterization of the poor quality ECP samples included the identification of the excipients by 2D Diffusion-Ordered Nuclear Magnetic Resonance Spectroscopy (DOSY $^{\\textrm{1}}$H NMR) indicating the presence of lactose and magnesium stearate.},\n\tnumber = {4},\n\tjournal = {PLoS ONE},\n\tauthor = {Monge,, María Eugenia and Dwivedi,, Prabha and Zhou,, Manshui and Payne,, Michael and Harris,, Chris and House,, Blaine and Juggins,, Yvonne and Cizmarik,, Peter and Newton,, Paul N. and Fernández,, Facundo M. and Jenkins,, David},\n\tyear = {2014},\n\tpages = {e95353},\n}\n\n\n\n
\n
\n\n\n
\n Reproductive health has been deleteriously affected by poor quality medicines. Emergency contraceptive pills (ECPs) are an important birth control method that women can use after unprotected coitus for reducing the risk of pregnancy. In response to the detection of poor quality ECPs commercially available in the Peruvian market we developed a tiered multi-platform analytical strategy. In a survey to assess ECP medicine quality in Peru, 7 out of 25 different batches showed inadequate release of levonorgestrel by dissolution testing or improper amounts of active ingredient. One batch was found to contain a wrong active ingredient, with no detectable levonorgestrel. By combining ultrahigh performance liquid chromatography-ion mobility spectrometry-mass spectrometry (UHPLC-IMS-MS) and direct analysis in real time MS (DART-MS) the unknown compound was identified as the antibiotic sulfamethoxazole. Quantitation by UHPLC-triple quadrupole tandem MS (QqQ-MS/MS) indicated that the wrong ingredient was present in the ECP sample at levels which could have significant physiological effects. Further chemical characterization of the poor quality ECP samples included the identification of the excipients by 2D Diffusion-Ordered Nuclear Magnetic Resonance Spectroscopy (DOSY $^{\\textrm{1}}$H NMR) indicating the presence of lactose and magnesium stearate.\n
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\n \n\n \n \n \n \n \n \n Recent advances in forensic drug analysis by DART-MS.\n \n \n \n \n\n\n \n Lesiak, A. D; and Shepard, J. R.\n\n\n \n\n\n\n Bioanalysis, 6(6): 819–842. March 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RecentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_recent_2014,\n\ttitle = {Recent advances in forensic drug analysis by {DART}-{MS}},\n\tvolume = {6},\n\tissn = {1757-6180},\n\turl = {http://dx.doi.org/10.4155/bio.14.31},\n\tdoi = {10.4155/bio.14.31},\n\tabstract = {Mass spectrometry methods play a major role in many forensic applications. While gas chromatography–mass spectrometry methods are commonly used in crime laboratories and enforcement agencies, a variety of advanced techniques are now available that can improve upon standard methods and address emerging issues in forensic science. New mass spectrometry technologies include more versatile ionization sources, allowing the next generation of instrumentation to be more multipurpose and adaptable to the needs of the discipline. Direct analysis in real-time mass spectrometry is an ambient ionization method that allows direct testing of gas, liquid and solid samples without the need for any preparation or extraction, based on thermal desorption and ionization directly from the sample surface. This Review will provide an in-depth description of direct analysis in real-time time-of-flight mass spectrometry as applied to samples relevant to forensic science, with a focus on analysis and characterization related to forensic drug chemistry.},\n\tnumber = {6},\n\turldate = {2014-04-10},\n\tjournal = {Bioanalysis},\n\tauthor = {Lesiak, Ashton D and Shepard, Jason RE},\n\tmonth = mar,\n\tyear = {2014},\n\tpages = {819--842},\n}\n\n\n\n
\n
\n\n\n
\n Mass spectrometry methods play a major role in many forensic applications. While gas chromatography–mass spectrometry methods are commonly used in crime laboratories and enforcement agencies, a variety of advanced techniques are now available that can improve upon standard methods and address emerging issues in forensic science. New mass spectrometry technologies include more versatile ionization sources, allowing the next generation of instrumentation to be more multipurpose and adaptable to the needs of the discipline. Direct analysis in real-time mass spectrometry is an ambient ionization method that allows direct testing of gas, liquid and solid samples without the need for any preparation or extraction, based on thermal desorption and ionization directly from the sample surface. This Review will provide an in-depth description of direct analysis in real-time time-of-flight mass spectrometry as applied to samples relevant to forensic science, with a focus on analysis and characterization related to forensic drug chemistry.\n
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\n \n\n \n \n \n \n \n \n Ambient Surface Analysis of Organic Monolayers using Direct Analysis in Real Time Orbitrap Mass Spectrometry.\n \n \n \n \n\n\n \n Manova, R. K.; Joshi, S.; Debrassi, A.; Bhairamadgi, N. S.; Roeven, E.; Gagnon, J.; Tahir, M. N.; Claassen, F. W.; Scheres, L. M.; Wennekes, T.; Schroën, K.; van Beek, T. A.; Zuilhof, H.; and Nielen, M. W. F.\n\n\n \n\n\n\n Analytical Chemistry, 86(5): 2403–2411. January 2014.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{manova_ambient_2014,\n\ttitle = {Ambient {Surface} {Analysis} of {Organic} {Monolayers} using {Direct} {Analysis} in {Real} {Time} {Orbitrap} {Mass} {Spectrometry}},\n\tvolume = {86},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac4031626},\n\tdoi = {10.1021/ac4031626},\n\tabstract = {A better characterization of nanometer-thick organic layers (monolayers) as used for engineering surface properties, biosensing, nanomedicine, and smart materials will widen their application. The aim of this study was to develop direct analysis in real time high-resolution mass spectrometry (DART-HRMS) into a new and complementary analytical tool for characterizing organic monolayers. To assess the scope and formulate general interpretation rules, DART-HRMS was used to analyze a diverse set of monolayers having different chemistries (amides, esters, amines, acids, alcohols, alkanes, ethers, thioethers, polymers, sugars) on five different substrates (Si, Si3N4, glass, Al2O3, Au). The substrate did not play a major role except in the case of gold, for which breaking of the weak Au?S bond that tethers the monolayer to the surface, was observed. For monolayers with stronger covalent interfacial bonds, fragmentation around terminal groups was found. For ester and amide-terminated monolayers, in situ hydrolysis during DART resulted in the detection of ions characteristic of the terminal groups (alcohol, amine, carboxylic acid). For ether and thioether-terminated layers, scission of C?O or C?S bonds also led to the release of the terminal part of the monolayer in a predictable manner. Only the spectra of alkane monolayers could not be interpreted. DART-HRMS allowed for the analysis of and distinction between monolayers containing biologically relevant mono or disaccharides. Overall, DART-HRMS is a promising surface analysis technique that combines detailed structural information on nanomaterials and ultrathin films with fast analyses under ambient conditions.},\n\tnumber = {5},\n\turldate = {2014-03-31},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Manova, Radostina K. and Joshi, Sweccha and Debrassi, Aline and Bhairamadgi, Nagendra S. and Roeven, Esther and Gagnon, Jacinthe and Tahir, Muhammad N. and Claassen, Frank W. and Scheres, Luc M.W. and Wennekes, Tom and Schroën, Karin and van Beek, Teris A. and Zuilhof, Han and Nielen, Michel W. F.},\n\tmonth = jan,\n\tyear = {2014},\n\tpages = {2403--2411},\n}\n\n\n\n
\n
\n\n\n
\n A better characterization of nanometer-thick organic layers (monolayers) as used for engineering surface properties, biosensing, nanomedicine, and smart materials will widen their application. The aim of this study was to develop direct analysis in real time high-resolution mass spectrometry (DART-HRMS) into a new and complementary analytical tool for characterizing organic monolayers. To assess the scope and formulate general interpretation rules, DART-HRMS was used to analyze a diverse set of monolayers having different chemistries (amides, esters, amines, acids, alcohols, alkanes, ethers, thioethers, polymers, sugars) on five different substrates (Si, Si3N4, glass, Al2O3, Au). The substrate did not play a major role except in the case of gold, for which breaking of the weak Au?S bond that tethers the monolayer to the surface, was observed. For monolayers with stronger covalent interfacial bonds, fragmentation around terminal groups was found. For ester and amide-terminated monolayers, in situ hydrolysis during DART resulted in the detection of ions characteristic of the terminal groups (alcohol, amine, carboxylic acid). For ether and thioether-terminated layers, scission of C?O or C?S bonds also led to the release of the terminal part of the monolayer in a predictable manner. Only the spectra of alkane monolayers could not be interpreted. DART-HRMS allowed for the analysis of and distinction between monolayers containing biologically relevant mono or disaccharides. Overall, DART-HRMS is a promising surface analysis technique that combines detailed structural information on nanomaterials and ultrathin films with fast analyses under ambient conditions.\n
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\n \n\n \n \n \n \n \n \n Rapid analysis of Δ-9-tetrahydrocannabinol in hair using direct analysis in real time ambient ionization orbitrap mass spectrometry.\n \n \n \n \n\n\n \n Duvivier, W. F.; van Beek, T. A.; Pennings, E. J. M.; and Nielen, M. W. F.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 28(7): 682–690. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{duvivier_rapid_2014,\n\ttitle = {Rapid analysis of Δ-9-tetrahydrocannabinol in hair using direct analysis in real time ambient ionization orbitrap mass spectrometry},\n\tvolume = {28},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6831},\n\tdoi = {10.1002/rcm.6831},\n\tabstract = {RATIONALE\n\nForensic hair analysis methods are laborious, time-consuming and provide only a rough retrospective estimate of the time of drug intake. Recently, hair imaging methods using matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) were reported, but these methods require the application of MALDI matrix and are performed under vacuum. Direct analysis of entire locks of hair without any sample pretreatment and with improved spatial resolution would thus address a need.\n\nMETHODS\n\nHair samples were attached to stainless steel mesh screens and scanned in the X-direction using direct analysis in real time (DART) ambient ionization orbitrap MS. The DART gas temperature and the accuracy of the probed hair zone were optimized using Δ-9-tetrahydrocannabinol (THC) as a model compound. Since external contamination is a major issue in forensic hair analysis, sub-samples were measured before and after dichloromethane decontamination.\n\nRESULTS\n\nThe relative intensity of the THC signal in spiked blank hair versus that of quinine as the internal standard showed good reproducibility (26\\% RSD) and linearity of the method (R2 = 0.991). With the DART hair scan THC could be detected in hair samples from different chronic cannabis users. The presence of THC was confirmed by quantitative liquid chromatography/tandem mass spectrometry. Zones with different THC content could be clearly distinguished, indicating that the method might be used for retrospective timeline assessments. Detection of THC in decontaminated drug user hair showed that the DART hair scan not only probes THC on the surface of hair, but penetrates deeply enough to measure incorporated THC.\n\nCONCLUSIONS\n\nA new approach in forensic hair analysis has been developed by probing complete locks of hair using DART-MS. Longitudinal scanning enables detection of incorporated compounds and can be used as pre-screening for THC without sample preparation. The method could also be adjusted for the analysis of other drugs of abuse. Copyright © 2014 John Wiley \\& Sons, Ltd.},\n\tnumber = {7},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Duvivier, Wilco F. and van Beek, Teris A. and Pennings, Ed J. M. and Nielen, Michel W. F.},\n\tyear = {2014},\n\tpages = {682--690},\n}\n\n\n\n
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\n RATIONALE Forensic hair analysis methods are laborious, time-consuming and provide only a rough retrospective estimate of the time of drug intake. Recently, hair imaging methods using matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) were reported, but these methods require the application of MALDI matrix and are performed under vacuum. Direct analysis of entire locks of hair without any sample pretreatment and with improved spatial resolution would thus address a need. METHODS Hair samples were attached to stainless steel mesh screens and scanned in the X-direction using direct analysis in real time (DART) ambient ionization orbitrap MS. The DART gas temperature and the accuracy of the probed hair zone were optimized using Δ-9-tetrahydrocannabinol (THC) as a model compound. Since external contamination is a major issue in forensic hair analysis, sub-samples were measured before and after dichloromethane decontamination. RESULTS The relative intensity of the THC signal in spiked blank hair versus that of quinine as the internal standard showed good reproducibility (26% RSD) and linearity of the method (R2 = 0.991). With the DART hair scan THC could be detected in hair samples from different chronic cannabis users. The presence of THC was confirmed by quantitative liquid chromatography/tandem mass spectrometry. Zones with different THC content could be clearly distinguished, indicating that the method might be used for retrospective timeline assessments. Detection of THC in decontaminated drug user hair showed that the DART hair scan not only probes THC on the surface of hair, but penetrates deeply enough to measure incorporated THC. CONCLUSIONS A new approach in forensic hair analysis has been developed by probing complete locks of hair using DART-MS. Longitudinal scanning enables detection of incorporated compounds and can be used as pre-screening for THC without sample preparation. The method could also be adjusted for the analysis of other drugs of abuse. Copyright © 2014 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Distinguishing wild from cultivated agarwood (Aquilaria spp.) using direct analysis in real time and time of-flight mass spectrometry.\n \n \n \n \n\n\n \n Espinoza, E. O.; Lancaster, C. A.; Kreitals, N. M.; Hata, M.; Cody, R. B.; and Blanchette, R. A.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 28(3): 281–289. 2014.\n \n\n\n\n
\n\n\n\n \n \n \"DistinguishingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{espinoza_distinguishing_2014,\n\ttitle = {Distinguishing wild from cultivated agarwood ({Aquilaria} spp.) using direct analysis in real time and time of-flight mass spectrometry},\n\tvolume = {28},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6779},\n\tdoi = {10.1002/rcm.6779},\n\tabstract = {RATIONALE\n\nIt is important for the enforcement of the CITES treaty to determine whether agarwood (a resinous wood produced in Aquilaria and Gyrinops species) seen in trade is from a plantation that was cultivated for sustainable production or was harvested from natural forests which is usually done illegally.\n\nMETHODS\n\nWe analyzed wood directly using Direct Analysis in Real Time (DART™) ionization coupled with Time-of-Flight Mass Spectrometry (TOFMS). Agarwood was obtained from five countries, and the collection contained over 150 samples. The spectra contained ions from agarwood-specific 5,6,7,8-tetrahydro-2-(2-phenylethyl)chromones as well as many other ions. The data was analyzed using either kernel discriminant analysis or kernel principal component analysis. Probability estimates of origin (wild vs cultivated) were assigned to unknown agarwood samples.\n\nRESULTS\n\nAnalysis of the DART-TOFMS data shows that many of the chromones found in cultivated and wild agarwood samples are similar; however, there is a significant difference in particular chromones that can be used for differentiation. In certain instances, the analysis of these chromones also allows inferences to be made as to the country of origin. Mass Mountaineer™ software provides an estimate of the accuracy of the discriminate model, and an unknown sample can be classified as cultivated or wild. Eleven of the thirteen validation samples (85\\%) were correctly assigned to either cultivated or wild harvested for their respective geographic provenance. The accuracy of each classification can be estimated by probabilities based on Z scores.\n\nCONCLUSIONS\n\nThe direct analysis of wood for the diagnostic chromones using DART-TOFMS followed by discriminant analysis is sufficiently robust to differentiate wild from cultivated agarwood and provides strong inference for the origin of the agarwood. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Espinoza, Edgard O. and Lancaster, Cady A. and Kreitals, Natasha M. and Hata, Masataka and Cody, Robert B. and Blanchette, Robert A.},\n\tyear = {2014},\n\tpages = {281--289},\n}\n\n\n\n
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\n RATIONALE It is important for the enforcement of the CITES treaty to determine whether agarwood (a resinous wood produced in Aquilaria and Gyrinops species) seen in trade is from a plantation that was cultivated for sustainable production or was harvested from natural forests which is usually done illegally. METHODS We analyzed wood directly using Direct Analysis in Real Time (DART™) ionization coupled with Time-of-Flight Mass Spectrometry (TOFMS). Agarwood was obtained from five countries, and the collection contained over 150 samples. The spectra contained ions from agarwood-specific 5,6,7,8-tetrahydro-2-(2-phenylethyl)chromones as well as many other ions. The data was analyzed using either kernel discriminant analysis or kernel principal component analysis. Probability estimates of origin (wild vs cultivated) were assigned to unknown agarwood samples. RESULTS Analysis of the DART-TOFMS data shows that many of the chromones found in cultivated and wild agarwood samples are similar; however, there is a significant difference in particular chromones that can be used for differentiation. In certain instances, the analysis of these chromones also allows inferences to be made as to the country of origin. Mass Mountaineer™ software provides an estimate of the accuracy of the discriminate model, and an unknown sample can be classified as cultivated or wild. Eleven of the thirteen validation samples (85%) were correctly assigned to either cultivated or wild harvested for their respective geographic provenance. The accuracy of each classification can be estimated by probabilities based on Z scores. CONCLUSIONS The direct analysis of wood for the diagnostic chromones using DART-TOFMS followed by discriminant analysis is sufficiently robust to differentiate wild from cultivated agarwood and provides strong inference for the origin of the agarwood. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Semi-quantitative analysis of contaminants in soils by direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(2): 305–318. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Semi-quantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_semi-quantitative_2013,\n\ttitle = {Semi-quantitative analysis of contaminants in soils by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6450},\n\tdoi = {10.1002/rcm.6450},\n\tabstract = {RATIONALE \n \nCleaning up contaminated sites is a goal of the U.S. Environmental Protection Agency (EPA). A simple, high-throughput, inexpensive, selective, and specific screening method for semi-volatile, polar organic contaminants would provide high spatial resolution for monitoring remediation and for documenting successful clean ups in numerous Superfund, Brownfield, and other contaminated sites. \n \nMETHODS \n \nAn autosampler/Direct Analysis in Real Time (DART)/time-of-flight (TOF) mass spectrometer, with or without a Vapur® evacuated flange, was used to analyze 0.01–33\\% levels of aspirin, diphenylamine, and pentachlorophenol mixed with soil. Triplicate water-soaked swabs were manually rotated in wet analyte:soil mixtures, air dried for 2–3 h, and analyzed directly. To minimize carryover, insensitive and sensitive instrumental conditions were used to analyze high and low analyte levels, respectively. Simulated two-dimensional (2D) mapping and remediation threshold experiments were performed to test the utility of DART-TOFMS for possible sampling strategies. \n \nRESULTS \n \nAnalyte levels differing by factors of 10 were discernible. Data were acquired for 30 swabs in 0.9 min and 3 min with helium stream temperatures of 150 °C and 250 °C and swab transport velocities of 1.45 cm/s and 0.5 cm/s, respectively. With the Vapur flange attached, the average relative standard deviations (RSDs) (n = 3) were between 16\\% and 40\\% for different analytes and analyte levels. Carryover was greatly reduced by removing the Vapur flange, but higher RSDs and occasional plugging of the cone orifice were observed. \n \nCONCLUSIONS \n \nA rapid, simple, rugged, and relatively inexpensive, but selective and sufficiently sensitive, semi-quantitative screening method for semi-volatile, polar, organic compounds in soil was demonstrated. The technique would provide the high spatial resolution necessary to find localized areas of high contamination within contaminated sites that might pose a risk to human and ecological health. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {2},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H.},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {Soils},\n\tpages = {305--318},\n}\n\n\n\n
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\n RATIONALE Cleaning up contaminated sites is a goal of the U.S. Environmental Protection Agency (EPA). A simple, high-throughput, inexpensive, selective, and specific screening method for semi-volatile, polar organic contaminants would provide high spatial resolution for monitoring remediation and for documenting successful clean ups in numerous Superfund, Brownfield, and other contaminated sites. METHODS An autosampler/Direct Analysis in Real Time (DART)/time-of-flight (TOF) mass spectrometer, with or without a Vapur® evacuated flange, was used to analyze 0.01–33% levels of aspirin, diphenylamine, and pentachlorophenol mixed with soil. Triplicate water-soaked swabs were manually rotated in wet analyte:soil mixtures, air dried for 2–3 h, and analyzed directly. To minimize carryover, insensitive and sensitive instrumental conditions were used to analyze high and low analyte levels, respectively. Simulated two-dimensional (2D) mapping and remediation threshold experiments were performed to test the utility of DART-TOFMS for possible sampling strategies. RESULTS Analyte levels differing by factors of 10 were discernible. Data were acquired for 30 swabs in 0.9 min and 3 min with helium stream temperatures of 150 °C and 250 °C and swab transport velocities of 1.45 cm/s and 0.5 cm/s, respectively. With the Vapur flange attached, the average relative standard deviations (RSDs) (n = 3) were between 16% and 40% for different analytes and analyte levels. Carryover was greatly reduced by removing the Vapur flange, but higher RSDs and occasional plugging of the cone orifice were observed. CONCLUSIONS A rapid, simple, rugged, and relatively inexpensive, but selective and sufficiently sensitive, semi-quantitative screening method for semi-volatile, polar, organic compounds in soil was demonstrated. The technique would provide the high spatial resolution necessary to find localized areas of high contamination within contaminated sites that might pose a risk to human and ecological health. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Authentication of milk and milk-based foods by direct analysis in real time ionization–high resolution mass spectrometry (DART–HRMS) technique: a critical assessment.\n \n \n \n \n\n\n \n Hrbek, V.; Vaclavik, L.; Elich, O.; and Hajslova, J.\n\n\n \n\n\n\n Food Control, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AuthenticationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{hrbek_authentication_2013,\n\ttitle = {Authentication of milk and milk-based foods by direct analysis in real time ionization–high resolution mass spectrometry ({DART}–{HRMS}) technique: a critical assessment},\n\tissn = {0956-7135},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0956713513003952},\n\tdoi = {10.1016/j.foodcont.2013.08.003},\n\tabstract = {Abstract\nThe potential of direct analysis in real time (DART) ambient ionization technique coupled with high resolution mass spectrometry (HRMS) in authentication of milk and dairy products was critically assessed. In particular case, DART–HRMS was used for several scenarios: (i) discrimination among milks obtained from various farm animal species (cow, goat, and sheep), (ii) discrimination between cows´ milk produced in conventional and organic farming, and, (iii) detection of vegetable oil added to a milk-based product (soft cheese). For this purpose, a rapid profiling procedure based on examination of milk/cheese toluene extracts, was implemented. The obtained triacylglycerol (TAG) profiles (mass spectra) were processed with principal component analysis (PCA) and linear discriminant analysis (LDA). Based on LDA model, reliable differentiation of cows´ milk samples and goats’/sheep’s milk was possible. The DART–HRMS procedure also allowed distinguishing milk mixtures prepared at adulteration level of 50\\% (v/v). The capability to recognize milk from conventional and organic farming was rather low, poor classification rates of the LDA model were obtained. On the other hand, reliable detection of the presence of vegetable oils (rapeseed, sunflower, and soybean), added to soft cheese at amount as low as 1\\% (w/w), was possible. Additionally, the quality of added oil in terms of degree of its oxidation could be documented.},\n\tnumber = {0},\n\tjournal = {Food Control},\n\tauthor = {Hrbek, Vojtech and Vaclavik, Lukas and Elich, Ondrej and Hajslova, Jana},\n\tyear = {2013},\n\tkeywords = {Authenticity, Dairy products, Direct analysis in real time, Milk, mass spectrometry},\n}\n\n\n\n
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\n Abstract The potential of direct analysis in real time (DART) ambient ionization technique coupled with high resolution mass spectrometry (HRMS) in authentication of milk and dairy products was critically assessed. In particular case, DART–HRMS was used for several scenarios: (i) discrimination among milks obtained from various farm animal species (cow, goat, and sheep), (ii) discrimination between cows´ milk produced in conventional and organic farming, and, (iii) detection of vegetable oil added to a milk-based product (soft cheese). For this purpose, a rapid profiling procedure based on examination of milk/cheese toluene extracts, was implemented. The obtained triacylglycerol (TAG) profiles (mass spectra) were processed with principal component analysis (PCA) and linear discriminant analysis (LDA). Based on LDA model, reliable differentiation of cows´ milk samples and goats’/sheep’s milk was possible. The DART–HRMS procedure also allowed distinguishing milk mixtures prepared at adulteration level of 50% (v/v). The capability to recognize milk from conventional and organic farming was rather low, poor classification rates of the LDA model were obtained. On the other hand, reliable detection of the presence of vegetable oils (rapeseed, sunflower, and soybean), added to soft cheese at amount as low as 1% (w/w), was possible. Additionally, the quality of added oil in terms of degree of its oxidation could be documented.\n
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\n \n\n \n \n \n \n \n \n DART-MS for rapid, preliminary screening of urine for DMAA.\n \n \n \n \n\n\n \n Lesiak, A. D.; Adams, K. J.; Domin, M. A.; Henck, C.; and Shepard, J. R. E.\n\n\n \n\n\n\n Drug Testing and Analysis,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DART-MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{lesiak_dart-ms_2013,\n\ttitle = {{DART}-{MS} for rapid, preliminary screening of urine for {DMAA}},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.1540},\n\tdoi = {10.1002/dta.1540},\n\tabstract = {Dimethylamylamine (DMAA) is a sympathomimetic amine found in weight-loss/workout supplements or used as an appetite suppressant. DMAA is a stimulant that is banned by the World Anti-Doping Agency (WADA). Adverse health effects as well as fatalities have been implicated with its use. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization method that was employed to rapidly identify the presence of DMAA in various samples without any extraction or preparations whatsoever. DMAA was first identified in supplements, sampled directly in their solid forms. Furthermore, DMAA was detected directly in urine over 48 h as a means of indicating recent abuse of the substance. DART-MS analysis is instantaneous, and coupled with the high mass accuracy associated with the time-of-flight mass analyzer, results in unequivocal identification of the presence of DMAA. These features demonstrate DART-MS as an attractive potential alternative screening method for the presence of drugs and medications or for toxicological investigations. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Lesiak, Ashton D. and Adams, Kendra J. and Domin, Marek A. and Henck, Colin and Shepard, Jason R. E.},\n\tyear = {2013},\n\tkeywords = {DART-MS, DMAA, Direct analysis in real time mass spectrometry, collision induced dissociation, natural supplements, urine testing},\n\tpages = {n/a--n/a},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Dimethylamylamine (DMAA) is a sympathomimetic amine found in weight-loss/workout supplements or used as an appetite suppressant. DMAA is a stimulant that is banned by the World Anti-Doping Agency (WADA). Adverse health effects as well as fatalities have been implicated with its use. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization method that was employed to rapidly identify the presence of DMAA in various samples without any extraction or preparations whatsoever. DMAA was first identified in supplements, sampled directly in their solid forms. Furthermore, DMAA was detected directly in urine over 48 h as a means of indicating recent abuse of the substance. DART-MS analysis is instantaneous, and coupled with the high mass accuracy associated with the time-of-flight mass analyzer, results in unequivocal identification of the presence of DMAA. These features demonstrate DART-MS as an attractive potential alternative screening method for the presence of drugs and medications or for toxicological investigations. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Application of direct analysis in real time ionization–mass spectrometry (DART–MS) in chicken meat metabolomics aiming at the retrospective control of feed fraud.\n \n \n \n \n\n\n \n Cajka, T.; Danhelova, H.; Zachariasova, M.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Metabolomics,1–13. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{cajka_application_2013,\n\ttitle = {Application of direct analysis in real time ionization–mass spectrometry ({DART}–{MS}) in chicken meat metabolomics aiming at the retrospective control of feed fraud},\n\tissn = {1573-3882},\n\turl = {http://dx.doi.org/10.1007/s11306-013-0495-z},\n\tdoi = {10.1007/s11306-013-0495-z},\n\tabstract = {Metabolomic fingerprinting enabled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium–high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a tool for differentiation between chickens fed by feed that contained 5–8 \\% (w/w) of chicken bone meal (a banned component) and those representing a reference group, i.e. grown otherwise under the same conditions. In the first step, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from chicken muscle and feed on which experimental animals were grown. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. In the next step, metabolomic fingerprints of a large set of chicken muscle and feed extracts were acquired. In the final phase, the experimental data were statistically evaluated using principal component analysis and orthogonal partial least squares discriminant analysis. In general, differentiation of chicken muscle according to diet (feed with and without the addition of chicken bone meal) was feasible. Additional experiments conducted after 6 months confirmed applicability of this approach. Correct classification was obtained based on the assessment of polar as well as non-polar extracts fingerprints. However, the analysis of non-polar extracts showed that the pattern of triacylglycerols is more prone to seasonal variability and/or type of raw materials used during feed preparation which obscures the bone meal impact to some extent.},\n\tlanguage = {English},\n\tjournal = {Metabolomics},\n\tauthor = {Cajka, Tomas and Danhelova, Hana and Zachariasova, Milena and Riddellova, Katerina and Hajslova, Jana},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {Authenticity, Chicken, Direct analysis in real time (DART), Feed, Metabolomic fingerprinting, mass spectrometry},\n\tpages = {1--13},\n}\n\n\n\n
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\n Metabolomic fingerprinting enabled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium–high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a tool for differentiation between chickens fed by feed that contained 5–8 % (w/w) of chicken bone meal (a banned component) and those representing a reference group, i.e. grown otherwise under the same conditions. In the first step, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from chicken muscle and feed on which experimental animals were grown. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. In the next step, metabolomic fingerprints of a large set of chicken muscle and feed extracts were acquired. In the final phase, the experimental data were statistically evaluated using principal component analysis and orthogonal partial least squares discriminant analysis. In general, differentiation of chicken muscle according to diet (feed with and without the addition of chicken bone meal) was feasible. Additional experiments conducted after 6 months confirmed applicability of this approach. Correct classification was obtained based on the assessment of polar as well as non-polar extracts fingerprints. However, the analysis of non-polar extracts showed that the pattern of triacylglycerols is more prone to seasonal variability and/or type of raw materials used during feed preparation which obscures the bone meal impact to some extent.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time ionization/quadrupole time-of-flight tandem mass spectrometry for rapid identification of iridoids glycosides and caffeoylquinic acids in Re Du Ning Injections.\n \n \n \n \n\n\n \n Li, Y.; Wang, Z.; Bi, Y.; Ding, G.; Sheng, L.; Brian, M.; Zhang, C.; Chen, J.; and Xiao, W.\n\n\n \n\n\n\n Analytical Methods. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{li_direct_2013,\n\ttitle = {Direct analysis in real time ionization/quadrupole time-of-flight tandem mass spectrometry for rapid identification of iridoids glycosides and caffeoylquinic acids in {Re} {Du} {Ning} {Injections}},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY41476K},\n\tdoi = {10.1039/C3AY41476K},\n\tabstract = {Here we report a rapid approach for qualitative analysis of iridoid glycosides and caffeoylquinic acids (CQAs) in Re Du Ning Injections using Direct Analysis in Real Time ionization source (DART) coupled to quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS). In this approach, DART/MS and DART MS/MS analysis in both negative and positive ion modes were performed to characterize two iridoid glycosides and six CQAs in reference solutions and Re Du Ning Injections. Fragmentation pathways of the two kinds of natural compounds were summarized. DART-MS tended to break down some labile bonds in di-CQAs, The di-CQAs yielded abundant fragment ions in the (-) mass scan spectra. Collision-induced dissociation techniques were used to fragment the precursor ions and the product ions. Moreover, differentiation of the isomers of CQAs was possible by using the relative peak abundance and characteristic ion species in MS/MS spectra. DART-MS was also employed to obtain a chemical fingerprint of Re Du Ning Injections for rapid qualitative analysis of this Chinese medicine preparation. DART/Q-TOF MS/MS has shown potential to be used as the real-time detection method for Re Du Ning Injections.},\n\tjournal = {Analytical Methods},\n\tauthor = {Li, Yan-Jing and Wang, Zhen-Zhong and Bi, Yu-An and Ding, Gang and Sheng, Long-Sheng and Brian, Musselman and Zhang, Chen-Feng and Chen, Jun and Xiao, Wei},\n\tyear = {2013},\n}\n\n\n\n
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\n\n\n
\n Here we report a rapid approach for qualitative analysis of iridoid glycosides and caffeoylquinic acids (CQAs) in Re Du Ning Injections using Direct Analysis in Real Time ionization source (DART) coupled to quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS). In this approach, DART/MS and DART MS/MS analysis in both negative and positive ion modes were performed to characterize two iridoid glycosides and six CQAs in reference solutions and Re Du Ning Injections. Fragmentation pathways of the two kinds of natural compounds were summarized. DART-MS tended to break down some labile bonds in di-CQAs, The di-CQAs yielded abundant fragment ions in the (-) mass scan spectra. Collision-induced dissociation techniques were used to fragment the precursor ions and the product ions. Moreover, differentiation of the isomers of CQAs was possible by using the relative peak abundance and characteristic ion species in MS/MS spectra. DART-MS was also employed to obtain a chemical fingerprint of Re Du Ning Injections for rapid qualitative analysis of this Chinese medicine preparation. DART/Q-TOF MS/MS has shown potential to be used as the real-time detection method for Re Du Ning Injections.\n
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\n \n\n \n \n \n \n \n \n Applications of Confined DART (Direct Analysis in Real Time) Ion Source for Online in vivo Analysis of Human Breath.\n \n \n \n \n\n\n \n Li, Y.\n\n\n \n\n\n\n Analytical Methods. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_applications_2013,\n\ttitle = {Applications of {Confined} {DART} ({Direct} {Analysis} in {Real} {Time}) {Ion} {Source} for {Online} in vivo {Analysis} of {Human} {Breath}},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY41406J},\n\tdoi = {10.1039/C3AY41406J},\n\tabstract = {Human breath is composed of many volatile metabolites that can potentially provide information about a person's health status. A sensitive assay to identify these volatile organic compounds as biomarker is ideal and important for early detection of many diseases. However, the diagnosis through online breath analysis based on mass spectrometry is difficult due to the low concentration of pertinent compounds in breath. The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique, which can efficiently ionize gaseous, liquid and solid samples with high throughput. A major problem in analysis of gaseous samples is its poor detection sensitivity due to open-air sampling. Recently, the confined DART ion source (cDART) was developed, where the plasma generated by the atmospheric pressure glow discharge ionizes gas-phase molecules in a Tee-shaped flow tube instead of open air. It leads to significant increase of ionization efficiency of gaseous samples. In this study, the cDART source was modified and applied in online analysis of exhaled breath. The limit of detection of the improved cDART source was determined to be at the level of low ppb. The cDART source was used in the real-time monitoring of an oral anesthetic drug. The concentration variations of two active ingredients in exhaled breath, menthol and benzocaine, and their metabolites with time were obtained. The results show that the cDART ion source is a powerful analytical tool to provide high sensitivity and high throughput analysis for volatile organic compounds in human breath, and can find potential applications in clinical diagnosis and therapy.},\n\tjournal = {Analytical Methods},\n\tauthor = {Li, Yue},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Human breath is composed of many volatile metabolites that can potentially provide information about a person's health status. A sensitive assay to identify these volatile organic compounds as biomarker is ideal and important for early detection of many diseases. However, the diagnosis through online breath analysis based on mass spectrometry is difficult due to the low concentration of pertinent compounds in breath. The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique, which can efficiently ionize gaseous, liquid and solid samples with high throughput. A major problem in analysis of gaseous samples is its poor detection sensitivity due to open-air sampling. Recently, the confined DART ion source (cDART) was developed, where the plasma generated by the atmospheric pressure glow discharge ionizes gas-phase molecules in a Tee-shaped flow tube instead of open air. It leads to significant increase of ionization efficiency of gaseous samples. In this study, the cDART source was modified and applied in online analysis of exhaled breath. The limit of detection of the improved cDART source was determined to be at the level of low ppb. The cDART source was used in the real-time monitoring of an oral anesthetic drug. The concentration variations of two active ingredients in exhaled breath, menthol and benzocaine, and their metabolites with time were obtained. The results show that the cDART ion source is a powerful analytical tool to provide high sensitivity and high throughput analysis for volatile organic compounds in human breath, and can find potential applications in clinical diagnosis and therapy.\n
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\n \n\n \n \n \n \n \n \n Soft Ionization of Saturated Hydrocarbons, Alcohols and Nonpolar Compounds by Negative-Ion Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n \n\n\n \n Cody, R.; and Dane, A.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry,1–6. February 2013.\n \n\n\n\n
\n\n\n\n \n \n \"SoftPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cody_soft_2013,\n\ttitle = {Soft {Ionization} of {Saturated} {Hydrocarbons}, {Alcohols} and {Nonpolar} {Compounds} by {Negative}-{Ion} {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-012-0569-6},\n\tdoi = {10.1007/s13361-012-0569-6},\n\tabstract = {Large polarizable n-alkanes (approximately C18 and larger), alcohols, and other nonpolar compounds can be detected as negative ions when sample solutions are injected directly into the sampling orifice of the atmospheric pressure interface of the time-of-flight mass spectrometer with the direct analysis in real time (DART) ion source operating in negative-ion mode. The mass spectra are dominated by peaks corresponding to [M + O2]‾•. No fragmentation is observed, making this a very soft ionization technique for samples that are otherwise difficult to analyze by DART. Detection limits for cholesterol were determined to be in the low nanogram range.},\n\tlanguage = {English},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Cody, RobertB. and Dane, A.John},\n\tmonth = feb,\n\tyear = {2013},\n\tkeywords = {Alcohols, Alkanes, Ambient, Cholesterol, DART, Direct analysis in real time, Hydrocarbons, Ionization, Negative ions, Triglycerides},\n\tpages = {1--6},\n}\n\n\n\n
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\n Large polarizable n-alkanes (approximately C18 and larger), alcohols, and other nonpolar compounds can be detected as negative ions when sample solutions are injected directly into the sampling orifice of the atmospheric pressure interface of the time-of-flight mass spectrometer with the direct analysis in real time (DART) ion source operating in negative-ion mode. The mass spectra are dominated by peaks corresponding to [M + O2]‾•. No fragmentation is observed, making this a very soft ionization technique for samples that are otherwise difficult to analyze by DART. Detection limits for cholesterol were determined to be in the low nanogram range.\n
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\n \n\n \n \n \n \n \n \n Mass spectrometry-based metabolomic fingerprinting for screening cold tolerance in Arabidopsis thaliana accessions.\n \n \n \n \n\n\n \n Vaclavik, L.; Mishra, A.; Mishra, K.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–13. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MassPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{vaclavik_mass_2013,\n\ttitle = {Mass spectrometry-based metabolomic fingerprinting for screening cold tolerance in {Arabidopsis} thaliana accessions},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-6692-1},\n\tdoi = {10.1007/s00216-012-6692-1},\n\tabstract = {The availability of rapid and reliable tools for monitoring of plants’ cold tolerance is a prerequisite for research aimed at breeding of cold-tolerant crop plants. Therefore, we have tested the capacity of metabolomics-based methods employing ultra-high-performance liquid chromatography (UHPLC)–mass spectrometry and direct analysis in real time–mass spectrometry for high-throughput screening of cold tolerance in eight differentially cold-tolerant accessions of Arabidopsis thaliana. Metabolomic fingerprinting of leaf tissues was performed in methanolic extracts for (1) 6-week-old non-acclimated (NAC) plants grown at room temperature, (2) NAC plants cold-acclimated (ACC) at 4 °C for 2 weeks, and (3) cold-acclimated plants given sub-zero-temperature treatments by slow cooling at −4 °C for 8 h. The generated chromatograms and mass spectra were processed with the use of multivariate statistical analysis employing principal component analysis (PCA) and linear discriminant analysis. The PCA of metabolomic fingerprints classified the investigated A. thaliana accessions into three categories with low, intermediate, and high cold tolerance for both the cold-acclimated and the sub-zero-temperature-treated plants. This indicates the potential application of metabolomics-based fingerprinting for measuring cold tolerance in the cold-acclimated state, i.e., without treating plants at freezing temperatures that is required by currently available methods. Furthermore, we employed UHPLC coupled to the quadrupole-time-of-flight mass spectrometry to identify characteristic metabolites in ACC state and found the abundance of gluconapin and flavon-3-ol glycosides, respectively, in the cold-sensitive and the cold-tolerant accessions.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Vaclavik, Lukas and Mishra, Anamika and Mishra, KumudB. and Hajslova, Jana},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {Arabidopsis thaliana, Chemometric analysis, Cold tolerance, DART–MS, LC–MS, Metabolomic fingerprinting},\n\tpages = {1--13},\n}\n\n\n\n
\n
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\n The availability of rapid and reliable tools for monitoring of plants’ cold tolerance is a prerequisite for research aimed at breeding of cold-tolerant crop plants. Therefore, we have tested the capacity of metabolomics-based methods employing ultra-high-performance liquid chromatography (UHPLC)–mass spectrometry and direct analysis in real time–mass spectrometry for high-throughput screening of cold tolerance in eight differentially cold-tolerant accessions of Arabidopsis thaliana. Metabolomic fingerprinting of leaf tissues was performed in methanolic extracts for (1) 6-week-old non-acclimated (NAC) plants grown at room temperature, (2) NAC plants cold-acclimated (ACC) at 4 °C for 2 weeks, and (3) cold-acclimated plants given sub-zero-temperature treatments by slow cooling at −4 °C for 8 h. The generated chromatograms and mass spectra were processed with the use of multivariate statistical analysis employing principal component analysis (PCA) and linear discriminant analysis. The PCA of metabolomic fingerprints classified the investigated A. thaliana accessions into three categories with low, intermediate, and high cold tolerance for both the cold-acclimated and the sub-zero-temperature-treated plants. This indicates the potential application of metabolomics-based fingerprinting for measuring cold tolerance in the cold-acclimated state, i.e., without treating plants at freezing temperatures that is required by currently available methods. Furthermore, we employed UHPLC coupled to the quadrupole-time-of-flight mass spectrometry to identify characteristic metabolites in ACC state and found the abundance of gluconapin and flavon-3-ol glycosides, respectively, in the cold-sensitive and the cold-tolerant accessions.\n
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\n \n\n \n \n \n \n \n \n Sampler for Collection and Analysis of Low Vapor Pressure Chemical (LVPC) Particulates/Aerosols.\n \n \n \n \n\n\n \n Ewing, K. J.; Gibson, D.; Sanghera, J.; and Miklos, F.\n\n\n \n\n\n\n Analytical Chemistry, 85(20): 9508–9513. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"SamplerPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{ewing_sampler_2013,\n\ttitle = {Sampler for {Collection} and {Analysis} of {Low} {Vapor} {Pressure} {Chemical} ({LVPC}) {Particulates}/{Aerosols}},\n\tvolume = {85},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac401100r},\n\tdoi = {10.1021/ac401100r},\n\tabstract = {Detection of low vapor pressure chemicals (LVPCs) such as pesticides and other toxic/hazardous materials on various environmental surfaces as well as LVPC aerosols is a significant challenge for current vapor phase detectors. We describe a novel sampling device which utilizes stainless steel screens coated with a sticky polydimethylsiloxane coating for collecting LVPCs aerosolized off of a surface. Results are presented for the collection and detection of a pesticide simulant, dimethyl methylphosphonate sorbed onto silica gel (DMMP/SG), using direct analysis in real time-cylindrical ion trap mass spectrometry (DART-CITMS).},\n\tnumber = {20},\n\turldate = {2013-11-25},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Ewing, K. J. and Gibson, D. and Sanghera, J. and Miklos, F.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {9508--9513},\n}\n\n\n\n
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\n Detection of low vapor pressure chemicals (LVPCs) such as pesticides and other toxic/hazardous materials on various environmental surfaces as well as LVPC aerosols is a significant challenge for current vapor phase detectors. We describe a novel sampling device which utilizes stainless steel screens coated with a sticky polydimethylsiloxane coating for collecting LVPCs aerosolized off of a surface. Results are presented for the collection and detection of a pesticide simulant, dimethyl methylphosphonate sorbed onto silica gel (DMMP/SG), using direct analysis in real time-cylindrical ion trap mass spectrometry (DART-CITMS).\n
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\n \n\n \n \n \n \n \n \n Monitoring tea fermentation/manufacturing by Direct Analysis in Real Time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Fraser, K.; Lane, G. A.; Otter, D. E.; Harrison, S. J.; Quek, S.; Hemar, Y.; and Rasmussen, S.\n\n\n \n\n\n\n Food Chemistry, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MonitoringPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{fraser_monitoring_2013,\n\ttitle = {Monitoring tea fermentation/manufacturing by {Direct} {Analysis} in {Real} {Time} ({DART}) mass spectrometry},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814613006390},\n\tdoi = {10.1016/j.foodchem.2013.05.054},\n\tabstract = {Abstract \nFactors such as fermentation methods, geographical origin and season can affect the biochemical composition of tea leaves (Camellia sinensis L.). In this study, the biochemical composition of oolong tea during the manufacturing and fermentation process was studied using a non-targeted method utilising ambient ionisation with a direct analysis in real time (DART) ion source and mass spectrometry (MS). Caffeine dominated the positive ionisation spectra throughout the manufacturing process, while the negative ion spectra collected during manufacturing were rich in ions likely to be surface lipids. Correlation analyses on the spectra revealed two volatile compounds tentatively identified as indole and geranic acid, along with ammonium and caffeine clusters/adducts with geranic acid that increased in concentration during the fermentation stages of the process. The tentative identifications were assigned using a combination of DART-ion-trap MSn and DART-accurate mass MS1 and MS2 on tea samples and standard compounds. This study highlights the potential of DART-MS to rapidly monitor the progress of complex manufacturing processes such as tea fermentation.},\n\tnumber = {0},\n\tjournal = {Food Chemistry},\n\tauthor = {Fraser, Karl and Lane, Geoff A. and Otter, Don E. and Harrison, Scott J. and Quek, Siew-Young and Hemar, Yacine and Rasmussen, Susanne},\n\tyear = {2013},\n\tkeywords = {Caffeine, DARTMass spectrometry, Direct analysis in real time, Fermentation, Geranic acid, Profiling, Tea, Tea manufacturing},\n}\n\n\n\n\n\n\n\n
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\n Abstract Factors such as fermentation methods, geographical origin and season can affect the biochemical composition of tea leaves (Camellia sinensis L.). In this study, the biochemical composition of oolong tea during the manufacturing and fermentation process was studied using a non-targeted method utilising ambient ionisation with a direct analysis in real time (DART) ion source and mass spectrometry (MS). Caffeine dominated the positive ionisation spectra throughout the manufacturing process, while the negative ion spectra collected during manufacturing were rich in ions likely to be surface lipids. Correlation analyses on the spectra revealed two volatile compounds tentatively identified as indole and geranic acid, along with ammonium and caffeine clusters/adducts with geranic acid that increased in concentration during the fermentation stages of the process. The tentative identifications were assigned using a combination of DART-ion-trap MSn and DART-accurate mass MS1 and MS2 on tea samples and standard compounds. This study highlights the potential of DART-MS to rapidly monitor the progress of complex manufacturing processes such as tea fermentation.\n
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\n \n\n \n \n \n \n \n \n Application of mixture analysis to crude materials from natural resources (IV)[1(a-c)]: identification of Glycyrrhiza species by direct Analysis in real time mass spectrometry (II).\n \n \n \n \n\n\n \n Fukuda, E; Uesawa, Y; Baba, M; and Okada, Y\n\n\n \n\n\n\n Natural product communications, 8(12): 1721–1724. December 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fukuda_application_2013,\n\ttitle = {Application of mixture analysis to crude materials from natural resources ({IV})[1(a-c)]: identification of {Glycyrrhiza} species by direct {Analysis} in real time mass spectrometry ({II}).},\n\tvolume = {8},\n\turl = {http://europepmc.org/abstract/MED/24555282},\n\tabstract = {In order to identify Glycyrrhiza species by chemical fingerprinting, the bark of the roots and stolons of Glycyrrhiza uralensis Fischer and G. glabra Linné were analyzed using DART (Direct Analysis in Real Time)-MS. The characteristic peaks of each species were determined statistically by volcano plot. This summarizes the relationship between the p-values of a statistical test and the magnitude of the difference in values of the samples in the groups. In this experiment, peaks that had a p value {\\textless}0.05 in the t test and Z2 absolute difference were defined as characteristic. As a result, characteristic peaks of G. uralensis were found at m/z 299, 315, 341, and 369. In contrast, characteristic peaks of G. glabra were found at m/z 323, 325, 337, 339, and 391. In conclusion, we found several characteristic peaks to distinguish G. uralensis and G. glabra by DART-MS using volcano plot. This method can be applied to identify the Glycyrrhiza species.},\n\tnumber = {12},\n\tjournal = {Natural product communications},\n\tauthor = {Fukuda, E and Uesawa, Y and Baba, M and Okada, Y},\n\tmonth = dec,\n\tyear = {2013},\n\tpages = {1721--1724},\n}\n\n\n\n
\n
\n\n\n
\n In order to identify Glycyrrhiza species by chemical fingerprinting, the bark of the roots and stolons of Glycyrrhiza uralensis Fischer and G. glabra Linné were analyzed using DART (Direct Analysis in Real Time)-MS. The characteristic peaks of each species were determined statistically by volcano plot. This summarizes the relationship between the p-values of a statistical test and the magnitude of the difference in values of the samples in the groups. In this experiment, peaks that had a p value \\textless0.05 in the t test and Z2 absolute difference were defined as characteristic. As a result, characteristic peaks of G. uralensis were found at m/z 299, 315, 341, and 369. In contrast, characteristic peaks of G. glabra were found at m/z 323, 325, 337, 339, and 391. In conclusion, we found several characteristic peaks to distinguish G. uralensis and G. glabra by DART-MS using volcano plot. This method can be applied to identify the Glycyrrhiza species.\n
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\n \n\n \n \n \n \n \n \n Detection of Caffeine in Tea, Instant Coffee, Green Tea Beverage, and Soft Drink by Direct Analysis in Real Time (DART) Source Coupled to Single-Quadrupole Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, L.; Zhao, P.; Zhang, F.; Bai, A.; and Pan, C.\n\n\n \n\n\n\n Journal of AOAC International, 96(2): 353–356. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_detection_2013,\n\ttitle = {Detection of {Caffeine} in {Tea}, {Instant} {Coffee}, {Green} {Tea} {Beverage}, and {Soft} {Drink} by {Direct} {Analysis} in {Real} {Time} ({DART}) {Source} {Coupled} to {Single}-{Quadrupole} {Mass} {Spectrometry}},\n\tvolume = {96},\n\turl = {http://www.ingentaconnect.com/content/aoac/jaoac/2013/00000096/00000002/art00021},\n\tdoi = {10.5740/jaoacint.12-160},\n\tabstract = {Ambient ionization direct analysis in real time (DART) coupled to single-quadrupole MS (DART-MS) was evaluated for rapid detection of caffeine in commercial samples without chromatographic separation or sample preparation. Four commercial samples were examined: tea, instant coffee, green tea beverage, and soft drink. The response-related parameters were optimized for the DART temperature and MS fragmentor. Under optimal conditions, the molecular ion (M+H)+ was the major ion for identification of caffeine. The results showed that DART-MS is a promising tool for the quick analysis of important marker molecules in commercial samples. Furthermore, this system has demonstrated significant potential for high sample throughput and real-time analysis.},\n\tnumber = {2},\n\tjournal = {Journal of AOAC International},\n\tauthor = {Wang, Lei and Zhao, Pengyue and Zhang, Fengzu and Bai, Aijuan and Pan, Canping},\n\tyear = {2013},\n\tpages = {353--356},\n}\n\n\n\n
\n
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\n Ambient ionization direct analysis in real time (DART) coupled to single-quadrupole MS (DART-MS) was evaluated for rapid detection of caffeine in commercial samples without chromatographic separation or sample preparation. Four commercial samples were examined: tea, instant coffee, green tea beverage, and soft drink. The response-related parameters were optimized for the DART temperature and MS fragmentor. Under optimal conditions, the molecular ion (M+H)+ was the major ion for identification of caffeine. The results showed that DART-MS is a promising tool for the quick analysis of important marker molecules in commercial samples. Furthermore, this system has demonstrated significant potential for high sample throughput and real-time analysis.\n
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\n \n\n \n \n \n \n \n \n DIRECT ANALYSIS IN REAL TIME / TIME OF FLIGHT MASS SPECTROMETRY: INVESTIGATIONS ON PARAMETERS FOR THE COUPLING WITH LIQUID PHASE SAMPLE INTRODUCTION TECHNIQUES.\n \n \n \n \n\n\n \n Hintersteiner, I.; Hertsens, R.; and Klampfl, C. W.\n\n\n \n\n\n\n Journal of Liquid Chromatography & Related Technologies,null–null. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DIRECTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{hintersteiner_direct_2013,\n\ttitle = {{DIRECT} {ANALYSIS} {IN} {REAL} {TIME} / {TIME} {OF} {FLIGHT} {MASS} {SPECTROMETRY}: {INVESTIGATIONS} {ON} {PARAMETERS} {FOR} {THE} {COUPLING} {WITH} {LIQUID} {PHASE} {SAMPLE} {INTRODUCTION} {TECHNIQUES}},\n\tissn = {1082-6076},\n\turl = {http://dx.doi.org/10.1080/10826076.2013.825846},\n\tdoi = {10.1080/10826076.2013.825846},\n\tabstract = {Studies for the evaluation of a lab made liquid jet interface designed for the coupling of Direct Analysis in Real Time (DART) time-of-flight mass spectrometry (TOF-MS) with liquid phase sample introduction systems such as flow injection analysis (FIA) or high performance liquid chromatography (HPLC) have been performed. Thereby a substantial influence of parameters like surface/volume ratio (determined by the inner diameter of the capillary employed) of the liquid jet as well as the composition of the eluent (with respect to the concentration of electrolyte and organic solvent) on signal intensities could be detected. Comparison of the developed interface with other more common interface types (based on electrospray ionization, atmospheric pressure chemical ionization and atmospheric pressure photoionization) was carried out on the example of a test mixture containing four parabens spiked into biological fluid samples. DART ionization proved superior when employed in combination with FIA as it was less affected by matrix effects resulting in ionization suppression. On the other hand if at least partial separation of the matrix/analytes was performed by using short chromatographic columns, the other ionization techniques turned out to be the better choice primarily due to their increased sensitivity.},\n\turldate = {2013-09-19},\n\tjournal = {Journal of Liquid Chromatography \\& Related Technologies},\n\tauthor = {Hintersteiner, Ingrid and Hertsens, Robert and Klampfl, Christian W.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
\n
\n\n\n
\n Studies for the evaluation of a lab made liquid jet interface designed for the coupling of Direct Analysis in Real Time (DART) time-of-flight mass spectrometry (TOF-MS) with liquid phase sample introduction systems such as flow injection analysis (FIA) or high performance liquid chromatography (HPLC) have been performed. Thereby a substantial influence of parameters like surface/volume ratio (determined by the inner diameter of the capillary employed) of the liquid jet as well as the composition of the eluent (with respect to the concentration of electrolyte and organic solvent) on signal intensities could be detected. Comparison of the developed interface with other more common interface types (based on electrospray ionization, atmospheric pressure chemical ionization and atmospheric pressure photoionization) was carried out on the example of a test mixture containing four parabens spiked into biological fluid samples. DART ionization proved superior when employed in combination with FIA as it was less affected by matrix effects resulting in ionization suppression. On the other hand if at least partial separation of the matrix/analytes was performed by using short chromatographic columns, the other ionization techniques turned out to be the better choice primarily due to their increased sensitivity.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time—a critical review on DART-MS.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–18. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{gross_direct_2013,\n\ttitle = {Direct analysis in real time—a critical review on {DART}-{MS}},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-7316-0},\n\tdoi = {10.1007/s00216-013-7316-0},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) has become an established technique for rapid mass spectral analysis of a large variety of samples. DART-MS is capable of analyzing the sample at atmospheric pressure, essentially in the open laboratory environment. DART-MS can be applied to compounds that have been deposited or adsorbed on to surfaces or that are being desorbed therefrom into the atmosphere. This makes DART-MS suitable and well-known for analysis of ingredients of plant materials, pesticide monitoring on vegetables, forensic and safety applications such as screening for traces of explosives, warfare agents, or illicit drugs on luggage, clothes, or bank notes, etc. DART can also be used for analysis of either solid or liquid bulk materials, as may be required in quality control, or to quickly investigate the identity of a compound from chemical synthesis. Even living organisms can be subjected to DART-MS. Driven by different needs in analytical practice, the combination of the DART ionization source and interface can be configured in multiple geometries and with various accessories to adapt the setup as required. Analysis by DART-MS relies on some sort of gas-phase ionization mechanism. In DART, initial generation of the ionizing species is by use of a corona discharge in a pure helium atmosphere which delivers excited helium atoms that, upon their release into the atmosphere, will initiate a cascade of gas-phase reactions. In the end, this results in reagent ions created from atmospheric water or (solvent) vapor in the vicinity of the surface subject to analysis where they effect a chemical ionization process. DART ionization processes may generate positive or negative ions, predominantly even-electron species, but odd-electron species do also occur. The prevailing process of analyte ion formation from a given sample is highly dependent on analyte properties.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Ambient mass spectrometry, DART, Direct analysis in real time, Ionization, Rapid screening},\n\tpages = {1--18},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) has become an established technique for rapid mass spectral analysis of a large variety of samples. DART-MS is capable of analyzing the sample at atmospheric pressure, essentially in the open laboratory environment. DART-MS can be applied to compounds that have been deposited or adsorbed on to surfaces or that are being desorbed therefrom into the atmosphere. This makes DART-MS suitable and well-known for analysis of ingredients of plant materials, pesticide monitoring on vegetables, forensic and safety applications such as screening for traces of explosives, warfare agents, or illicit drugs on luggage, clothes, or bank notes, etc. DART can also be used for analysis of either solid or liquid bulk materials, as may be required in quality control, or to quickly investigate the identity of a compound from chemical synthesis. Even living organisms can be subjected to DART-MS. Driven by different needs in analytical practice, the combination of the DART ionization source and interface can be configured in multiple geometries and with various accessories to adapt the setup as required. Analysis by DART-MS relies on some sort of gas-phase ionization mechanism. In DART, initial generation of the ionizing species is by use of a corona discharge in a pure helium atmosphere which delivers excited helium atoms that, upon their release into the atmosphere, will initiate a cascade of gas-phase reactions. In the end, this results in reagent ions created from atmospheric water or (solvent) vapor in the vicinity of the surface subject to analysis where they effect a chemical ionization process. DART ionization processes may generate positive or negative ions, predominantly even-electron species, but odd-electron species do also occur. The prevailing process of analyte ion formation from a given sample is highly dependent on analyte properties.\n
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\n \n\n \n \n \n \n \n \n Identification of saccharides by using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Wang, Y.; Liu, L.; Ma, L.; and Liu, S.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wang_identification_2013,\n\ttitle = {Identification of saccharides by using direct analysis in real time ({DART}) mass spectrometry},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380613003461},\n\tdoi = {10.1016/j.ijms.2013.09.008},\n\tabstract = {Abstract\nDirect analysis in real time (DART) coupled with quadrupole time-of-flight mass spectrometry (Q-TOF-MS) was applied to investigate the different types of saccharides including ginseng oligosaccharide extract with minimal sample pretreatment. Helium gas temperature into the DART ion source was adjusted to find optimal ionization temperature for glucose in increments of 50oC from 50oC to 450oC. It was observed that gas temperature had a significant effect on signal intensity in DART Mass Spectra. The temperature for the glucose ionization should be at least 150oC, and the signal intensity reached optimal ionization state at 250oC. With the increase of a sugar chain, a higher gas temperature was needed for saccharide ionization. Interestingly, sugar cluster formation can be observed at 450oC for disaccharides and trisaccharides. It is found that the [M +NH4]+ ions of trisaccharide and ginseng oligosaccharides can be rarely produced without any derivatization even at 450oC. All the samples except five carbon monosaccharides can generate the m/z 198 ion, so it is difficult to determine whether a m/z 198 ion is the [M + NH4]+ ion of glucose or merely a sample fragment ion most likely an ammoniated monosaccharide fragment.},\n\tnumber = {0},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Wang, Yang and Liu, Li and Ma, Li and Liu, Shuying},\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Sacchrides, gingseng extract},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Direct analysis in real time (DART) coupled with quadrupole time-of-flight mass spectrometry (Q-TOF-MS) was applied to investigate the different types of saccharides including ginseng oligosaccharide extract with minimal sample pretreatment. Helium gas temperature into the DART ion source was adjusted to find optimal ionization temperature for glucose in increments of 50oC from 50oC to 450oC. It was observed that gas temperature had a significant effect on signal intensity in DART Mass Spectra. The temperature for the glucose ionization should be at least 150oC, and the signal intensity reached optimal ionization state at 250oC. With the increase of a sugar chain, a higher gas temperature was needed for saccharide ionization. Interestingly, sugar cluster formation can be observed at 450oC for disaccharides and trisaccharides. It is found that the [M +NH4]+ ions of trisaccharide and ginseng oligosaccharides can be rarely produced without any derivatization even at 450oC. All the samples except five carbon monosaccharides can generate the m/z 198 ion, so it is difficult to determine whether a m/z 198 ion is the [M + NH4]+ ion of glucose or merely a sample fragment ion most likely an ammoniated monosaccharide fragment.\n
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\n \n\n \n \n \n \n \n \n Real time in situ chemical characterization of sub-micron organic aerosols using Direct Analysis in Real Time mass spectrometry (DART-MS): the effect of aerosol size and volatility.\n \n \n \n \n\n\n \n Chan, M. N.; Nah, T.; and Wilson, K. R.\n\n\n \n\n\n\n Analyst. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RealPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chan_real_2013,\n\ttitle = {Real time in situ chemical characterization of sub-micron organic aerosols using {Direct} {Analysis} in {Real} {Time} mass spectrometry ({DART}-{MS}): the effect of aerosol size and volatility},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00168G},\n\tdoi = {10.1039/C3AN00168G},\n\tabstract = {Direct Analysis in Real Time (DART) mass spectrometry is an atmospheric pressure ionization technique suitable for in situ chemical analysis of organic aerosols. Here, mass spectra are obtained by introducing a stream of nanometer-sized aerosols into the ionization region, which is an open space between the ion source and the atmospheric inlet of mass spectrometer. Model single component aerosols are used to show how the aerosol size and volatility influence the measured ion signals at different DART gas temperatures. The results show that for equivalent aerosol mass concentrations, the ion signal scales with particle surface area, with smaller diameter oleic acid aerosols yielding higher ion signals relative to larger diameter aerosols. For the aerosols of the same size, but different vapor pressures, the ion signal is larger for more volatile succinic acid aerosols than less volatile adipic and suberic acid particles. From the measured changes in aerosol size, produced by the DART source, the radial probing depth for these model aerosols range from 1 to 10 nm, the magnitude of which depends upon the physiochemical properties of the aerosols and DART gas temperature. An aerosol evaporation model reveals that the ion signal is correlated with changes in aerosol size and depends upon the total quantity of evaporated aerosol mass, consistent with a mechanism in which gas-phase molecules are first desorbed from the aerosol surface prior to ionization. The results of this work serve as a basis for future investigations of the mass spectra, ionization pathways, and probing depth of the aerosols using DART.},\n\tjournal = {Analyst},\n\tauthor = {Chan, Man Nin and Nah, Theodora and Wilson, Kevin R.},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART) mass spectrometry is an atmospheric pressure ionization technique suitable for in situ chemical analysis of organic aerosols. Here, mass spectra are obtained by introducing a stream of nanometer-sized aerosols into the ionization region, which is an open space between the ion source and the atmospheric inlet of mass spectrometer. Model single component aerosols are used to show how the aerosol size and volatility influence the measured ion signals at different DART gas temperatures. The results show that for equivalent aerosol mass concentrations, the ion signal scales with particle surface area, with smaller diameter oleic acid aerosols yielding higher ion signals relative to larger diameter aerosols. For the aerosols of the same size, but different vapor pressures, the ion signal is larger for more volatile succinic acid aerosols than less volatile adipic and suberic acid particles. From the measured changes in aerosol size, produced by the DART source, the radial probing depth for these model aerosols range from 1 to 10 nm, the magnitude of which depends upon the physiochemical properties of the aerosols and DART gas temperature. An aerosol evaporation model reveals that the ion signal is correlated with changes in aerosol size and depends upon the total quantity of evaporated aerosol mass, consistent with a mechanism in which gas-phase molecules are first desorbed from the aerosol surface prior to ionization. The results of this work serve as a basis for future investigations of the mass spectra, ionization pathways, and probing depth of the aerosols using DART.\n
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\n \n\n \n \n \n \n \n \n Fragmentation Behavior Studies of Chalcones Employing Direct Analysis in Real Time (DART).\n \n \n \n \n\n\n \n Rahman, M.; Attwa, M.; Ahmad, P.; Baseeruddin, M.; and Kadi, A.\n\n\n \n\n\n\n Mass Spectrometry Letters, 4: 30–33. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"FragmentationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{rahman_fragmentation_2013,\n\ttitle = {Fragmentation {Behavior} {Studies} of {Chalcones} {Employing} {Direct} {Analysis} in {Real} {Time} ({DART})},\n\tvolume = {4},\n\turl = {http://www.msletters.org},\n\tabstract = {Chalcones are naturally occurring, biologically active molecules generating interest from a wide range of research\napplications including synthetic methodology development, biological activity investigation and studying fragmentation patterns. In\nthis article, a series of chalcones has been synthesized and their fragmentation behavior was studied using modern ambient ionization\ntechnique Direct Analysis in Real Time (DART). DART ion source connected with an ion trap mass spectrometer was\nused for the fragmentation of various substituted chalcones. The chalcones were introduced to the DART source using a glass\ncapillary without sample preparation step. All the chalcones showed prominent molecular ion peaks [M]•+ corresponding to the\nstructures. Multistage mass spectral data MSn (MS2 and MS3) were collected for all the chalcones studied. The chalcones with\nsubstitutions at 3, 4 or 5 positions gave product ion peaks with the loss of a phenyl radical (Ph•) by radical initiated α-cleavage,\nwhile substitution at 2 position of chalcone in the A-ring gave a product ion peak with the loss of substituted styryl radical\n(PhCH = CH•). In case of the chalcones with the substituent at 4 positions in A and B rings gave both types of fragmentation patterns.\nIn conclusion, chalcones can be easily characterized using modern DART interface in very short time and efficiently\nwithout any cumbersome sample pretreatment.},\n\tjournal = {Mass Spectrometry Letters},\n\tauthor = {Rahman, Motiur and Attwa, Mohamed and Ahmad, Pervez and Baseeruddin, Mohammad and Kadi, Adnan},\n\tyear = {2013},\n\tpages = {30--33},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Chalcones are naturally occurring, biologically active molecules generating interest from a wide range of research applications including synthetic methodology development, biological activity investigation and studying fragmentation patterns. In this article, a series of chalcones has been synthesized and their fragmentation behavior was studied using modern ambient ionization technique Direct Analysis in Real Time (DART). DART ion source connected with an ion trap mass spectrometer was used for the fragmentation of various substituted chalcones. The chalcones were introduced to the DART source using a glass capillary without sample preparation step. All the chalcones showed prominent molecular ion peaks [M]•+ corresponding to the structures. Multistage mass spectral data MSn (MS2 and MS3) were collected for all the chalcones studied. The chalcones with substitutions at 3, 4 or 5 positions gave product ion peaks with the loss of a phenyl radical (Ph•) by radical initiated α-cleavage, while substitution at 2 position of chalcone in the A-ring gave a product ion peak with the loss of substituted styryl radical (PhCH = CH•). In case of the chalcones with the substituent at 4 positions in A and B rings gave both types of fragmentation patterns. In conclusion, chalcones can be easily characterized using modern DART interface in very short time and efficiently without any cumbersome sample pretreatment.\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry of covalently bound organic monolayers.\n \n \n \n \n\n\n \n Manova, R. K.; Claassen, F. W.; Nielen, M. W. F.; Zuilhof, H.; and van Beek, T. A.\n\n\n \n\n\n\n Chemical Communications. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{manova_ambient_2013,\n\ttitle = {Ambient mass spectrometry of covalently bound organic monolayers},\n\tissn = {1359-7345},\n\turl = {http://dx.doi.org/10.1039/C2CC37605A},\n\tabstract = {Detailed molecular analysis by Direct Analysis in Real Time High Resolution Mass Spectrometry (DART-HRMS) of ester and amide-terminated monolayers is demonstrated. The structural information obtained allowed monitoring of the progress of a 4-step surface modification.},\n\tjournal = {Chemical Communications},\n\tauthor = {Manova, Radostina K. and Claassen, Frank W. and Nielen, Michel W. F. and Zuilhof, Han and van Beek, Teris A.},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Detailed molecular analysis by Direct Analysis in Real Time High Resolution Mass Spectrometry (DART-HRMS) of ester and amide-terminated monolayers is demonstrated. The structural information obtained allowed monitoring of the progress of a 4-step surface modification.\n
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\n \n\n \n \n \n \n \n \n Screening for trace explosives by AccuTOF™-DART®: An in-depth validation study.\n \n \n \n \n\n\n \n Sisco, E.; Dake, J.; and Bridge, C.\n\n\n \n\n\n\n Forensic Science International, 232(1–3): 160–168. October 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ScreeningPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{sisco_screening_2013,\n\ttitle = {Screening for trace explosives by {AccuTOF}™-{DART}®: {An} in-depth validation study},\n\tvolume = {232},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813003551},\n\tdoi = {10.1016/j.forsciint.2013.07.006},\n\tabstract = {Abstract\nAmbient ionization mass spectrometry is finding increasing utility as a rapid analysis technique in a number of fields. In forensic science specifically, analysis of many types of samples, including drugs, explosives, inks, bank dye, and lotions, has been shown to be possible using these techniques [1]. This paper focuses on one type of ambient ionization mass spectrometry, Direct Analysis in Real Time Mass Spectrometry (DART-MS or DART), and its viability as a screening tool for trace explosives analysis. In order to assess viability, a validation study was completed which focused on the analysis of trace amounts of nitro and peroxide based explosives. Topics which were studied, and are discussed, include method optimization, reproducibility, sensitivity, development of a search library, discrimination of mixtures, and blind sampling. Advantages and disadvantages of this technique over other similar screening techniques are also discussed.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Sisco, Edward and Dake, Jeffrey and Bridge, Candice},\n\tmonth = oct,\n\tyear = {2013},\n\tkeywords = {Ambient ionization mass spectrometry, Gas chromatography mass spectrometry, Trace detection},\n\tpages = {160--168},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Ambient ionization mass spectrometry is finding increasing utility as a rapid analysis technique in a number of fields. In forensic science specifically, analysis of many types of samples, including drugs, explosives, inks, bank dye, and lotions, has been shown to be possible using these techniques [1]. This paper focuses on one type of ambient ionization mass spectrometry, Direct Analysis in Real Time Mass Spectrometry (DART-MS or DART), and its viability as a screening tool for trace explosives analysis. In order to assess viability, a validation study was completed which focused on the analysis of trace amounts of nitro and peroxide based explosives. Topics which were studied, and are discussed, include method optimization, reproducibility, sensitivity, development of a search library, discrimination of mixtures, and blind sampling. Advantages and disadvantages of this technique over other similar screening techniques are also discussed.\n
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\n \n\n \n \n \n \n \n \n High-throughput differentiation of heparin from other glycosaminoglycans by pyrolysis mass spectrometry.\n \n \n \n \n\n\n \n Nemes, P.; Hoover, W. J; and Keire, D. A.\n\n\n \n\n\n\n Analytical Chemistry. July 2013.\n \n\n\n\n
\n\n\n\n \n \n \"High-throughputPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{nemes_high-throughput_2013,\n\ttitle = {High-throughput differentiation of heparin from other glycosaminoglycans by pyrolysis mass spectrometry},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac401318q},\n\tdoi = {10.1021/ac401318q},\n\tabstract = {Sensors with high chemical specificity and enhanced sample throughput are vital to screening food products and medical devices for chemical or biochemical contaminants that may pose a significant threat to public health. For example, the rapid detection of oversulfated chondroitin sulfate (OSCS) in heparin could prevent reoccurrence of this adulterant that caused hundreds of severe adverse events including deaths worldwide in 2007?2008. Here, rapid pyrolysis is integrated with direct analysis in real time (DART) mass spectrometry to rapidly screen major glycosaminoglycans, including: heparin, chondroitin sulfate A, dermatan sulfate, and OSCS. The results demonstrate that, compared to traditional liquid chromatography-based analyses, pyrolysis mass spectrometry achieved at least 250-fold higher sample throughput and was compatible with samples volume-limited to about 300 nL. Pyrolysis yielded an abundance of fragment ions (e.g., 150 different m/z species), many of which were specific to the parent compound. Using multivariate and statistical data analysis models, these data enabled facile differentiation of the glycosaminoglycans with high throughput. After method development was completed, authentically contaminated samples obtained during the heparin crisis by the FDA were analyzed in a blinded manner for OSCS contamination. The lower limit of differentiation and detection were 0.1\\% (w/w) OSCS in heparin and 100 ng/µL (20 ng) OSCS in water, respectively. For quantitative purposes the linear dynamic range spanned approximately three orders of magnitude. Moreover, this chemical readout was successfully employed to find clues in the manufacturing history of the heparin samples that can be used for surveillance purposes. The presented technology and data analysis protocols are anticipated to be readily adaptable to other chemical and biochemical agents and volume-limited samples.},\n\turldate = {2013-07-16},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nemes, Peter and Hoover, William J and Keire, David A.},\n\tmonth = jul,\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Sensors with high chemical specificity and enhanced sample throughput are vital to screening food products and medical devices for chemical or biochemical contaminants that may pose a significant threat to public health. For example, the rapid detection of oversulfated chondroitin sulfate (OSCS) in heparin could prevent reoccurrence of this adulterant that caused hundreds of severe adverse events including deaths worldwide in 2007?2008. Here, rapid pyrolysis is integrated with direct analysis in real time (DART) mass spectrometry to rapidly screen major glycosaminoglycans, including: heparin, chondroitin sulfate A, dermatan sulfate, and OSCS. The results demonstrate that, compared to traditional liquid chromatography-based analyses, pyrolysis mass spectrometry achieved at least 250-fold higher sample throughput and was compatible with samples volume-limited to about 300 nL. Pyrolysis yielded an abundance of fragment ions (e.g., 150 different m/z species), many of which were specific to the parent compound. Using multivariate and statistical data analysis models, these data enabled facile differentiation of the glycosaminoglycans with high throughput. After method development was completed, authentically contaminated samples obtained during the heparin crisis by the FDA were analyzed in a blinded manner for OSCS contamination. The lower limit of differentiation and detection were 0.1% (w/w) OSCS in heparin and 100 ng/µL (20 ng) OSCS in water, respectively. For quantitative purposes the linear dynamic range spanned approximately three orders of magnitude. Moreover, this chemical readout was successfully employed to find clues in the manufacturing history of the heparin samples that can be used for surveillance purposes. The presented technology and data analysis protocols are anticipated to be readily adaptable to other chemical and biochemical agents and volume-limited samples.\n
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\n \n\n \n \n \n \n \n \n Quality by Design Study of the Direct Analysis in Real Time Mass Spectrometry Response.\n \n \n \n \n\n\n \n Wang, L.; Chen, T.; Zeng, S.; and Qu, H.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry,1–8. December 2013.\n \n\n\n\n
\n\n\n\n \n \n \"QualityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wang_quality_2013,\n\ttitle = {Quality by {Design} {Study} of the {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} {Response}},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-013-0779-6},\n\tdoi = {10.1007/s13361-013-0779-6},\n\tabstract = {A mass spectrometry method has been developed using the Quality by Design (QbD) principle. Direct analysis in real time mass spectrometry (DART-MS) was adopted to analyze a pharmaceutical preparation. A fishbone diagram for DART-MS and the Plackett-Burman design were utilized to evaluate the impact of a number of factors on the method performance. Multivariate regression and Pareto ranking analysis indicated that the temperature, determined distance, and sampler speed were statistically significant (P {\\textless} 0.05). Furthermore, the Box-Behnken design combined with response surface analysis was then employed to study the relationships between these three factors and the quality of the DART-MS analysis. The analytical design space of DART-MS was thus constructed and its robustness was validated. In this presented approach, method performance was mathematically described as a composite desirability function of the critical quality attributes (CQAs). Two terms of method validation, including analytical repeatability and method robustness, were carried out at an operating work point. Finally, the validated method was successfully applied to the pharmaceutical quality assurance in different manufacturing batches. These results revealed that the QbD concept was practical in DART-MS method development. Meanwhile, the determined quality was controlled by the analytical design space. This presented strategy provided a tutorial to the development of a robust QbD-compliant mass spectrometry method for industrial quality control.},\n\tlanguage = {English},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Wang, Lu and Chen, Teng and Zeng, Shanshan and Qu, Haibin},\n\tmonth = dec,\n\tyear = {2013},\n\tkeywords = {Analytical method development, Design space, Direct analysis in real time, Method robustness, Quality by design, mass spectrometry},\n\tpages = {1--8},\n}\n\n\n\n
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\n A mass spectrometry method has been developed using the Quality by Design (QbD) principle. Direct analysis in real time mass spectrometry (DART-MS) was adopted to analyze a pharmaceutical preparation. A fishbone diagram for DART-MS and the Plackett-Burman design were utilized to evaluate the impact of a number of factors on the method performance. Multivariate regression and Pareto ranking analysis indicated that the temperature, determined distance, and sampler speed were statistically significant (P \\textless 0.05). Furthermore, the Box-Behnken design combined with response surface analysis was then employed to study the relationships between these three factors and the quality of the DART-MS analysis. The analytical design space of DART-MS was thus constructed and its robustness was validated. In this presented approach, method performance was mathematically described as a composite desirability function of the critical quality attributes (CQAs). Two terms of method validation, including analytical repeatability and method robustness, were carried out at an operating work point. Finally, the validated method was successfully applied to the pharmaceutical quality assurance in different manufacturing batches. These results revealed that the QbD concept was practical in DART-MS method development. Meanwhile, the determined quality was controlled by the analytical design space. This presented strategy provided a tutorial to the development of a robust QbD-compliant mass spectrometry method for industrial quality control.\n
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\n \n\n \n \n \n \n \n \n Characterizations of the Extracts from Geting Bituminous Coal by Spectrometries.\n \n \n \n \n\n\n \n Shi, D.; Wei, X.; Fan, X.; Zong, Z.; Chen, B.; Zhao, Y.; Wang, Y.; and Cao, J.\n\n\n \n\n\n\n Energy & Fuels. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{shi_characterizations_2013,\n\ttitle = {Characterizations of the {Extracts} from {Geting} {Bituminous} {Coal} by {Spectrometries}},\n\tissn = {0887-0624},\n\turl = {http://dx.doi.org/10.1021/ef4004686},\n\tdoi = {10.1021/ef4004686},\n\tabstract = {Geting bituminous coal (GBC) was sequentially extracted with petroleum ether, carbon disulfide (CDS), methanol, acetone, and isometric CDS/acetone mixed solvent at room temperature to afford extracts 1-5 (E1-E5) and residue, respectively. Detailed characterizations of the extracts were performed with a gas chromatography/mass spectrometer (GC/MS), Fourier transform infrared (FTIR) spectrometer, and direct analysis in real time ionization source (DARTIS) coupled to an ion trap mass spectrometer (ITMS). GBC and its residue were also analyzed with the FTIR spectrometer. Particle sizes of the residue were significantly reduced compared with those of GBC according to the observation with scanning electron microscope. Arenes with 1-4 rings and more condensed arenes were enriched into E1 and E2, respectively, while more heteroatom-containing organic species were detected in other extracts, especially in E3 and E4 according to GC/MS analysis. The extracts, especially E1-E4, contain more aliphatic moieties and less aromatic moieties compared to GBC and its residue based on FTIR analysis. DARTIS/ITMS proved to be a powerful tool for analyzing thermally labile and/or involatile species, which are difficult to be identified with GC/MS, in the extracts. The GC-MS gave identification of relative small molecules demonstrating the enrichment of alkanes and 1-3 rings aromatics in E1, 4-6 rings aromatics in E2, organooxygen compounds in E3, phthalates and alkoxycarbonyl benzoic acids in E4. FT-IR analysis showed the functional groups in all extracts were mostly consistent with the GC-MS analysis. It supplied characterization and distribution of large molecules, which was beyond the detection range of GC-MS. DART-MS and corresponding tandem mass spectrometry program (DART-MS-MS) afforded the structural information about a wide variety of homologues (with the same core but different number of CH2) in extracts, which matched well with FT-IR result. Furthermore, the DART-MS-MS also elucidated the identification of alkoxycarbonyl benzoic acids series and et al, which was in good agreement with GC-MS result. These work confirmed that the DART-MS, as a novel and cutting-edge technology, is a desirable and reliable technology in coal chemistry. In this paper, combined with sophisticate GC-MS and FT-IR, DART-MS offered us detailed characteristics of GBC extract on molecule-level.},\n\turldate = {2013-06-25},\n\tjournal = {Energy \\& Fuels},\n\tauthor = {Shi, Da-Ling and Wei, Xian-Yong and Fan, Xing and Zong, Zhi-Min and Chen, Bo and Zhao, Yun-Peng and Wang, Yu-Gao and Cao, Jing-Pei},\n\tmonth = jun,\n\tyear = {2013},\n}\n\n\n\n
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\n Geting bituminous coal (GBC) was sequentially extracted with petroleum ether, carbon disulfide (CDS), methanol, acetone, and isometric CDS/acetone mixed solvent at room temperature to afford extracts 1-5 (E1-E5) and residue, respectively. Detailed characterizations of the extracts were performed with a gas chromatography/mass spectrometer (GC/MS), Fourier transform infrared (FTIR) spectrometer, and direct analysis in real time ionization source (DARTIS) coupled to an ion trap mass spectrometer (ITMS). GBC and its residue were also analyzed with the FTIR spectrometer. Particle sizes of the residue were significantly reduced compared with those of GBC according to the observation with scanning electron microscope. Arenes with 1-4 rings and more condensed arenes were enriched into E1 and E2, respectively, while more heteroatom-containing organic species were detected in other extracts, especially in E3 and E4 according to GC/MS analysis. The extracts, especially E1-E4, contain more aliphatic moieties and less aromatic moieties compared to GBC and its residue based on FTIR analysis. DARTIS/ITMS proved to be a powerful tool for analyzing thermally labile and/or involatile species, which are difficult to be identified with GC/MS, in the extracts. The GC-MS gave identification of relative small molecules demonstrating the enrichment of alkanes and 1-3 rings aromatics in E1, 4-6 rings aromatics in E2, organooxygen compounds in E3, phthalates and alkoxycarbonyl benzoic acids in E4. FT-IR analysis showed the functional groups in all extracts were mostly consistent with the GC-MS analysis. It supplied characterization and distribution of large molecules, which was beyond the detection range of GC-MS. DART-MS and corresponding tandem mass spectrometry program (DART-MS-MS) afforded the structural information about a wide variety of homologues (with the same core but different number of CH2) in extracts, which matched well with FT-IR result. Furthermore, the DART-MS-MS also elucidated the identification of alkoxycarbonyl benzoic acids series and et al, which was in good agreement with GC-MS result. These work confirmed that the DART-MS, as a novel and cutting-edge technology, is a desirable and reliable technology in coal chemistry. In this paper, combined with sophisticate GC-MS and FT-IR, DART-MS offered us detailed characteristics of GBC extract on molecule-level.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time high-resolution mass spectrometry for high-throughput analysis of antiparasitic veterinary drugs in feed and food.\n \n \n \n \n\n\n \n Martínez-Villalba, A.; Vaclavik, L.; Moyano, E.; Galceran, M. T.; and Hajslova, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(3): 467–475. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{martinez-villalba_direct_2013,\n\ttitle = {Direct analysis in real time high-resolution mass spectrometry for high-throughput analysis of antiparasitic veterinary drugs in feed and food},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6466},\n\tdoi = {10.1002/rcm.6466},\n\tabstract = {RATIONALE \n \nDirect analysis in real time (DART) is a novel ionization technique that has been demonstrated in numerous applications as a useful tool for fast and convenient mass spectrometry (MS)-based analysis of complex samples. In this study, the feasibility of DART ionization coupled to a high-resolution mass spectrometer utilizing an orbitrap mass analyzer (orbitrap MS) for high-throughput analysis of antiparasitic veterinary drugs was explored. \n \nMETHODS \n \nTo obtain the best DART-orbitrap MS performance, stepwise optimization of instrumental parameter settings, such as ionization gas temperature and mass resolving power, was performed. The optimized method was applied to feed and bovine milk samples previously extracted following a QuEChERS-like strategy. \n \nRESULTS \n \nMost antiparasitic drugs could be analyzed following the described method. Positive DART ionization provided the protonated molecules [M+H]+; in negative DART ion mode, deprotonated molecules [M–H]– were observed. As an exception, polyether ionophores could be observed as the sodiated adducts [M+Na]+. Samples of milk and feed were extracted using a modified QuEChERS method for the determination of benzimidazoles and coccidiostats respectively and quantification was carried out by matrix-matched calibration curves. \n \nCONCLUSIONS \n \nThe combination of an analysis time of less than 1 min per sample and the possibility to acquire accurate masses under high mass resolving power (HR) makes the DART-HRMS technique an effective tool for rapid qualitative screening of antiparasitic veterinary drugs. Additionally, the results obtained in this study demonstrated the feasibility of this approach to quantify target analytes at levels down to 1 µg kg–1 for benzimidazolic compounds in milk and 0.25 mg kg–1 for coccidiostats in chicken feed. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Martínez-Villalba, Anna and Vaclavik, Lukas and Moyano, Encarnación and Galceran, Maria Teresa and Hajslova, Jana},\n\tyear = {2013},\n\tpages = {467--475},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Direct analysis in real time (DART) is a novel ionization technique that has been demonstrated in numerous applications as a useful tool for fast and convenient mass spectrometry (MS)-based analysis of complex samples. In this study, the feasibility of DART ionization coupled to a high-resolution mass spectrometer utilizing an orbitrap mass analyzer (orbitrap MS) for high-throughput analysis of antiparasitic veterinary drugs was explored. METHODS To obtain the best DART-orbitrap MS performance, stepwise optimization of instrumental parameter settings, such as ionization gas temperature and mass resolving power, was performed. The optimized method was applied to feed and bovine milk samples previously extracted following a QuEChERS-like strategy. RESULTS Most antiparasitic drugs could be analyzed following the described method. Positive DART ionization provided the protonated molecules [M+H]+; in negative DART ion mode, deprotonated molecules [M–H]– were observed. As an exception, polyether ionophores could be observed as the sodiated adducts [M+Na]+. Samples of milk and feed were extracted using a modified QuEChERS method for the determination of benzimidazoles and coccidiostats respectively and quantification was carried out by matrix-matched calibration curves. CONCLUSIONS The combination of an analysis time of less than 1 min per sample and the possibility to acquire accurate masses under high mass resolving power (HR) makes the DART-HRMS technique an effective tool for rapid qualitative screening of antiparasitic veterinary drugs. Additionally, the results obtained in this study demonstrated the feasibility of this approach to quantify target analytes at levels down to 1 µg kg–1 for benzimidazolic compounds in milk and 0.25 mg kg–1 for coccidiostats in chicken feed. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Non-visible print set-off of photoinitiators in food packaging: detection by ambient ionization mass spectrometry.\n \n \n \n \n\n\n \n Bentayeb, K.; Ackerman, L.; Lord, T.; and Begley, T.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A,null–null. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Non-visiblePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{bentayeb_non-visible_2013,\n\ttitle = {Non-visible print set-off of photoinitiators in food packaging: detection by ambient ionization mass spectrometry},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2012.762694},\n\tdoi = {10.1080/19440049.2012.762694},\n\tabstract = {Abstract Direct Analysis in Real Time coupled to Time of Flight Mass Spectrometry (DART/TOF-MS) was used to detect the non-visible set-off of photoinitiators on the food contact surface of three different packages. The samples were intentionally under-cured to provoke set-off. Twelve commercially available photoinitiators were included in the ink formulations including α?amino-, morpholino, and α?hydroxy benzophenones, thioxanthones, aryl-phosphine oxide and three polymeric versions of these. Major colors of the packages' prints were analyzed, as well as the specific areas of the inner surface in contact with them. Larger quantities of photoinitiators were detected on the food contact areas in contact with the darker colors of the images. Speed-cure 7005 and 4-phenylbenzophenone were the compounds most susceptible to set-off in each of the samples by DART response. An identification protocol for unknown set-off compounds was tested resulting in the set-off detection of diethylene glycol ethers, erucamide and acrylates, and confirmed by solvent extraction GC-MS analysis. Finally, DART/TOF-MS was scanned across transects of the food contact side of packages to map the presence of photoinitiators. Higher photoinitiator signals were observed in patterns corresponding to the printed image, suggesting DART/TOF-MS might ?image? print set-off.},\n\turldate = {2013-01-14},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Bentayeb, K. and Ackerman, L.K. and Lord, T. and Begley, T.H.},\n\tmonth = jan,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
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\n Abstract Direct Analysis in Real Time coupled to Time of Flight Mass Spectrometry (DART/TOF-MS) was used to detect the non-visible set-off of photoinitiators on the food contact surface of three different packages. The samples were intentionally under-cured to provoke set-off. Twelve commercially available photoinitiators were included in the ink formulations including α?amino-, morpholino, and α?hydroxy benzophenones, thioxanthones, aryl-phosphine oxide and three polymeric versions of these. Major colors of the packages' prints were analyzed, as well as the specific areas of the inner surface in contact with them. Larger quantities of photoinitiators were detected on the food contact areas in contact with the darker colors of the images. Speed-cure 7005 and 4-phenylbenzophenone were the compounds most susceptible to set-off in each of the samples by DART response. An identification protocol for unknown set-off compounds was tested resulting in the set-off detection of diethylene glycol ethers, erucamide and acrylates, and confirmed by solvent extraction GC-MS analysis. Finally, DART/TOF-MS was scanned across transects of the food contact side of packages to map the presence of photoinitiators. Higher photoinitiator signals were observed in patterns corresponding to the printed image, suggesting DART/TOF-MS might ?image? print set-off.\n
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\n \n\n \n \n \n \n \n \n Electro-Thermal Vaporization Direct Analysis in Real Time-Mass Spectrometry for Water Contaminant Analysis during Space Missions.\n \n \n \n \n\n\n \n Dwivedi, P.; Gazda, D. B.; Keelor, J. D.; Limero, T. F.; Wallace, W. T.; Macatangay, A. V.; and Fernández, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 85(20): 9898–9906. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Electro-ThermalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{dwivedi_electro-thermal_2013,\n\ttitle = {Electro-{Thermal} {Vaporization} {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry} for {Water} {Contaminant} {Analysis} during {Space} {Missions}},\n\tvolume = {85},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac402365k},\n\tdoi = {10.1021/ac402365k},\n\tabstract = {The development of a direct analysis in real time-mass spectrometry (DART-MS) method and first prototype vaporizer for the detection of low molecular weight (?30?100 Da) contaminants representative of those detected in water samples from the International Space Station is reported. A temperature-programmable, electro-thermal vaporizer (ETV) was designed, constructed, and evaluated as a sampling interface for DART-MS. The ETV facilitates analysis of water samples with minimum user intervention while maximizing analytical sensitivity and sample throughput. The integrated DART-ETV-MS methodology was evaluated in both positive and negative ion modes to (1) determine experimental conditions suitable for coupling DART with ETV as a sample inlet and ionization platform for time-of-flight MS, (2) to identify analyte response ions, (3) to determine the detection limit and dynamic range for target analyte measurement, and (4) to determine the reproducibility of measurements made with the method when using manual sample introduction into the vaporizer. Nitrogen was used as the DART working gas, and the target analytes chosen for the study were ethyl acetate, acetone, acetaldehyde, ethanol, ethylene glycol, dimethylsilanediol, formaldehyde, isopropanol, methanol, methylethyl ketone, methylsulfone, propylene glycol, and trimethylsilanol.},\n\tnumber = {20},\n\turldate = {2013-11-25},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Dwivedi, Prabha and Gazda, Daniel B. and Keelor, Joel D. and Limero, Thomas F. and Wallace, William T. and Macatangay, Ariel V. and Fernández, Facundo M.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {9898--9906},\n}\n\n\n\n
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\n The development of a direct analysis in real time-mass spectrometry (DART-MS) method and first prototype vaporizer for the detection of low molecular weight (?30?100 Da) contaminants representative of those detected in water samples from the International Space Station is reported. A temperature-programmable, electro-thermal vaporizer (ETV) was designed, constructed, and evaluated as a sampling interface for DART-MS. The ETV facilitates analysis of water samples with minimum user intervention while maximizing analytical sensitivity and sample throughput. The integrated DART-ETV-MS methodology was evaluated in both positive and negative ion modes to (1) determine experimental conditions suitable for coupling DART with ETV as a sample inlet and ionization platform for time-of-flight MS, (2) to identify analyte response ions, (3) to determine the detection limit and dynamic range for target analyte measurement, and (4) to determine the reproducibility of measurements made with the method when using manual sample introduction into the vaporizer. Nitrogen was used as the DART working gas, and the target analytes chosen for the study were ethyl acetate, acetone, acetaldehyde, ethanol, ethylene glycol, dimethylsilanediol, formaldehyde, isopropanol, methanol, methylethyl ketone, methylsulfone, propylene glycol, and trimethylsilanol.\n
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\n \n\n \n \n \n \n \n \n Evaluation of direct analysis in real time ionization–mass spectrometry (DART–MS) in fish metabolomics aimed to assess the response to dietary supplementation.\n \n \n \n \n\n\n \n Cajka, T.; Danhelova, H.; Vavrecka, A.; Riddellova, K.; Kocourek, V.; Vacha, F.; and Hajslova, J.\n\n\n \n\n\n\n Talanta, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{cajka_evaluation_2013,\n\ttitle = {Evaluation of direct analysis in real time ionization–mass spectrometry ({DART}–{MS}) in fish metabolomics aimed to assess the response to dietary supplementation},\n\tissn = {0039-9140},\n\turl = {http://www.sciencedirect.com/science/article/pii/S003991401300307X},\n\tdoi = {10.1016/j.talanta.2013.04.025},\n\tabstract = {Abstract \nAmbient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium-high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a rapid tool for metabolomic fingerprinting to study the effects of supplemental feeding with cereals (triticale) on the composition of muscle metabolites of common carp (Cyprinus carpio L.). \n \nFirst, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from common carp muscle. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. Next, the metabolomic fingerprints (mass spectra) of a large set of common carp muscle extracts were acquired. Finally, the experimental data were statistically evaluated using principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). \n \nUsing this approach, differentiation of common carp muscle in response to dietary supplementation (feeding with and without cereals) was feasible. Correct classification was obtained based on the assessment of polar and as well as non-polar extracts fingerprints. The current study showed that DART–TOFMS metabolomic fingerprinting represents a rapid and powerful analytical strategy enabling differentiation of common carp muscles according to feeding history by recording metabolomic fingerprints of ionizable components under the conditions of ambient MS.},\n\tnumber = {0},\n\tjournal = {Talanta},\n\tauthor = {Cajka, Tomas and Danhelova, Hana and Vavrecka, Antonin and Riddellova, Katerina and Kocourek, Vladimir and Vacha, Frantisek and Hajslova, Jana},\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time (DART), Feeding, Fish, Metabolomic fingerprinting, mass spectrometry},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Abstract Ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium-high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a rapid tool for metabolomic fingerprinting to study the effects of supplemental feeding with cereals (triticale) on the composition of muscle metabolites of common carp (Cyprinus carpio L.). First, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from common carp muscle. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. Next, the metabolomic fingerprints (mass spectra) of a large set of common carp muscle extracts were acquired. Finally, the experimental data were statistically evaluated using principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). Using this approach, differentiation of common carp muscle in response to dietary supplementation (feeding with and without cereals) was feasible. Correct classification was obtained based on the assessment of polar and as well as non-polar extracts fingerprints. The current study showed that DART–TOFMS metabolomic fingerprinting represents a rapid and powerful analytical strategy enabling differentiation of common carp muscles according to feeding history by recording metabolomic fingerprints of ionizable components under the conditions of ambient MS.\n
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\n \n\n \n \n \n \n \n \n Determination of cocaine and methadone in urine samples by thin-film solid-phase microextraction and direct analysis in real time (DART) coupled with tandem mass spectrometry.\n \n \n \n \n\n\n \n Rodriguez-Lafuente, A.; Mirnaghi, F.; and Pawliszyn, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–5. May 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{rodriguez-lafuente_determination_2013,\n\ttitle = {Determination of cocaine and methadone in urine samples by thin-film solid-phase microextraction and direct analysis in real time ({DART}) coupled with tandem mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6993-z},\n\tdoi = {10.1007/s00216-013-6993-z},\n\tabstract = {The use of thin-film solid-phase microextraction (SPME) as the sampling preparation step before direct analysis in real time (DART) was evaluated for the determination of two prohibited doping substances, cocaine and methadone, in urine samples. Results showed that thin-film SPME improves the detectability of these compounds: signal-to-blank ratios of 5 (cocaine) and 13 (methadone) were obtained in the analysis of 0.5 ng/ml in human urine. Thin-film SPME also provides efficient sample cleanup, avoiding contamination of the ion source by salt residues from the urine samples. Extraction time was established in 10 min, thus providing relatively short analysis time and high throughput when combined with a 96-well shaker and coupled with DART technique.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Rodriguez-Lafuente, Angel and Mirnaghi, FatemehS. and Pawliszyn, Janusz},\n\tmonth = may,\n\tyear = {2013},\n\tkeywords = {DART, Doping, Thin-film SPME, Urine},\n\tpages = {1--5},\n}\n\n\n\n
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\n The use of thin-film solid-phase microextraction (SPME) as the sampling preparation step before direct analysis in real time (DART) was evaluated for the determination of two prohibited doping substances, cocaine and methadone, in urine samples. Results showed that thin-film SPME improves the detectability of these compounds: signal-to-blank ratios of 5 (cocaine) and 13 (methadone) were obtained in the analysis of 0.5 ng/ml in human urine. Thin-film SPME also provides efficient sample cleanup, avoiding contamination of the ion source by salt residues from the urine samples. Extraction time was established in 10 min, thus providing relatively short analysis time and high throughput when combined with a 96-well shaker and coupled with DART technique.\n
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\n \n\n \n \n \n \n \n \n The use HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS for rapid analysis of degradation by oxidation and sonication of an azo dye.\n \n \n \n \n\n\n \n Djelal, H.; Cornée, C.; Tartivel, R.; Lavastre, O.; and Amrane, A.\n\n\n \n\n\n\n Arabian Journal of Chemistry, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{djelal_use_2013,\n\ttitle = {The use {HPTLC} and {Direct} {Analysis} in {Real} {Time}-{Of}-{Flight} {Mass} {Spectrometry} {DART}-{TOF}-{MS} for rapid analysis of degradation by oxidation and sonication of an azo dye},\n\tissn = {1878-5352},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1878535213001676},\n\tdoi = {10.1016/j.arabjc.2013.06.003},\n\tabstract = {Abstract \nAdvanced oxidation processes are efficient for the removal of recalcitrant compounds, like azo-dyes. However, the intermediates produced during their degradation can be more toxic than the parent compounds. Improving the knowledge concerning the degradation pathways may be therefore helpful to optimize the process. In this aim, HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS were considered and applied to analyze the sono-oxidation of an azo dye, methyl red sodium salt (MRSS) as a model compound. Initial and final UV-Vis spectra showed a clear disappearance of the maximum absorption peak, but shows limit since it cannot allow by-products identification. MRSS degradation was confirmed by HPTLC, which also confirmed that MRSS degradation was mainly due to oxidation, while in the considered experimental conditions the sonication effect appeared negligible. Three major peaks were observed by DART-TOF-MS after MRSS oxidation, m/z=139.002, m/z=223.073 and m/z=279.137, Relative abundance of m/z=139.002, which was much higher after oxidation, tends to prove that a large proportion of initial oxydized MRSS was fragmented. The MRSS m/z = 270.078. The coupling of HPTLC and DART-TOF-MS may be subsequently considered to identify the oxidation reaction products.},\n\tnumber = {0},\n\tjournal = {Arabian Journal of Chemistry},\n\tauthor = {Djelal, Hayet and Cornée, Carole and Tartivel, Ronan and Lavastre, Olivier and Amrane, Abdeltif},\n\tyear = {2013},\n\tkeywords = {Azo dyes, DART-TOF-MS, HPTLC, MRSS, Sono-oxidation},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Advanced oxidation processes are efficient for the removal of recalcitrant compounds, like azo-dyes. However, the intermediates produced during their degradation can be more toxic than the parent compounds. Improving the knowledge concerning the degradation pathways may be therefore helpful to optimize the process. In this aim, HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS were considered and applied to analyze the sono-oxidation of an azo dye, methyl red sodium salt (MRSS) as a model compound. Initial and final UV-Vis spectra showed a clear disappearance of the maximum absorption peak, but shows limit since it cannot allow by-products identification. MRSS degradation was confirmed by HPTLC, which also confirmed that MRSS degradation was mainly due to oxidation, while in the considered experimental conditions the sonication effect appeared negligible. Three major peaks were observed by DART-TOF-MS after MRSS oxidation, m/z=139.002, m/z=223.073 and m/z=279.137, Relative abundance of m/z=139.002, which was much higher after oxidation, tends to prove that a large proportion of initial oxydized MRSS was fragmented. The MRSS m/z = 270.078. The coupling of HPTLC and DART-TOF-MS may be subsequently considered to identify the oxidation reaction products.\n
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\n \n\n \n \n \n \n \n \n Detection of drugs in latent fingermarks by two mass spectrometric methods.\n \n \n \n \n\n\n \n Lim, A. Y.; Rowell, F J; Elumbaring-Salazar, C. G.; Loke, J.; and Ma, J.\n\n\n \n\n\n\n Analytical Methods. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lim_detection_2013,\n\ttitle = {Detection of drugs in latent fingermarks by two mass spectrometric methods},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY40538A},\n\tdoi = {10.1039/C3AY40538A},\n\tabstract = {The ability of two mass spectrometric methods, surface assisted laser desorption ionization mass spectrometry (SALDI-MS) and direct analysis in real time mass spectrometry (DART-MS), to detect the presence of 5 drugs in latent fingermarks has been examined. It was found that each drug could be detected with good sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-MS. In contrast, for latent marks lifted from 3 surfaces (ceramic tile, wood laminate and backing of adhesive tape), no drug could be detected in dusted marks on the surface of a commercial lifting tape by DART-MS due to high background interference from the tape material, whereas all the drugs could be detected by SALDI-MS on equivalent marks. Also, it was demonstrated that drug-spiked latent fingermarks pre-dusted with regular fingerprint powder and lifted using conventional lifting tape could be redeveloped with carbon black doped silica particles to enable MS interrogation via SALDI-MS.},\n\tjournal = {Analytical Methods},\n\tauthor = {Lim, Angelina Yimei and Rowell, F J and Elumbaring-Salazar, Cheryl Grace and Loke, Jason and Ma, Jan},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n The ability of two mass spectrometric methods, surface assisted laser desorption ionization mass spectrometry (SALDI-MS) and direct analysis in real time mass spectrometry (DART-MS), to detect the presence of 5 drugs in latent fingermarks has been examined. It was found that each drug could be detected with good sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-MS. In contrast, for latent marks lifted from 3 surfaces (ceramic tile, wood laminate and backing of adhesive tape), no drug could be detected in dusted marks on the surface of a commercial lifting tape by DART-MS due to high background interference from the tape material, whereas all the drugs could be detected by SALDI-MS on equivalent marks. Also, it was demonstrated that drug-spiked latent fingermarks pre-dusted with regular fingerprint powder and lifted using conventional lifting tape could be redeveloped with carbon black doped silica particles to enable MS interrogation via SALDI-MS.\n
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\n \n\n \n \n \n \n \n \n Development of a rapid screening method to determine primary aromatic amines in kitchen utensils using direct analysis in real time mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Paseiro-Cerrato, R.; Noonan, G. O.; and Begley, T. H.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A,null–null. November 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DevelopmentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{paseiro-cerrato_development_2013,\n\ttitle = {Development of a rapid screening method to determine primary aromatic amines in kitchen utensils using direct analysis in real time mass spectrometry ({DART}-{MS})},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2013.867366},\n\tdoi = {10.1080/19440049.2013.867366},\n\tabstract = {Primary aromatic amines (PAAs) are a group of substances with undesirable health effects, that are used in a variety of commercial products. Several recent studies, using a number of screening and confirmatory methods, have reported the migration of PAAs from some kitchen utensils into acetic acid 3\\% (w/v). Many of these methods require significant sample preparation, therefore the aim of this work was to determine if direct analysis in real time mass spectrometry (DART-MS) could be utilized as a rapid screening tool for the determination of PAAs in kitchen utensils. DART-MS results from direct analysis of the utensil have been compared with results of PAA migration by ultra high performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) method. The UPLC-MS/MS method had excellent linearity, appropriate sensitivity (LOD ≤ 1.5 µg L?1; LOQ ≤ 4.5 µg L?1), repeatability from 2.4 to 13.2\\% and acceptable recoveries. DART-MS results were in good agreement with UPLC-MS/MS data, with 100\\% of non-compliant (PAA positive) samples successfully identified by DART-MS.},\n\turldate = {2013-11-27},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Paseiro-Cerrato, R. and Noonan, G. O. and Begley, T. H.},\n\tmonth = nov,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
\n
\n\n\n
\n Primary aromatic amines (PAAs) are a group of substances with undesirable health effects, that are used in a variety of commercial products. Several recent studies, using a number of screening and confirmatory methods, have reported the migration of PAAs from some kitchen utensils into acetic acid 3% (w/v). Many of these methods require significant sample preparation, therefore the aim of this work was to determine if direct analysis in real time mass spectrometry (DART-MS) could be utilized as a rapid screening tool for the determination of PAAs in kitchen utensils. DART-MS results from direct analysis of the utensil have been compared with results of PAA migration by ultra high performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) method. The UPLC-MS/MS method had excellent linearity, appropriate sensitivity (LOD ≤ 1.5 µg L?1; LOQ ≤ 4.5 µg L?1), repeatability from 2.4 to 13.2% and acceptable recoveries. DART-MS results were in good agreement with UPLC-MS/MS data, with 100% of non-compliant (PAA positive) samples successfully identified by DART-MS.\n
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\n \n\n \n \n \n \n \n What Is the Opposite of Pandora’s Box? Direct Analysis, Ambient Ionization, and a New Generation of Atmospheric Pressure Ion Sources.\n \n \n \n\n\n \n Cody, R. B.\n\n\n \n\n\n\n Mass Spectrometry, 2(Special_Issue): S0007–S0007. 2013.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cody_what_2013,\n\ttitle = {What {Is} the {Opposite} of {Pandora}’s {Box}? {Direct} {Analysis}, {Ambient} {Ionization}, and a {New} {Generation} of {Atmospheric} {Pressure} {Ion} {Sources}},\n\tvolume = {2},\n\tabstract = {The introduction of DART and DESI sources approximately seven years ago led to the development of a new series of atmospheric pressure ion sources referred to as “ambient ionization” sources. These fall into two major categories: spray techniques like DESI or plasma techniques like DART. The selectivity of “direct ionization,” meaning analysis without chromatography and with little or no sample preparation, depends on the mass spectrometer selectivity. Although high resolution and tandem mass spectrometry are valuable tools, rapid and simple sample preparation methods can improve the utility of ambient ionization methods. The concept of ambient ionization has led to the realization that there are many more ways to form ions than might be expected. An interesting example is the use of a flint-and-steel spark source to generate ions from compounds such as phenolphthalein and Gramicidin S.},\n\tnumber = {Special\\_Issue},\n\tjournal = {Mass Spectrometry},\n\tauthor = {Cody, Robert B.},\n\tyear = {2013},\n\tpages = {S0007--S0007},\n}\n\n\n\n
\n
\n\n\n
\n The introduction of DART and DESI sources approximately seven years ago led to the development of a new series of atmospheric pressure ion sources referred to as “ambient ionization” sources. These fall into two major categories: spray techniques like DESI or plasma techniques like DART. The selectivity of “direct ionization,” meaning analysis without chromatography and with little or no sample preparation, depends on the mass spectrometer selectivity. Although high resolution and tandem mass spectrometry are valuable tools, rapid and simple sample preparation methods can improve the utility of ambient ionization methods. The concept of ambient ionization has led to the realization that there are many more ways to form ions than might be expected. An interesting example is the use of a flint-and-steel spark source to generate ions from compounds such as phenolphthalein and Gramicidin S.\n
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\n \n\n \n \n \n \n \n \n Trace analysis of energetic materials via direct analyte-probed nanoextraction coupled to direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Clemons, K.; Dake, J.; Sisco, E.; and Verbeck IV, G. F.\n\n\n \n\n\n\n Forensic Science International, 231(1–3): 98–101. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"TracePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{clemons_trace_2013,\n\ttitle = {Trace analysis of energetic materials via direct analyte-probed nanoextraction coupled to direct analysis in real time mass spectrometry},\n\tvolume = {231},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813002454},\n\tdoi = {10.1016/j.forsciint.2013.04.022},\n\tabstract = {Abstract \nDirect analysis in real time mass spectrometry (DART-MS) has proven to be a useful forensic tool for the trace analysis of energetic materials. While other techniques for detecting trace amounts of explosives involve extraction, derivatization, solvent exchange, or sample clean-up, DART-MS requires none of these. Typical DART-MS analyses directly from a solid sample or from a swab have been quite successful; however, these methods may not always be an optimal sampling technique in a forensic setting. For example, if the sample were only located in an area which included a latent fingerprint of interest, direct DART-MS analysis or the use of a swab would almost certainly destroy the print. To avoid ruining such potentially invaluable evidence, another method has been developed which will leave the fingerprint virtually untouched. Direct analyte-probed nanoextraction coupled to nanospray ionization-mass spectrometry (DAPNe–NSI-MS) has demonstrated excellent sensitivity and repeatability in forensic analyses of trace amounts of illicit drugs from various types of surfaces. This technique employs a nanomanipulator in conjunction with bright-field microscopy to extract single particles from a surface of interest and has provided a limit of detection of 300 attograms for caffeine. Combining DAPNe with DART-MS provides another level of flexibility in forensic analysis, and has proven to be a sufficient detection method for trinitrotoluene (TNT), RDX, and 1-methylaminoanthraquinone (MAAQ).},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Clemons, Kristina and Dake, Jeffrey and Sisco, Edward and Verbeck IV, Guido F.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Direct analyte-probed nanoextraction, Explosives, Latent fingerprint, forensic science, mass spectrometry},\n\tpages = {98--101},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Direct analysis in real time mass spectrometry (DART-MS) has proven to be a useful forensic tool for the trace analysis of energetic materials. While other techniques for detecting trace amounts of explosives involve extraction, derivatization, solvent exchange, or sample clean-up, DART-MS requires none of these. Typical DART-MS analyses directly from a solid sample or from a swab have been quite successful; however, these methods may not always be an optimal sampling technique in a forensic setting. For example, if the sample were only located in an area which included a latent fingerprint of interest, direct DART-MS analysis or the use of a swab would almost certainly destroy the print. To avoid ruining such potentially invaluable evidence, another method has been developed which will leave the fingerprint virtually untouched. Direct analyte-probed nanoextraction coupled to nanospray ionization-mass spectrometry (DAPNe–NSI-MS) has demonstrated excellent sensitivity and repeatability in forensic analyses of trace amounts of illicit drugs from various types of surfaces. This technique employs a nanomanipulator in conjunction with bright-field microscopy to extract single particles from a surface of interest and has provided a limit of detection of 300 attograms for caffeine. Combining DAPNe with DART-MS provides another level of flexibility in forensic analysis, and has proven to be a sufficient detection method for trinitrotoluene (TNT), RDX, and 1-methylaminoanthraquinone (MAAQ).\n
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\n \n\n \n \n \n \n \n \n Characterization of Blood in an Encrustation on an African Mask: Spectroscopic and Direct Analysis in Real Time Mass Spectrometric Identification of Haem.\n \n \n \n \n\n\n \n Fraser, D.; Selvius DeRoo, C.; Cody, R. B; and Armitage, R. A.\n\n\n \n\n\n\n Analyst. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fraser_characterization_2013,\n\ttitle = {Characterization of {Blood} in an {Encrustation} on an {African} {Mask}: {Spectroscopic} and {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometric} {Identification} of {Haem}},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00633F},\n\tdoi = {10.1039/C3AN00633F},\n\tabstract = {Prior to exhibiting an African Komo mask from the collections of the Detroit Institute of Arts, a multianalytical approach was undertaken to characterize the flaking encrusted coating on the surface of the mask. Preliminary XRF and FTIR examination of the coating on the Komo mask revealed the presence of significant quantities of iron and protein, possibly indicating the presence of blood. Raman spectroscopy showed evidence for the porphyrin structure of haem as well. To confirm that blood was indeed present in the coating, we developed a novel method for identifying the haem moiety from blood by use of in-situ methylation and direct analysis in real time mass spectrometry (DART-MS). Following a denaturing step with formic acid, the resulting solution was combined with an excess of phenyltrimethylammonium hydroxide to promote desorption, applied to a melting point tube, and placed into the Direct Analysis in Real Time ion source gas stream at 550 [degree]C. The permethylated haem ion (m/z 644.208) from myoglobin, haemoglobin, fresh blood, and blood aged in the laboratory for 10 years was readily observed above the background. By the described DART-TOF-MS method, permethylated haem was positively identified in the mask coating, confirming the presence of blood. This method has obvious utility in forensic science beyond that for identifying blood incorporated in cultural heritage materials.},\n\tjournal = {Analyst},\n\tauthor = {Fraser, Daniel and Selvius DeRoo, Cathy and Cody, Robert B and Armitage, Ruth Ann},\n\tyear = {2013},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Prior to exhibiting an African Komo mask from the collections of the Detroit Institute of Arts, a multianalytical approach was undertaken to characterize the flaking encrusted coating on the surface of the mask. Preliminary XRF and FTIR examination of the coating on the Komo mask revealed the presence of significant quantities of iron and protein, possibly indicating the presence of blood. Raman spectroscopy showed evidence for the porphyrin structure of haem as well. To confirm that blood was indeed present in the coating, we developed a novel method for identifying the haem moiety from blood by use of in-situ methylation and direct analysis in real time mass spectrometry (DART-MS). Following a denaturing step with formic acid, the resulting solution was combined with an excess of phenyltrimethylammonium hydroxide to promote desorption, applied to a melting point tube, and placed into the Direct Analysis in Real Time ion source gas stream at 550 [degree]C. The permethylated haem ion (m/z 644.208) from myoglobin, haemoglobin, fresh blood, and blood aged in the laboratory for 10 years was readily observed above the background. By the described DART-TOF-MS method, permethylated haem was positively identified in the mask coating, confirming the presence of blood. This method has obvious utility in forensic science beyond that for identifying blood incorporated in cultural heritage materials.\n
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\n \n\n \n \n \n \n \n \n Polydimethylsiloxane-based wide-range mass calibration for direct analysis in real-time mass spectrometry.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. August 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Polydimethylsiloxane-basedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{gross_polydimethylsiloxane-based_2013,\n\ttitle = {Polydimethylsiloxane-based wide-range mass calibration for direct analysis in real-time mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-7287-1},\n\tdoi = {10.1007/s00216-013-7287-1},\n\tabstract = {Direct analysis in real-time mass spectrometry (DART-MS) is normally applied for small-molecule analysis up to about m/z 1,000. Here, for the analysis of polydimethylsiloxanes, high-mass capabilities expanding beyond m/z 3,000 are demonstrated. In addition, polydimethylsiloxanes provide an ideal mass calibration standard for positive-ion DART-MS. A mass reference list has been compiled to cover ions from m/z 200 up to m/z 2,600. Species with more than 20 silicon atoms exhibit increasingly broader isotopic patterns with decreasing abundances of the monoisotopic ions. The use of the first isotopic peaks for analyte ions above m/z 2,000 serves as a work-around and ensures easy and reproducible recognition of the reference peaks by the instrument data system. Here, the positive-ion DART mass spectra of polydimethylsiloxanes and the corresponding experimental procedures are described, and the mass reference list is provided.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = aug,\n\tyear = {2013},\n\tkeywords = {Accurate mass, Direct analysis in real time (DART), Mass calibration, Polymer analysis, Polysiloxanes, mass spectrometry},\n\tpages = {1--6},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real-time mass spectrometry (DART-MS) is normally applied for small-molecule analysis up to about m/z 1,000. Here, for the analysis of polydimethylsiloxanes, high-mass capabilities expanding beyond m/z 3,000 are demonstrated. In addition, polydimethylsiloxanes provide an ideal mass calibration standard for positive-ion DART-MS. A mass reference list has been compiled to cover ions from m/z 200 up to m/z 2,600. Species with more than 20 silicon atoms exhibit increasingly broader isotopic patterns with decreasing abundances of the monoisotopic ions. The use of the first isotopic peaks for analyte ions above m/z 2,000 serves as a work-around and ensures easy and reproducible recognition of the reference peaks by the instrument data system. Here, the positive-ion DART mass spectra of polydimethylsiloxanes and the corresponding experimental procedures are described, and the mass reference list is provided.\n
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\n \n\n \n \n \n \n \n \n Newborn screening of phenylketonuria using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Wang, C.; Zhu, H.; Cai, Z.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. February 2013.\n \n\n\n\n
\n\n\n\n \n \n \"NewbornPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wang_newborn_2013,\n\ttitle = {Newborn screening of phenylketonuria using direct analysis in real time ({DART}) mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6713-8},\n\tdoi = {10.1007/s00216-013-6713-8},\n\tabstract = {Phenylketonuria (PKU) is commonly included in the newborn screening panel of most countries, with various techniques being used for quantification of l-phenylalanine (Phe). To diagnose PKU as early as possible in newborn screening, a rapid and simple method of analysis was developed. Using direct analysis in real time (DART) ionization coupled with triple-quadrupole tandem mass spectrometry (TQ-MS/MS) and with use of a 12 DIP-it tip scanner autosampler in positive ion mode, we analyzed dried blood spot (DBS) samples from PKU newborns. The concentration of Phe was determined using multiple reaction monitoring mode with the nondeuterated internal standard N,N-dimethylphenylalanine. The results of the analysis of DBS samples from newborns indicated that the DART-TQ-MS/MS method is fast, accurate, and reproducible. The results prove that this assay as a newborn screen for PKU can be performed in 18 s per sample for the quantification of Phe in DBS samples. DART-TQ-MS/MS analysis of the Phe concentration in DBS samples allowed us to screen newborns for PKU. This innovative protocol is rapid and can be effectively applied on a routine basis to analyze a large number of samples in PKU newborn screening and PKU patient monitoring.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Wang, Chunyan and Zhu, Hongbin and Cai, Zongwei and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tmonth = feb,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time (DART) triple-quadrupole tandem mass spectrometry, Dried blood spot, Phenylalanine, Phenylketonuria},\n\tpages = {1--6},\n}\n\n\n\n
\n
\n\n\n
\n Phenylketonuria (PKU) is commonly included in the newborn screening panel of most countries, with various techniques being used for quantification of l-phenylalanine (Phe). To diagnose PKU as early as possible in newborn screening, a rapid and simple method of analysis was developed. Using direct analysis in real time (DART) ionization coupled with triple-quadrupole tandem mass spectrometry (TQ-MS/MS) and with use of a 12 DIP-it tip scanner autosampler in positive ion mode, we analyzed dried blood spot (DBS) samples from PKU newborns. The concentration of Phe was determined using multiple reaction monitoring mode with the nondeuterated internal standard N,N-dimethylphenylalanine. The results of the analysis of DBS samples from newborns indicated that the DART-TQ-MS/MS method is fast, accurate, and reproducible. The results prove that this assay as a newborn screen for PKU can be performed in 18 s per sample for the quantification of Phe in DBS samples. DART-TQ-MS/MS analysis of the Phe concentration in DBS samples allowed us to screen newborns for PKU. This innovative protocol is rapid and can be effectively applied on a routine basis to analyze a large number of samples in PKU newborn screening and PKU patient monitoring.\n
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\n \n\n \n \n \n \n \n \n Capabilities and limitations of direct analysis in real time orbitrap mass spectrometry and tandem mass spectrometry for the analysis of synthetic and natural polymers.\n \n \n \n \n\n\n \n Bridoux, M. C.; and Machuron-Mandard, X.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(18): 2057–2070. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CapabilitiesPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bridoux_capabilities_2013,\n\ttitle = {Capabilities and limitations of direct analysis in real time orbitrap mass spectrometry and tandem mass spectrometry for the analysis of synthetic and natural polymers},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6664},\n\tdoi = {10.1002/rcm.6664},\n\tabstract = {RATIONALE\n\nDespite the widespread use of direct analysis in real time mass spectrometry (DART-MS), its capabilities in terms of accessible mass range and the types of polymers that can be analysed are not well known. The goal of this work was to evaluate the capabilities and limitations of this ionization technique combined with orbitrap mass spectrometry and tandem mass spectrometry, for the characterization (structural and polydispersity metrics) of various synthetic and natural polymers.\n\nMETHODS\n\nThe capabilities and limitations of DART-MS (and -MS2), using an orbitrap mass spectrometer, for polymer analysis were evaluated using various industrial synthetic polymers and biopolymers. Stainless steel mesh screens secured on a movable rail were used as the sampling surface, onto which 5 μL of various polymers dissolved in tetrahydrofuran were added. Assignment of spectral features and calculation of molecular weight and polydispersity metrics were performed using Polymerix™ software and the results were compared with those obtained by gel-permeation chromatography (GPC).\n\nRESULTS\n\nProtonated oligomers and ammonium adducts were instantaneously detected as the major ionisation products in positive ion mode. Only perfluoropolyethers (PFPEs) were ionised in negative mode and detected as [M]–. ions. Only singly charged molecular species were observed for all oligomers under study, allowing for a rapid determination of the molecular weight and polydispersity metrics of polymers. At elevated DART gas temperatures (400–500°C) the molecular weight and polydispersity metrics compared fairly well with those obtained by GPC, with polymers whose masses ranged from 200 g.mol–1 to 4000 g.mol–1.\n\nCONCLUSIONS\n\nDART-MS allowed the direct and rapid analysis (mass spectra and tandem mass spectra of all the polymers were acquired in seconds) based on the exact masses of their [M+H]+ and [M+NH4]+ ions (in the positive mode) or [M]–. ions (for polymers having a high sensitivity toward electron-capture ionisation such as PFPEs), as well as the exact masses of their product ions, for both synthetic and natural polymers under ambient conditions without any sample pre-treatment. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {18},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Bridoux, Maxime C. and Machuron-Mandard, Xavier},\n\tyear = {2013},\n\tpages = {2057--2070},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Despite the widespread use of direct analysis in real time mass spectrometry (DART-MS), its capabilities in terms of accessible mass range and the types of polymers that can be analysed are not well known. The goal of this work was to evaluate the capabilities and limitations of this ionization technique combined with orbitrap mass spectrometry and tandem mass spectrometry, for the characterization (structural and polydispersity metrics) of various synthetic and natural polymers. METHODS The capabilities and limitations of DART-MS (and -MS2), using an orbitrap mass spectrometer, for polymer analysis were evaluated using various industrial synthetic polymers and biopolymers. Stainless steel mesh screens secured on a movable rail were used as the sampling surface, onto which 5 μL of various polymers dissolved in tetrahydrofuran were added. Assignment of spectral features and calculation of molecular weight and polydispersity metrics were performed using Polymerix™ software and the results were compared with those obtained by gel-permeation chromatography (GPC). RESULTS Protonated oligomers and ammonium adducts were instantaneously detected as the major ionisation products in positive ion mode. Only perfluoropolyethers (PFPEs) were ionised in negative mode and detected as [M]–. ions. Only singly charged molecular species were observed for all oligomers under study, allowing for a rapid determination of the molecular weight and polydispersity metrics of polymers. At elevated DART gas temperatures (400–500°C) the molecular weight and polydispersity metrics compared fairly well with those obtained by GPC, with polymers whose masses ranged from 200 g.mol–1 to 4000 g.mol–1. CONCLUSIONS DART-MS allowed the direct and rapid analysis (mass spectra and tandem mass spectra of all the polymers were acquired in seconds) based on the exact masses of their [M+H]+ and [M+NH4]+ ions (in the positive mode) or [M]–. ions (for polymers having a high sensitivity toward electron-capture ionisation such as PFPEs), as well as the exact masses of their product ions, for both synthetic and natural polymers under ambient conditions without any sample pre-treatment. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) Analysis of Skin Metabolome Changes in the Ultraviolet B-Induced Mice.\n \n \n \n \n\n\n \n Park, H. M.; Kim, H. J.; Jang, Y. P.; and Kim, S. Y.\n\n\n \n\n\n\n Biomolecules and Therapeutics, 21(6): 470–475. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{park_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) {Analysis} of {Skin} {Metabolome} {Changes} in the {Ultraviolet} {B}-{Induced} {Mice}},\n\tvolume = {21},\n\turl = {http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3879919/},\n\tabstract = {Ultraviolet (UV) radiation is a major environmental factor that leads to acute and chronic reactions in the human skin. UV exposure induces wrinkle formation, DNA damage, and generation of reactive oxygen species (ROS). Most mechanistic studies of skin physiology and pharmacology related with UV-irradiated skin have focused on proteins and their related gene expression or single- targeted small molecules. The present study identified and analyzed the alteration of skin metabolites following UVB irradiation and topical retinyl palmitate (RP, 5\\%) treatment in hairless mice using direct analysis in real time (DART) time-of-flight mass spectrometry (TOF-MS) with multivariate analysis. Under the negative ion mode, the DART ion source successfully ionized various fatty acids including palmitoleic and linolenic acid. From DART-TOF-MS fingerprints measured in positive mode, the prominent dehydrated ion peak (m/z: 369, M+H-H2O) of cholesterol was characterized in all three groups. In positive mode, the discrimination among three groups was much clearer than that in negative mode by using multivariate analysis of orthogonal partial-least squares-discriminant analysis (OPLS-DA). DART-TOF-MS can ionize various small organic molecules in living tissues and is an efficient alternative analytical tool for acquiring full chemical fingerprints from living tissues without requiring sample preparation. DART-MS measurement of skin tissue with multivariate analysis proved to be a powerful method to discriminate between experimental groups and to find biomarkers for various experiment models in skin dermatological research.},\n\tnumber = {6},\n\tjournal = {Biomolecules and Therapeutics},\n\tauthor = {Park, Hye Min and Kim, Hye Jin and Jang, Young Pyo and Kim, Sun Yeou},\n\tyear = {2013},\n\tpages = {470--475},\n}\n\n\n\n
\n
\n\n\n
\n Ultraviolet (UV) radiation is a major environmental factor that leads to acute and chronic reactions in the human skin. UV exposure induces wrinkle formation, DNA damage, and generation of reactive oxygen species (ROS). Most mechanistic studies of skin physiology and pharmacology related with UV-irradiated skin have focused on proteins and their related gene expression or single- targeted small molecules. The present study identified and analyzed the alteration of skin metabolites following UVB irradiation and topical retinyl palmitate (RP, 5%) treatment in hairless mice using direct analysis in real time (DART) time-of-flight mass spectrometry (TOF-MS) with multivariate analysis. Under the negative ion mode, the DART ion source successfully ionized various fatty acids including palmitoleic and linolenic acid. From DART-TOF-MS fingerprints measured in positive mode, the prominent dehydrated ion peak (m/z: 369, M+H-H2O) of cholesterol was characterized in all three groups. In positive mode, the discrimination among three groups was much clearer than that in negative mode by using multivariate analysis of orthogonal partial-least squares-discriminant analysis (OPLS-DA). DART-TOF-MS can ionize various small organic molecules in living tissues and is an efficient alternative analytical tool for acquiring full chemical fingerprints from living tissues without requiring sample preparation. DART-MS measurement of skin tissue with multivariate analysis proved to be a powerful method to discriminate between experimental groups and to find biomarkers for various experiment models in skin dermatological research.\n
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\n \n\n \n \n \n \n \n \n Rapid monitoring of heat-accelerated reactions in vegetable oils using direct analysis in real time ionization coupled with high resolution mass spectrometry.\n \n \n \n \n\n\n \n Vaclavik, L.; Belkova, B.; Reblova, Z.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Food Chemistry, 138(4): 2312–2320. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{vaclavik_rapid_2013,\n\ttitle = {Rapid monitoring of heat-accelerated reactions in vegetable oils using direct analysis in real time ionization coupled with high resolution mass spectrometry},\n\tvolume = {138},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814612019085},\n\tdoi = {10.1016/j.foodchem.2012.12.019},\n\tabstract = {Transmission-mode direct analysis in real time ionization coupled with high resolution mass spectrometry (TM-DART–HRMS) was used to monitor chemical changes in various vegetable oils (olive, rapeseed, soybean and sunflower oil) during their thermally-induced oxidation. This novel instrumental approach enabled rapid fingerprinting of examined samples and detection of numerous sample components, such as triacylglycerols (TAGs), phytosterols, free fatty acids (FFA), and their respective oxidation products. Mass spectra obtained from DART were processed with the use of principal component analysis (PCA) in order to assess the compositional differences between heated and non-heated samples. Good correlation was observed between the normalized intensities of the pre-selected ion corresponding to mono-oxidized TAG and ‘classic’ criterion represented by the levels of TAG polymers determined by high performance-size exclusion chromatography with refractometric detection (HP-SEC–RID).},\n\tnumber = {4},\n\tjournal = {Food Chemistry},\n\tauthor = {Vaclavik, Lukas and Belkova, Beverly and Reblova, Zuzana and Riddellova, Katerina and Hajslova, Jana},\n\tmonth = jun,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Heating, Oxidation, Vegetable oils, mass spectrometry},\n\tpages = {2312--2320},\n}\n\n\n\n
\n
\n\n\n
\n Transmission-mode direct analysis in real time ionization coupled with high resolution mass spectrometry (TM-DART–HRMS) was used to monitor chemical changes in various vegetable oils (olive, rapeseed, soybean and sunflower oil) during their thermally-induced oxidation. This novel instrumental approach enabled rapid fingerprinting of examined samples and detection of numerous sample components, such as triacylglycerols (TAGs), phytosterols, free fatty acids (FFA), and their respective oxidation products. Mass spectra obtained from DART were processed with the use of principal component analysis (PCA) in order to assess the compositional differences between heated and non-heated samples. Good correlation was observed between the normalized intensities of the pre-selected ion corresponding to mono-oxidized TAG and ‘classic’ criterion represented by the levels of TAG polymers determined by high performance-size exclusion chromatography with refractometric detection (HP-SEC–RID).\n
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\n \n\n \n \n \n \n \n \n Transmission mode direct analysis in real time mass spectrometry for fast untargeted metabolic fingerprinting.\n \n \n \n \n\n\n \n Jones, C. M.; and Fernández, F. M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(12): 1311–1318. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"TransmissionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jones_transmission_2013,\n\ttitle = {Transmission mode direct analysis in real time mass spectrometry for fast untargeted metabolic fingerprinting},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6566},\n\tdoi = {10.1002/rcm.6566},\n\tabstract = {RATIONALE \n \nUntargeted metabolic fingerprinting is a discovery tool to better understand biochemical processes involved in detecting and characterizing disease states and responses to environmental stressors. Although current mass spectrometric (MS) methods are very powerful, there is a clear need for more rapid, high-throughput MS approaches for metabolomics studies. \n \nMETHODS \n \nA rapid metabolic fingerprinting method for human blood sera that utilizes a new transmission mode direct analysis in real time (TM-DART) sampling technique coupled with quadrupole time of flight mass spectrometry (QTOFMS) is presented. In this approach, the sample is deposited directly on a stainless steel mesh that is held in the ionization region by a custom-built module. As a result, the DART plasma gas stream interacts with the sample in a flow-through fashion, which maximizes the interaction between the sample and ionizing species and minimizes variance in sample positioning. \n \nRESULTS \n \nThe optimization of TM-DART parameters directly affecting metabolite desorption and ionization, such as sample position and ionizing gas desorption temperature, was critical in achieving high sensitivity and detecting a broad mass range of metabolites. Ramping the ionizing gas desorption temperature further enhanced analysis by adding a simple separation dimension to this ambient approach. In terms of reproducibility, TM-DART compared favorably with traditional probe mode (PM-) DART analysis, with coefficients of variation as low as 16\\%. The longer-lasting TM-DART signals enabled the acquisition of metabolite full scan and product ion accurate mass spectra in a single experiment, resulting in greater confidence in metabolite identification. \n \nCONCLUSIONS \n \nTM-DART MS proved to be a powerful analytical technique for rapid metabolome analysis of human blood sera. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {12},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Jones, Christina M. and Fernández, Facundo M.},\n\tmonth = jun,\n\tyear = {2013},\n\tpages = {1311--1318},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Untargeted metabolic fingerprinting is a discovery tool to better understand biochemical processes involved in detecting and characterizing disease states and responses to environmental stressors. Although current mass spectrometric (MS) methods are very powerful, there is a clear need for more rapid, high-throughput MS approaches for metabolomics studies. METHODS A rapid metabolic fingerprinting method for human blood sera that utilizes a new transmission mode direct analysis in real time (TM-DART) sampling technique coupled with quadrupole time of flight mass spectrometry (QTOFMS) is presented. In this approach, the sample is deposited directly on a stainless steel mesh that is held in the ionization region by a custom-built module. As a result, the DART plasma gas stream interacts with the sample in a flow-through fashion, which maximizes the interaction between the sample and ionizing species and minimizes variance in sample positioning. RESULTS The optimization of TM-DART parameters directly affecting metabolite desorption and ionization, such as sample position and ionizing gas desorption temperature, was critical in achieving high sensitivity and detecting a broad mass range of metabolites. Ramping the ionizing gas desorption temperature further enhanced analysis by adding a simple separation dimension to this ambient approach. In terms of reproducibility, TM-DART compared favorably with traditional probe mode (PM-) DART analysis, with coefficients of variation as low as 16%. The longer-lasting TM-DART signals enabled the acquisition of metabolite full scan and product ion accurate mass spectra in a single experiment, resulting in greater confidence in metabolite identification. CONCLUSIONS TM-DART MS proved to be a powerful analytical technique for rapid metabolome analysis of human blood sera. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n DART-MS as a Preliminary Screening Method for “Herbal Incense”: Chemical Analysis of Synthetic Cannabinoids.\n \n \n \n \n\n\n \n Lesiak, A. D.; Musah, R. A.; Domin, M. A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Journal of Forensic Sciences,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DART-MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{lesiak_dart-ms_2013,\n\ttitle = {{DART}-{MS} as a {Preliminary} {Screening} {Method} for “{Herbal} {Incense}”: {Chemical} {Analysis} of {Synthetic} {Cannabinoids}},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12354},\n\tdoi = {10.1111/1556-4029.12354},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) served as a method for rapid high-throughput screening of six commercially available “Spice” products, detecting various combinations of five synthetic cannabinoids. Direct analysis in real time is an ambient ionization process that, along with high mass accuracy time-of-flight (TOF)-MS to 0.0001 Da, was employed to establish the presence of cannabinoids. Mass spectra were acquired by simply suspending a small portion of sample between the ion source and the mass spectrometer inlet. The ability to test minute amounts of sample is a major advantage when very limited amounts of evidentiary material are available. In addition, reports are widespread regarding the testing backlogs that now exist because of the large influx of designer drugs. This method circumvents time-consuming sample extraction, derivatization, chromatographic, and other sample preparative steps required for analysis by more conventional mass spectrometric methods. Accordingly, the synthetic cannabinoids AM-2201, JWH-122, JWH-203, JWH-210, and RCS-4 were identified in commercially available herbal Spice products, singly and in tandem, at concentrations within the range of 4–141 mg/g of material. Direct analysis in real time mass spectrometry decreases the time necessary to triage analytical evidence, and therefore, it has the potential to contribute to backlog reduction and more timely criminal prosecution.},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Lesiak, Ashton D. and Musah, Rabi A. and Domin, Marek A. and Shepard, Jason R. E.},\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, cannabinoids, designer drugs, forensic science, mass spectrometry},\n\tpages = {n/a--n/a},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) served as a method for rapid high-throughput screening of six commercially available “Spice” products, detecting various combinations of five synthetic cannabinoids. Direct analysis in real time is an ambient ionization process that, along with high mass accuracy time-of-flight (TOF)-MS to 0.0001 Da, was employed to establish the presence of cannabinoids. Mass spectra were acquired by simply suspending a small portion of sample between the ion source and the mass spectrometer inlet. The ability to test minute amounts of sample is a major advantage when very limited amounts of evidentiary material are available. In addition, reports are widespread regarding the testing backlogs that now exist because of the large influx of designer drugs. This method circumvents time-consuming sample extraction, derivatization, chromatographic, and other sample preparative steps required for analysis by more conventional mass spectrometric methods. Accordingly, the synthetic cannabinoids AM-2201, JWH-122, JWH-203, JWH-210, and RCS-4 were identified in commercially available herbal Spice products, singly and in tandem, at concentrations within the range of 4–141 mg/g of material. Direct analysis in real time mass spectrometry decreases the time necessary to triage analytical evidence, and therefore, it has the potential to contribute to backlog reduction and more timely criminal prosecution.\n
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\n \n\n \n \n \n \n \n \n Optimizing Accu Time-of-Flight/Direct Analysis in Real Time for Explosive Residue Analysis.\n \n \n \n \n\n\n \n Swider, J. R.\n\n\n \n\n\n\n Journal of Forensic Sciences,n/a–n/a. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{swider_optimizing_2013,\n\ttitle = {Optimizing {Accu} {Time}-of-{Flight}/{Direct} {Analysis} in {Real} {Time} for {Explosive} {Residue} {Analysis}},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12276},\n\tdoi = {10.1111/1556-4029.12276},\n\tabstract = {The use of a direct analysis in real time (DART) mass spectrometer (MS) instrument was optimized for 22 compounds of organic explosive residues to provide a guide for DART-MS users in rapid screening of explosive compounds. Samples were introduced as neat solutions and sequential dilutions to determine optimal instrument conditions and lowest concentration detectable. Most compounds were optimized to 250°C in the negative ion mode, and several compounds benefited from the addition of a chloride dopant from methylene chloride (amino-dinitrotoluenes, RDX, EGDN, and PETN). Few compounds were more sensitive in the positive ion mode (TEGDN, DEGDN, HNS, and DMNB). Mixtures of compounds were detected using clean room wipes, directly from their surfaces and from subsequent extractions. Compounds from the mixtures were also successfully detected in soil and from swipes of spiked surfaces. The instrument showed merit in detection of pg/μL solutions for most of the compounds and among the substrates tested.},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Swider, Joseph R.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Explosives, Time-of-flight, forensic science, mass spectrometry, residue},\n\tpages = {n/a--n/a},\n}\n\n\n\n
\n
\n\n\n
\n The use of a direct analysis in real time (DART) mass spectrometer (MS) instrument was optimized for 22 compounds of organic explosive residues to provide a guide for DART-MS users in rapid screening of explosive compounds. Samples were introduced as neat solutions and sequential dilutions to determine optimal instrument conditions and lowest concentration detectable. Most compounds were optimized to 250°C in the negative ion mode, and several compounds benefited from the addition of a chloride dopant from methylene chloride (amino-dinitrotoluenes, RDX, EGDN, and PETN). Few compounds were more sensitive in the positive ion mode (TEGDN, DEGDN, HNS, and DMNB). Mixtures of compounds were detected using clean room wipes, directly from their surfaces and from subsequent extractions. Compounds from the mixtures were also successfully detected in soil and from swipes of spiked surfaces. The instrument showed merit in detection of pg/μL solutions for most of the compounds and among the substrates tested.\n
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\n \n\n \n \n \n \n \n \n A novel sampling method for identification of endogenous skin surface compounds by use of DART-MS and MALDI-MS.\n \n \n \n \n\n\n \n Mess, A.; Enthaler, B.; Fischer, M.; Rapp, C.; Pruns, J. K.; and Vietzke, J.\n\n\n \n\n\n\n Talanta, 103: 398–402. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{mess_novel_2013,\n\ttitle = {A novel sampling method for identification of endogenous skin surface compounds by use of {DART}-{MS} and {MALDI}-{MS}},\n\tvolume = {103},\n\tissn = {00399140},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0039914012009046},\n\tdoi = {10.1016/j.talanta.2012.10.073},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Talanta},\n\tauthor = {Mess, Aylin and Enthaler, Bernd and Fischer, Markus and Rapp, Claudius and Pruns, Julia K. and Vietzke, Jens-Peter},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {DART-MS, DIP-it samplers, MALDI-MS, Skin surface compounds},\n\tpages = {398--402},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Monitoring batch-to-batch reproducibility using direct analysis in real time mass spectrometry and multivariate analysis: A case study on precipitation.\n \n \n \n \n\n\n \n Zeng, S.; Chen, T.; Wang, L.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 76(0): 87–95. March 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MonitoringPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zeng_monitoring_2013,\n\ttitle = {Monitoring batch-to-batch reproducibility using direct analysis in real time mass spectrometry and multivariate analysis: {A} case study on precipitation},\n\tvolume = {76},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708512006863},\n\tdoi = {10.1016/j.jpba.2012.12.014},\n\tabstract = {Batch-to-batch variability of traditional Chinese medicine (TCM) has already heavily limited its industrial development. By utilizing direct analysis in real time mass spectrometry (DART-MS) and multivariate statistical analysis, the present study introduced a novel and rapid methodology for TCM manufacturing process monitoring. Danshen alkaline precipitation was employed as an example operating unit to demonstrate the effectiveness of this new technique. A total of 15 batches run under normal operating conditions were used to develop a reference principal component analysis model and then enabled the establishment of multivariate control charts. Hotteling T2 and DModX charts were applied to examine batch-to-batch reproducibility of 12 test batches. Artificial variations including starting material change and process fault were identified, which was in a good agreement with conventional analysis result. Further understanding of the deviating process behavior was achieved by investigating the contribution plot of abnormal batches. The results showed that DART-MS, in conjunction with multivariate analysis, provided valuable information on model process and gave us a new perspective for TCM manufacturing process monitoring.},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Zeng, Shanshan and Chen, Teng and Wang, Lu and Qu, Haibin},\n\tmonth = mar,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Manufacturing process monitoring, Multivariate control charts, Traditional Chinese medicine, mass spectrometry},\n\tpages = {87--95},\n}\n\n\n\n
\n
\n\n\n
\n Batch-to-batch variability of traditional Chinese medicine (TCM) has already heavily limited its industrial development. By utilizing direct analysis in real time mass spectrometry (DART-MS) and multivariate statistical analysis, the present study introduced a novel and rapid methodology for TCM manufacturing process monitoring. Danshen alkaline precipitation was employed as an example operating unit to demonstrate the effectiveness of this new technique. A total of 15 batches run under normal operating conditions were used to develop a reference principal component analysis model and then enabled the establishment of multivariate control charts. Hotteling T2 and DModX charts were applied to examine batch-to-batch reproducibility of 12 test batches. Artificial variations including starting material change and process fault were identified, which was in a good agreement with conventional analysis result. Further understanding of the deviating process behavior was achieved by investigating the contribution plot of abnormal batches. The results showed that DART-MS, in conjunction with multivariate analysis, provided valuable information on model process and gave us a new perspective for TCM manufacturing process monitoring.\n
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\n \n\n \n \n \n \n \n \n Evaluation of the Oxidation of Rice Husks with Sodium Hypochlorite Using Gas Chromatography-Mass Spectrometry and Direct Analysis in Real Time-Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, S.; Fan, X.; Zheng, A.; Lu, Y.; Wei, X.; Zhao, Y.; Wang, R.; Dou, Y.; Wang, Y.; Wang, C.; Zhang, F.; Shen, Y.; Li, C.; Liu, Z.; and Liu, D.\n\n\n \n\n\n\n Analytical Letters,null–null. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{wang_evaluation_2013,\n\ttitle = {Evaluation of the {Oxidation} of {Rice} {Husks} with {Sodium} {Hypochlorite} {Using} {Gas} {Chromatography}-{Mass} {Spectrometry} and {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry}},\n\tissn = {0003-2719},\n\turl = {http://dx.doi.org/10.1080/00032719.2013.831425},\n\tdoi = {10.1080/00032719.2013.831425},\n\tabstract = {Rice husk powder was oxidized in aqueous sodium hypochlorite solution under mild conditions with different reaction time. Fourier transform infrared spectroscopy, gas chromatography-mass spectrometry (GC-MS), and direct analysis in real time-mass spectrometry (DART-MS) were used to analyze the oxidation products. Results showed that oxidation was a feasible way to depolymerize the macromolecules in the biomass and convert hydroxyl groups to carboxyl groups. In total, 113 organic compounds in oxidation products with molecular mass less than 500 Da were identified using GC-MS. As an ambient ionization technique, DART-MS was applied to the determination of biomass derivatives and revealed mass distribution and molecular structure information for the rice husk oxidation products.},\n\turldate = {2013-09-19},\n\tjournal = {Analytical Letters},\n\tauthor = {Wang, Shou-Ze and Fan, Xing and Zheng, Ai-Li and Lu, Yao and Wei, Xian-Yong and Zhao, Yun-Peng and Wang, Rui-Yu and Dou, You-Quan and Wang, Ying-Hua and Wang, Chu-Fan and Zhang, Fan and Shen, Yong and Li, Chun-Yan and Liu, Zheng and Liu, De-Ying},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
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\n Rice husk powder was oxidized in aqueous sodium hypochlorite solution under mild conditions with different reaction time. Fourier transform infrared spectroscopy, gas chromatography-mass spectrometry (GC-MS), and direct analysis in real time-mass spectrometry (DART-MS) were used to analyze the oxidation products. Results showed that oxidation was a feasible way to depolymerize the macromolecules in the biomass and convert hydroxyl groups to carboxyl groups. In total, 113 organic compounds in oxidation products with molecular mass less than 500 Da were identified using GC-MS. As an ambient ionization technique, DART-MS was applied to the determination of biomass derivatives and revealed mass distribution and molecular structure information for the rice husk oxidation products.\n
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\n \n\n \n \n \n \n \n \n Direct Peel Monitoring of Xenobiotics in Fruit by Direct Analysis in Real-Time Coupled to a Linear Quadrupole Ion Trap-Orbitrap Mass Spectrometer.\n \n \n \n \n\n\n \n Farré, M.; Pico, Y.; and Barcelo, D.\n\n\n \n\n\n\n Analytical Chemistry. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{farre_direct_2013,\n\ttitle = {Direct {Peel} {Monitoring} of {Xenobiotics} in {Fruit} by {Direct} {Analysis} in {Real}-{Time} {Coupled} to a {Linear} {Quadrupole} {Ion} {Trap}-{Orbitrap} {Mass} {Spectrometer}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3026702},\n\tdoi = {10.1021/ac3026702},\n\tabstract = {Study of xenobiotics present in fruits peel by exposing it (without any pre-treatment) to direct analysis in real time coupled to a high resolution orbitrap mass spectrometer (DART-HRMS) is reported for the first time. Variables as DART gas heater temperature and pressure, source-to-MS distance and sample velocity are investigated. The analysis of one sample by DART-MS lasts ca. 1 min, and the benefits of both high-resolution and tandem mass spectrometry to elucidate non-target or unknown compounds are combined. Identification of post-harvest fungicides, antioxidants and sugars in fruit peel is performed in the positive ion mode. Possible elemental formula is suggested for marker components. The lowest imazalil concentration that could be detected by this system is 1 ng (equivalent to a concentration of ca. 300 µg kg-1), which is well-below the maximum residue limit. For oranges and apples, direct peel exposition demonstrated good interday precision (within 20 \\% for any concentration) and proper linearity (R2≥0.99), with a dynamic range from 1 to 2500 ng for apple. A comparison of the results obtained using the direct peel screening DART-based method is made with those obtained by DART analysis of solvent extracts, as well as those obtained analyzing these extracts by Ultra High Performance Liquid Chromatography Orbitrap Mass Spectrometry (UHPLC-Orbitrap). The results are in good agreement. Thus, the proposed method proves to be quantitatively accurate with indisputable identification specificity. As an independent method, the approach of direct scanning of peel is of high interest and of potential future within food analysis to guarantee safety, quality and authenticity. ?},\n\turldate = {2013-02-05},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Farré, Marinella and Pico, Yolanda and Barcelo, Damia},\n\tmonth = jan,\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Study of xenobiotics present in fruits peel by exposing it (without any pre-treatment) to direct analysis in real time coupled to a high resolution orbitrap mass spectrometer (DART-HRMS) is reported for the first time. Variables as DART gas heater temperature and pressure, source-to-MS distance and sample velocity are investigated. The analysis of one sample by DART-MS lasts ca. 1 min, and the benefits of both high-resolution and tandem mass spectrometry to elucidate non-target or unknown compounds are combined. Identification of post-harvest fungicides, antioxidants and sugars in fruit peel is performed in the positive ion mode. Possible elemental formula is suggested for marker components. The lowest imazalil concentration that could be detected by this system is 1 ng (equivalent to a concentration of ca. 300 µg kg-1), which is well-below the maximum residue limit. For oranges and apples, direct peel exposition demonstrated good interday precision (within 20 % for any concentration) and proper linearity (R2≥0.99), with a dynamic range from 1 to 2500 ng for apple. A comparison of the results obtained using the direct peel screening DART-based method is made with those obtained by DART analysis of solvent extracts, as well as those obtained analyzing these extracts by Ultra High Performance Liquid Chromatography Orbitrap Mass Spectrometry (UHPLC-Orbitrap). The results are in good agreement. Thus, the proposed method proves to be quantitatively accurate with indisputable identification specificity. As an independent method, the approach of direct scanning of peel is of high interest and of potential future within food analysis to guarantee safety, quality and authenticity. ?\n
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\n \n\n \n \n \n \n \n \n Extraction-free In situ Derivatisation of Timosaponin AIII Using Direct Analysis in Real Time TOF/MS.\n \n \n \n \n\n\n \n Kim, H. J.; Park, S. R.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Extraction-freePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{kim_extraction-free_2013,\n\ttitle = {Extraction-free {In} situ {Derivatisation} of {Timosaponin} {AIII} {Using} {Direct} {Analysis} in {Real} {Time} {TOF}/{MS}},\n\tissn = {1099-1565},\n\turl = {http://dx.doi.org/10.1002/pca.2488},\n\tdoi = {10.1002/pca.2488},\n\tabstract = {Introduction\n\nDirect analysis in real time (DART) TOF/MS has been used for mass information of various non-polar phytochemicals in raw material with no sample preparation. However, low ionisation efficiency for polar compounds including glycosides limits its extensive use in the field of phytochemical analysis.\n\nObjective\n\nIn order to develop a direct analysis method for polar glycosides using in situ derivatisation, which improves ionisation efficiency of hydrophilic glycosides.\n\nMethod\n\nAnemarrhena Rhizoma was used as a model plant targeting on Timosaponin AIII utilising a Dip-It module. Permethylation was applied to the powdered raw material with tetramethylammonium hydroxide in front of a DART ion source. Also, DART TOF/MS combined with permethylation was applied to timosaponin AIII standard solution to obtain the limit of detection (LOD).\n\nResults\n\nIn situ methylation of timosaponin AIII and Anemarrhena Rhizoma raw material were successfully used to ionise the glycoside. The LOD was found to be in the range of 2.4–4.8 ng for permethylated timosaponin AIII and this level is four times higher than the range of the underivatisation analysis. Direct analysis of permethylated timosaponin from Anemarrhena Rhizoma was also successfully performed.\n\nConclusion\n\nA simple and quick derivatisation method with tetramethylammonium hydroxide was developed for the direct identification of a hydrophilic saponin from the plant tissue. Better ionisation efficiency conferred by in situ permethylation enabled ionisation of whole molecules of timosaponin AIII from the plant tissue. This simple analytical method will provide a solution to reduce tedious sample preparation steps, not only for non-polar but also hydrophilic natural products directly from the tissue. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Park, Se Ri and Jang, Young Pyo},\n\tyear = {2013},\n\tkeywords = {Anemarrhena asphodeloides Bunge, DART TOF/MS, in situ derivatisation, permethylation, timosaponin AIII},\n\tpages = {n/a--n/a},\n}\n\n\n\n
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\n Introduction Direct analysis in real time (DART) TOF/MS has been used for mass information of various non-polar phytochemicals in raw material with no sample preparation. However, low ionisation efficiency for polar compounds including glycosides limits its extensive use in the field of phytochemical analysis. Objective In order to develop a direct analysis method for polar glycosides using in situ derivatisation, which improves ionisation efficiency of hydrophilic glycosides. Method Anemarrhena Rhizoma was used as a model plant targeting on Timosaponin AIII utilising a Dip-It module. Permethylation was applied to the powdered raw material with tetramethylammonium hydroxide in front of a DART ion source. Also, DART TOF/MS combined with permethylation was applied to timosaponin AIII standard solution to obtain the limit of detection (LOD). Results In situ methylation of timosaponin AIII and Anemarrhena Rhizoma raw material were successfully used to ionise the glycoside. The LOD was found to be in the range of 2.4–4.8 ng for permethylated timosaponin AIII and this level is four times higher than the range of the underivatisation analysis. Direct analysis of permethylated timosaponin from Anemarrhena Rhizoma was also successfully performed. Conclusion A simple and quick derivatisation method with tetramethylammonium hydroxide was developed for the direct identification of a hydrophilic saponin from the plant tissue. Better ionisation efficiency conferred by in situ permethylation enabled ionisation of whole molecules of timosaponin AIII from the plant tissue. This simple analytical method will provide a solution to reduce tedious sample preparation steps, not only for non-polar but also hydrophilic natural products directly from the tissue. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART®) Ionization as a Tool for Rapid Screening and Characterization of Black Cohosh (Actaea racemosa) by MS Fingerprints.\n \n \n \n\n\n \n Crawford, E; Goguen, R; LaPointe, J; and Musselman, B\n\n\n \n\n\n\n Planta Med, 79(05): P117. 2013.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{crawford_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}®) {Ionization} as a {Tool} for {Rapid} {Screening} and {Characterization} of {Black} {Cohosh} ({Actaea} racemosa) by {MS} {Fingerprints}},\n\tvolume = {79},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0033-1336559},\n\tabstract = {Characterization of herbal dietary supplements has increasingly become a focus for regulatory bodies. In this study we have used a Direct Analysis in Real Time (DART) ambient ionization mass spectrometry method to characterize the major ionizable components in Black Cohosh (Actaea racemosa). Analysis of both the raw natural product and several commercial products labeled as containing Black Cohosh yielded wide variation in the mass spectral composition across the products. In order to permit more uniform sampling we choose to investigate quick extraction protocols with 0.1N acid, 0.1N base, and a published method for Black Cohosh sample prep [1]. The DART-MS experiment involves employing a thermal profile method for each extract using different gas temperatures (150 °C, 250 °C, and 350 °C) for desorption ionization and positive/negative ion mass spectrometric detection. Ferulic acid and caffeic acid desorption were optimized at 250 °C in the negative ion mode. Carbohydrates were detected at 150 °C and 250 °C in the positive ion spectra from the raw plant materials; however, they were not detected in all commercial products. The 250 °C positive and negative ion spectra proved to yield a large number of ions and these spectra were designated as the MS Fingerprint data. These MS Fingerprints were subsequently subjected to analysis using a statistical spectral matching program for automated chemometric analysis of the samples for differentiation.},\n\tlanguage = {EN},\n\tnumber = {05},\n\tjournal = {Planta Med},\n\tauthor = {Crawford, E and Goguen, R and LaPointe, J and Musselman, B},\n\tyear = {2013},\n\tpages = {P117},\n}\n\n\n\n
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\n Characterization of herbal dietary supplements has increasingly become a focus for regulatory bodies. In this study we have used a Direct Analysis in Real Time (DART) ambient ionization mass spectrometry method to characterize the major ionizable components in Black Cohosh (Actaea racemosa). Analysis of both the raw natural product and several commercial products labeled as containing Black Cohosh yielded wide variation in the mass spectral composition across the products. In order to permit more uniform sampling we choose to investigate quick extraction protocols with 0.1N acid, 0.1N base, and a published method for Black Cohosh sample prep [1]. The DART-MS experiment involves employing a thermal profile method for each extract using different gas temperatures (150 °C, 250 °C, and 350 °C) for desorption ionization and positive/negative ion mass spectrometric detection. Ferulic acid and caffeic acid desorption were optimized at 250 °C in the negative ion mode. Carbohydrates were detected at 150 °C and 250 °C in the positive ion spectra from the raw plant materials; however, they were not detected in all commercial products. The 250 °C positive and negative ion spectra proved to yield a large number of ions and these spectra were designated as the MS Fingerprint data. These MS Fingerprints were subsequently subjected to analysis using a statistical spectral matching program for automated chemometric analysis of the samples for differentiation.\n
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\n \n\n \n \n \n \n \n \n The Classification of Inkjet Inks Using AccuTOF™DART™ (Direct Analysis in Real Time) Mass Spectrometry—A Preliminary Study.\n \n \n \n \n\n\n \n Houlgrave, S.; LaPorte, G. M.; Stephens, J. C.; and Wilson, J. L.\n\n\n \n\n\n\n Journal of Forensic Sciences,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{houlgrave_classification_2013,\n\ttitle = {The {Classification} of {Inkjet} {Inks} {Using} {AccuTOF}™{DART}™ ({Direct} {Analysis} in {Real} {Time}) {Mass} {Spectrometry}—{A} {Preliminary} {Study}},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12048},\n\tdoi = {10.1111/1556-4029.12048},\n\tabstract = {A novel approach for the analysis of inkjet inks is being reported. A time-of-flight mass spectrometer, coupled with a Direct Analysis in Real Time (DART™) ion source (AccuTOF™ DART™), was used to determine if inkjet inks from various manufacturers and models of printers could be reliably differentiated, characterized, and identified. A total of 217 ink standards were analyzed. As inkjet printing often involves the use of multiple colors (e.g., cyan, magenta, yellow, and black) to form an image or text, two different approaches to creating a library of standards and sampling methods were evaluated for implementation in a standard operating procedure. This research will show that a microscopic examination of the region of interest is requisite to identify what colors were utilized during the printing process, prior to comparing with known standards. Finally, blind testing was administered with 10 unknown samples to assess the validity and accuracy of the methodology.},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Houlgrave, Stephanie and LaPorte, Gerald M. and Stephens, Joseph C. and Wilson, Justin L.},\n\tyear = {2013},\n\tkeywords = {DART™, Direct analysis in real time, forensic document examination, forensic science, ink analysis, inkjet inks, mass spectrometry, printers, questioned documents},\n\tpages = {n/a--n/a},\n}\n\n\n\n
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\n A novel approach for the analysis of inkjet inks is being reported. A time-of-flight mass spectrometer, coupled with a Direct Analysis in Real Time (DART™) ion source (AccuTOF™ DART™), was used to determine if inkjet inks from various manufacturers and models of printers could be reliably differentiated, characterized, and identified. A total of 217 ink standards were analyzed. As inkjet printing often involves the use of multiple colors (e.g., cyan, magenta, yellow, and black) to form an image or text, two different approaches to creating a library of standards and sampling methods were evaluated for implementation in a standard operating procedure. This research will show that a microscopic examination of the region of interest is requisite to identify what colors were utilized during the printing process, prior to comparing with known standards. Finally, blind testing was administered with 10 unknown samples to assess the validity and accuracy of the methodology.\n
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\n \n\n \n \n \n \n \n \n Rapid determination of 5-hydroxymethylfurfural by DART ionization with time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Rajchl, A.; Drgová, L.; Grégrová, A.; Čížková, H.; Ševčík, R.; and Voldřich, M.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–9. March 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{rajchl_rapid_2013,\n\ttitle = {Rapid determination of 5-hydroxymethylfurfural by {DART} ionization with time-of-flight mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6875-4},\n\tdoi = {10.1007/s00216-013-6875-4},\n\tabstract = {DART (direct analysis in real time), a novel technique with wide potential for rapid screening analysis, coupled with high-resolution time-of-flight mass spectrometry (TOF-MS) has been used for quantitative analysis of 5-hydroxymethylfurfural (5-HMF), a typical temperature marker of food. The DART/TOF-MS method was optimised and validated. Quantification of 5-HMF was achieved by use of a stable isotope-labelled 5-HMF standard prepared from glucose. Formation of 5-HMF from saccharides, a potential source of overestimation of results, was evaluated. Forty-four real samples (honey and caramelised condensed sweetened milk) and 50 model samples of heated honey were analysed. The possibility of using DART for analysis of heated samples of honey was confirmed. HPLC and DART/TOF-MS methods for determination of 5-HMF were compared. The correlation equation between these methods was DART = 1.0287HPLC + 0.21340, R 2 = 0.9557. The DART/TOF-MS method has been proved to enable efficient and rapid determination of 5-HMF in a variety of food matrices, for example honey and caramel.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Rajchl, Aleš and Drgová, Ladislava and Grégrová, Adéla and Čížková, Helena and Ševčík, Rudolf and Voldřich, Michal},\n\tmonth = mar,\n\tyear = {2013},\n\tkeywords = {5-HMF, Caramel, DART, HPLC, Honey, TOF-MS},\n\tpages = {1--9},\n}\n\n\n\n
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\n DART (direct analysis in real time), a novel technique with wide potential for rapid screening analysis, coupled with high-resolution time-of-flight mass spectrometry (TOF-MS) has been used for quantitative analysis of 5-hydroxymethylfurfural (5-HMF), a typical temperature marker of food. The DART/TOF-MS method was optimised and validated. Quantification of 5-HMF was achieved by use of a stable isotope-labelled 5-HMF standard prepared from glucose. Formation of 5-HMF from saccharides, a potential source of overestimation of results, was evaluated. Forty-four real samples (honey and caramelised condensed sweetened milk) and 50 model samples of heated honey were analysed. The possibility of using DART for analysis of heated samples of honey was confirmed. HPLC and DART/TOF-MS methods for determination of 5-HMF were compared. The correlation equation between these methods was DART = 1.0287HPLC + 0.21340, R 2 = 0.9557. The DART/TOF-MS method has been proved to enable efficient and rapid determination of 5-HMF in a variety of food matrices, for example honey and caramel.\n
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\n \n\n \n \n \n \n \n \n Analysis of writing inks on paper using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Jones, R. W.; and McClelland, J. F.\n\n\n \n\n\n\n Forensic Science International, 231(1–3): 73–81. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{jones_analysis_2013,\n\ttitle = {Analysis of writing inks on paper using direct analysis in real time mass spectrometry},\n\tvolume = {231},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813002399},\n\tdoi = {10.1016/j.forsciint.2013.04.016},\n\tabstract = {Abstract \nInk analysis is central to questioned document examination. We applied direct analysis in real time mass spectrometry (DART MS) to ballpoint, gel, and fluid writing ink analysis. DART MS acquires the mass spectrum of an ink while it is still on a document without altering the appearance of the document. Spectra were acquired from ink on a variety of papers, and the spectrum of the blank paper could be subtracted out to produce a cleanly isolated ink spectrum in most cases. Only certain heavy or heavily processed papers interfered. The time since an ink is written on paper has a large effect on its spectrum. DART spectra change radically during the first few months after an ink is written as the more volatile components evaporate, but the spectra stabilize after that. A library-search study involving 166 well-aged inks assessed the ability to identify inks from their DART spectra. The aggregate success rate was 92\\%.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Jones, Roger W. and McClelland, John F.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Ink, Ink identification, forensic science, mass spectrometry, questioned documents},\n\tpages = {73--81},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Abstract Ink analysis is central to questioned document examination. We applied direct analysis in real time mass spectrometry (DART MS) to ballpoint, gel, and fluid writing ink analysis. DART MS acquires the mass spectrum of an ink while it is still on a document without altering the appearance of the document. Spectra were acquired from ink on a variety of papers, and the spectrum of the blank paper could be subtracted out to produce a cleanly isolated ink spectrum in most cases. Only certain heavy or heavily processed papers interfered. The time since an ink is written on paper has a large effect on its spectrum. DART spectra change radically during the first few months after an ink is written as the more volatile components evaporate, but the spectra stabilize after that. A library-search study involving 166 well-aged inks assessed the ability to identify inks from their DART spectra. The aggregate success rate was 92%.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) of Ionic Liquids.\n \n \n \n \n\n\n \n Mazzotta, M.; Pace, R.; Wallgren, B.; Morton, S.; Miller, K.; and Smith, D.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry,1–4. August 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{mazzotta_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) of {Ionic} {Liquids}},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-013-0696-8},\n\tdoi = {10.1007/s13361-013-0696-8},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) was used to analyze ionic liquids (ILs) containing either imidazolium or phosphonium cations combined with different types of inorganic and organic anions. Ionic liquids were directly inserted into the ionization source using a glass probe without dissolution into organic solvents. Mass spectra of the ILs were collected in both positive and negative mode with a linear ion-trap instrument. The intact cation of the compound was typically the dominant peak in positive mass spectra and cluster ion formation was present. Some individual anions were not readily observed in the negative mass spectra (based on the type of anion); however, the mass difference of adjacent cluster ions equal the mass of a complete IL and the anion mass could be verified by subtracting the known cation mass. The degree and intensity of the cluster ion formations was found to be dependent on the nature of the specific ILs as well as the DART temperature gas stream.},\n\tlanguage = {English},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Mazzotta, MichaelG. and Pace, RobertB. and Wallgren, BrandyN. and Morton, SamuelA. and Miller, KevinM. and Smith, DarrinL.},\n\tmonth = aug,\n\tyear = {2013},\n\tkeywords = {Ambient MS, Direct analysis in real time (DART), Ionic liquids, Qualitative MS},\n\tpages = {1--4},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Direct analysis in real time mass spectrometry (DART-MS) was used to analyze ionic liquids (ILs) containing either imidazolium or phosphonium cations combined with different types of inorganic and organic anions. Ionic liquids were directly inserted into the ionization source using a glass probe without dissolution into organic solvents. Mass spectra of the ILs were collected in both positive and negative mode with a linear ion-trap instrument. The intact cation of the compound was typically the dominant peak in positive mass spectra and cluster ion formation was present. Some individual anions were not readily observed in the negative mass spectra (based on the type of anion); however, the mass difference of adjacent cluster ions equal the mass of a complete IL and the anion mass could be verified by subtracting the known cation mass. The degree and intensity of the cluster ion formations was found to be dependent on the nature of the specific ILs as well as the DART temperature gas stream.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time-mass spectrometry (DART-MS) for rapid qualitative screening of toxic glycols in glycerin-containing products.\n \n \n \n \n\n\n \n Self, R. L.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{self_direct_2013,\n\ttitle = {Direct analysis in real time-mass spectrometry ({DART}-{MS}) for rapid qualitative screening of toxic glycols in glycerin-containing products},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708513001052},\n\tdoi = {10.1016/j.jpba.2013.02.037},\n\tabstract = {In 2007, the United States Food and Drug Administration released guidance recommending testing of glycerin used in regulated consumer products, such as cough syrup preparations, toothpaste, and other pharmaceutical and food products, for the toxic compounds ethylene glycol and diethylene glycol. Regulatory laboratories routinely test glycerin, and products containing glycerin or related compounds for these toxic glycols, using an official gas chromatographic method, to ensure the safety of these products. The current work describes a companion technique to compliment this GC-FID method utilizing Orbitrap mass spectrometry with direct analysis in real time ionization to rapidly screen these samples qualitatively, with results in as little as five seconds, with no sample preparation required. This allows the more time and resource intensive method to be reserved for those rare cases when these compounds are detected, potentially greatly improving laboratory efficiency. The technique was evaluated for qualitative sensitivity and repeatability, and compared against the GC-FID method. The method appears to perform well against these metrics.},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Self, Randy L.},\n\tyear = {2013},\n\tkeywords = {Diethylene glycol, Direct analysis in real time, Ethylene glycol, Glycerin, Orbitrap},\n}\n\n\n\n
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\n\n\n
\n In 2007, the United States Food and Drug Administration released guidance recommending testing of glycerin used in regulated consumer products, such as cough syrup preparations, toothpaste, and other pharmaceutical and food products, for the toxic compounds ethylene glycol and diethylene glycol. Regulatory laboratories routinely test glycerin, and products containing glycerin or related compounds for these toxic glycols, using an official gas chromatographic method, to ensure the safety of these products. The current work describes a companion technique to compliment this GC-FID method utilizing Orbitrap mass spectrometry with direct analysis in real time ionization to rapidly screen these samples qualitatively, with results in as little as five seconds, with no sample preparation required. This allows the more time and resource intensive method to be reserved for those rare cases when these compounds are detected, potentially greatly improving laboratory efficiency. The technique was evaluated for qualitative sensitivity and repeatability, and compared against the GC-FID method. The method appears to perform well against these metrics.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) of \"Bath Salt\" Cathinone Drug Mixtures.\n \n \n \n \n\n\n \n Lesiak, A.; Musah, R.; Cody, R. B; Domin, M. A.; Dane, J.; and Shepard, J. R. E.\n\n\n \n\n\n\n Analyst. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) of "{Bath} {Salt}" {Cathinone} {Drug} {Mixtures}},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00360D},\n\tdoi = {10.1039/C3AN00360D},\n\tabstract = {Rapid and versatile direct analysis in real time mass spectrometry (DART-MS) methods were developed for detection and characterization of synthetic cathinone designer drugs, also known as "bath salts". The speed and efficiency associated with DART-MS testing of such highly unpredictable samples demonstrate the technique as an attractive alternative to conventional GC-MS and LC-MS methods. A series of isobaric and closely related synthetic cathinones, alone and in mixtures, were differentiated using high mass accuracy and in-source collision induced dissociation (CID). Crime laboratories have observed a dramatic rise in the use of these substances, which has caused sample testing backlogs, particularly since the myriad of closely structurally related compounds are challenging to efficiently differentiate. This challenge is compounded by the perpetual emergence of new structural variants as soon as older generation derivatives become scheduled. Because of the numerous chemical substances that fall into these categories, along with the varying composition and complexity of mixtures of these drugs, DART-MS CID has the potential to dramatically streamline sample analysis, minimize the number of sample preparation steps, and enable rapid characterization of emerging structural analogs.},\n\tjournal = {Analyst},\n\tauthor = {Lesiak, Ashton and Musah, Rabi and Cody, Robert B and Domin, Marek Adam and Dane, John and Shepard, Jason R. E.},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Rapid and versatile direct analysis in real time mass spectrometry (DART-MS) methods were developed for detection and characterization of synthetic cathinone designer drugs, also known as \"bath salts\". The speed and efficiency associated with DART-MS testing of such highly unpredictable samples demonstrate the technique as an attractive alternative to conventional GC-MS and LC-MS methods. A series of isobaric and closely related synthetic cathinones, alone and in mixtures, were differentiated using high mass accuracy and in-source collision induced dissociation (CID). Crime laboratories have observed a dramatic rise in the use of these substances, which has caused sample testing backlogs, particularly since the myriad of closely structurally related compounds are challenging to efficiently differentiate. This challenge is compounded by the perpetual emergence of new structural variants as soon as older generation derivatives become scheduled. Because of the numerous chemical substances that fall into these categories, along with the varying composition and complexity of mixtures of these drugs, DART-MS CID has the potential to dramatically streamline sample analysis, minimize the number of sample preparation steps, and enable rapid characterization of emerging structural analogs.\n
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\n \n\n \n \n \n \n \n \n Semi-quantitative analysis of contaminants in soils by direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(2): 305–318. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Semi-quantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_semi-quantitative_2013,\n\ttitle = {Semi-quantitative analysis of contaminants in soils by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6450},\n\tdoi = {10.1002/rcm.6450},\n\tabstract = {RATIONALE \n \nCleaning up contaminated sites is a goal of the U.S. Environmental Protection Agency (EPA). A simple, high-throughput, inexpensive, selective, and specific screening method for semi-volatile, polar organic contaminants would provide high spatial resolution for monitoring remediation and for documenting successful clean ups in numerous Superfund, Brownfield, and other contaminated sites. \n \nMETHODS \n \nAn autosampler/Direct Analysis in Real Time (DART)/time-of-flight (TOF) mass spectrometer, with or without a Vapur® evacuated flange, was used to analyze 0.01–33\\% levels of aspirin, diphenylamine, and pentachlorophenol mixed with soil. Triplicate water-soaked swabs were manually rotated in wet analyte:soil mixtures, air dried for 2–3 h, and analyzed directly. To minimize carryover, insensitive and sensitive instrumental conditions were used to analyze high and low analyte levels, respectively. Simulated two-dimensional (2D) mapping and remediation threshold experiments were performed to test the utility of DART-TOFMS for possible sampling strategies. \n \nRESULTS \n \nAnalyte levels differing by factors of 10 were discernible. Data were acquired for 30 swabs in 0.9 min and 3 min with helium stream temperatures of 150 °C and 250 °C and swab transport velocities of 1.45 cm/s and 0.5 cm/s, respectively. With the Vapur flange attached, the average relative standard deviations (RSDs) (n = 3) were between 16\\% and 40\\% for different analytes and analyte levels. Carryover was greatly reduced by removing the Vapur flange, but higher RSDs and occasional plugging of the cone orifice were observed. \n \nCONCLUSIONS \n \nA rapid, simple, rugged, and relatively inexpensive, but selective and sufficiently sensitive, semi-quantitative screening method for semi-volatile, polar, organic compounds in soil was demonstrated. The technique would provide the high spatial resolution necessary to find localized areas of high contamination within contaminated sites that might pose a risk to human and ecological health. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {2},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H.},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {Soils},\n\tpages = {305--318},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Cleaning up contaminated sites is a goal of the U.S. Environmental Protection Agency (EPA). A simple, high-throughput, inexpensive, selective, and specific screening method for semi-volatile, polar organic contaminants would provide high spatial resolution for monitoring remediation and for documenting successful clean ups in numerous Superfund, Brownfield, and other contaminated sites. METHODS An autosampler/Direct Analysis in Real Time (DART)/time-of-flight (TOF) mass spectrometer, with or without a Vapur® evacuated flange, was used to analyze 0.01–33% levels of aspirin, diphenylamine, and pentachlorophenol mixed with soil. Triplicate water-soaked swabs were manually rotated in wet analyte:soil mixtures, air dried for 2–3 h, and analyzed directly. To minimize carryover, insensitive and sensitive instrumental conditions were used to analyze high and low analyte levels, respectively. Simulated two-dimensional (2D) mapping and remediation threshold experiments were performed to test the utility of DART-TOFMS for possible sampling strategies. RESULTS Analyte levels differing by factors of 10 were discernible. Data were acquired for 30 swabs in 0.9 min and 3 min with helium stream temperatures of 150 °C and 250 °C and swab transport velocities of 1.45 cm/s and 0.5 cm/s, respectively. With the Vapur flange attached, the average relative standard deviations (RSDs) (n = 3) were between 16% and 40% for different analytes and analyte levels. Carryover was greatly reduced by removing the Vapur flange, but higher RSDs and occasional plugging of the cone orifice were observed. CONCLUSIONS A rapid, simple, rugged, and relatively inexpensive, but selective and sufficiently sensitive, semi-quantitative screening method for semi-volatile, polar, organic compounds in soil was demonstrated. The technique would provide the high spatial resolution necessary to find localized areas of high contamination within contaminated sites that might pose a risk to human and ecological health. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Authentication of milk and milk-based foods by direct analysis in real time ionization–high resolution mass spectrometry (DART–HRMS) technique: a critical assessment.\n \n \n \n \n\n\n \n Hrbek, V.; Vaclavik, L.; Elich, O.; and Hajslova, J.\n\n\n \n\n\n\n Food Control, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AuthenticationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{hrbek_authentication_2013,\n\ttitle = {Authentication of milk and milk-based foods by direct analysis in real time ionization–high resolution mass spectrometry ({DART}–{HRMS}) technique: a critical assessment},\n\tissn = {0956-7135},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0956713513003952},\n\tdoi = {10.1016/j.foodcont.2013.08.003},\n\tabstract = {Abstract\nThe potential of direct analysis in real time (DART) ambient ionization technique coupled with high resolution mass spectrometry (HRMS) in authentication of milk and dairy products was critically assessed. In particular case, DART–HRMS was used for several scenarios: (i) discrimination among milks obtained from various farm animal species (cow, goat, and sheep), (ii) discrimination between cows´ milk produced in conventional and organic farming, and, (iii) detection of vegetable oil added to a milk-based product (soft cheese). For this purpose, a rapid profiling procedure based on examination of milk/cheese toluene extracts, was implemented. The obtained triacylglycerol (TAG) profiles (mass spectra) were processed with principal component analysis (PCA) and linear discriminant analysis (LDA). Based on LDA model, reliable differentiation of cows´ milk samples and goats’/sheep’s milk was possible. The DART–HRMS procedure also allowed distinguishing milk mixtures prepared at adulteration level of 50\\% (v/v). The capability to recognize milk from conventional and organic farming was rather low, poor classification rates of the LDA model were obtained. On the other hand, reliable detection of the presence of vegetable oils (rapeseed, sunflower, and soybean), added to soft cheese at amount as low as 1\\% (w/w), was possible. Additionally, the quality of added oil in terms of degree of its oxidation could be documented.},\n\tnumber = {0},\n\tjournal = {Food Control},\n\tauthor = {Hrbek, Vojtech and Vaclavik, Lukas and Elich, Ondrej and Hajslova, Jana},\n\tyear = {2013},\n\tkeywords = {Authenticity, Dairy products, Direct analysis in real time, Milk, mass spectrometry},\n}\n\n\n\n
\n
\n\n\n
\n Abstract The potential of direct analysis in real time (DART) ambient ionization technique coupled with high resolution mass spectrometry (HRMS) in authentication of milk and dairy products was critically assessed. In particular case, DART–HRMS was used for several scenarios: (i) discrimination among milks obtained from various farm animal species (cow, goat, and sheep), (ii) discrimination between cows´ milk produced in conventional and organic farming, and, (iii) detection of vegetable oil added to a milk-based product (soft cheese). For this purpose, a rapid profiling procedure based on examination of milk/cheese toluene extracts, was implemented. The obtained triacylglycerol (TAG) profiles (mass spectra) were processed with principal component analysis (PCA) and linear discriminant analysis (LDA). Based on LDA model, reliable differentiation of cows´ milk samples and goats’/sheep’s milk was possible. The DART–HRMS procedure also allowed distinguishing milk mixtures prepared at adulteration level of 50% (v/v). The capability to recognize milk from conventional and organic farming was rather low, poor classification rates of the LDA model were obtained. On the other hand, reliable detection of the presence of vegetable oils (rapeseed, sunflower, and soybean), added to soft cheese at amount as low as 1% (w/w), was possible. Additionally, the quality of added oil in terms of degree of its oxidation could be documented.\n
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\n \n\n \n \n \n \n \n \n Application of direct analysis in real time ionization–mass spectrometry (DART–MS) in chicken meat metabolomics aiming at the retrospective control of feed fraud.\n \n \n \n \n\n\n \n Cajka, T.; Danhelova, H.; Zachariasova, M.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Metabolomics,1–13. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cajka_application_2013,\n\ttitle = {Application of direct analysis in real time ionization–mass spectrometry ({DART}–{MS}) in chicken meat metabolomics aiming at the retrospective control of feed fraud},\n\tissn = {1573-3882},\n\turl = {http://dx.doi.org/10.1007/s11306-013-0495-z},\n\tdoi = {10.1007/s11306-013-0495-z},\n\tabstract = {Metabolomic fingerprinting enabled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium–high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a tool for differentiation between chickens fed by feed that contained 5–8 \\% (w/w) of chicken bone meal (a banned component) and those representing a reference group, i.e. grown otherwise under the same conditions. In the first step, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from chicken muscle and feed on which experimental animals were grown. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. In the next step, metabolomic fingerprints of a large set of chicken muscle and feed extracts were acquired. In the final phase, the experimental data were statistically evaluated using principal component analysis and orthogonal partial least squares discriminant analysis. In general, differentiation of chicken muscle according to diet (feed with and without the addition of chicken bone meal) was feasible. Additional experiments conducted after 6 months confirmed applicability of this approach. Correct classification was obtained based on the assessment of polar as well as non-polar extracts fingerprints. However, the analysis of non-polar extracts showed that the pattern of triacylglycerols is more prone to seasonal variability and/or type of raw materials used during feed preparation which obscures the bone meal impact to some extent.},\n\tlanguage = {English},\n\tjournal = {Metabolomics},\n\tauthor = {Cajka, Tomas and Danhelova, Hana and Zachariasova, Milena and Riddellova, Katerina and Hajslova, Jana},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {Authenticity, Chicken, Direct analysis in real time (DART), Feed, Metabolomic fingerprinting, mass spectrometry},\n\tpages = {1--13},\n}\n\n\n\n
\n
\n\n\n
\n Metabolomic fingerprinting enabled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium–high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a tool for differentiation between chickens fed by feed that contained 5–8 % (w/w) of chicken bone meal (a banned component) and those representing a reference group, i.e. grown otherwise under the same conditions. In the first step, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from chicken muscle and feed on which experimental animals were grown. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. In the next step, metabolomic fingerprints of a large set of chicken muscle and feed extracts were acquired. In the final phase, the experimental data were statistically evaluated using principal component analysis and orthogonal partial least squares discriminant analysis. In general, differentiation of chicken muscle according to diet (feed with and without the addition of chicken bone meal) was feasible. Additional experiments conducted after 6 months confirmed applicability of this approach. Correct classification was obtained based on the assessment of polar as well as non-polar extracts fingerprints. However, the analysis of non-polar extracts showed that the pattern of triacylglycerols is more prone to seasonal variability and/or type of raw materials used during feed preparation which obscures the bone meal impact to some extent.\n
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\n \n\n \n \n \n \n \n \n DART-MS for rapid, preliminary screening of urine for DMAA.\n \n \n \n \n\n\n \n Lesiak, A. D.; Adams, K. J.; Domin, M. A.; Henck, C.; and Shepard, J. R. E.\n\n\n \n\n\n\n Drug Testing and Analysis,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DART-MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{lesiak_dart-ms_2013,\n\ttitle = {{DART}-{MS} for rapid, preliminary screening of urine for {DMAA}},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.1540},\n\tdoi = {10.1002/dta.1540},\n\tabstract = {Dimethylamylamine (DMAA) is a sympathomimetic amine found in weight-loss/workout supplements or used as an appetite suppressant. DMAA is a stimulant that is banned by the World Anti-Doping Agency (WADA). Adverse health effects as well as fatalities have been implicated with its use. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization method that was employed to rapidly identify the presence of DMAA in various samples without any extraction or preparations whatsoever. DMAA was first identified in supplements, sampled directly in their solid forms. Furthermore, DMAA was detected directly in urine over 48 h as a means of indicating recent abuse of the substance. DART-MS analysis is instantaneous, and coupled with the high mass accuracy associated with the time-of-flight mass analyzer, results in unequivocal identification of the presence of DMAA. These features demonstrate DART-MS as an attractive potential alternative screening method for the presence of drugs and medications or for toxicological investigations. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Lesiak, Ashton D. and Adams, Kendra J. and Domin, Marek A. and Henck, Colin and Shepard, Jason R. E.},\n\tyear = {2013},\n\tkeywords = {DART-MS, DMAA, Direct analysis in real time mass spectrometry, collision induced dissociation, natural supplements, urine testing},\n\tpages = {n/a--n/a},\n}\n\n\n\n
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\n Dimethylamylamine (DMAA) is a sympathomimetic amine found in weight-loss/workout supplements or used as an appetite suppressant. DMAA is a stimulant that is banned by the World Anti-Doping Agency (WADA). Adverse health effects as well as fatalities have been implicated with its use. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization method that was employed to rapidly identify the presence of DMAA in various samples without any extraction or preparations whatsoever. DMAA was first identified in supplements, sampled directly in their solid forms. Furthermore, DMAA was detected directly in urine over 48 h as a means of indicating recent abuse of the substance. DART-MS analysis is instantaneous, and coupled with the high mass accuracy associated with the time-of-flight mass analyzer, results in unequivocal identification of the presence of DMAA. These features demonstrate DART-MS as an attractive potential alternative screening method for the presence of drugs and medications or for toxicological investigations. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Soft Ionization of Saturated Hydrocarbons, Alcohols and Nonpolar Compounds by Negative-Ion Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n \n\n\n \n Cody, R.; and Dane, A.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry,1–6. February 2013.\n \n\n\n\n
\n\n\n\n \n \n \"SoftPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cody_soft_2013,\n\ttitle = {Soft {Ionization} of {Saturated} {Hydrocarbons}, {Alcohols} and {Nonpolar} {Compounds} by {Negative}-{Ion} {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-012-0569-6},\n\tdoi = {10.1007/s13361-012-0569-6},\n\tabstract = {Large polarizable n-alkanes (approximately C18 and larger), alcohols, and other nonpolar compounds can be detected as negative ions when sample solutions are injected directly into the sampling orifice of the atmospheric pressure interface of the time-of-flight mass spectrometer with the direct analysis in real time (DART) ion source operating in negative-ion mode. The mass spectra are dominated by peaks corresponding to [M + O2]‾•. No fragmentation is observed, making this a very soft ionization technique for samples that are otherwise difficult to analyze by DART. Detection limits for cholesterol were determined to be in the low nanogram range.},\n\tlanguage = {English},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Cody, RobertB. and Dane, A.John},\n\tmonth = feb,\n\tyear = {2013},\n\tkeywords = {Alcohols, Alkanes, Ambient, Cholesterol, DART, Direct analysis in real time, Hydrocarbons, Ionization, Negative ions, Triglycerides},\n\tpages = {1--6},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Large polarizable n-alkanes (approximately C18 and larger), alcohols, and other nonpolar compounds can be detected as negative ions when sample solutions are injected directly into the sampling orifice of the atmospheric pressure interface of the time-of-flight mass spectrometer with the direct analysis in real time (DART) ion source operating in negative-ion mode. The mass spectra are dominated by peaks corresponding to [M + O2]‾•. No fragmentation is observed, making this a very soft ionization technique for samples that are otherwise difficult to analyze by DART. Detection limits for cholesterol were determined to be in the low nanogram range.\n
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\n \n\n \n \n \n \n \n \n Applications of Confined DART (Direct Analysis in Real Time) Ion Source for Online in vivo Analysis of Human Breath.\n \n \n \n \n\n\n \n Li, Y.\n\n\n \n\n\n\n Analytical Methods. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_applications_2013,\n\ttitle = {Applications of {Confined} {DART} ({Direct} {Analysis} in {Real} {Time}) {Ion} {Source} for {Online} in vivo {Analysis} of {Human} {Breath}},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY41406J},\n\tdoi = {10.1039/C3AY41406J},\n\tabstract = {Human breath is composed of many volatile metabolites that can potentially provide information about a person's health status. A sensitive assay to identify these volatile organic compounds as biomarker is ideal and important for early detection of many diseases. However, the diagnosis through online breath analysis based on mass spectrometry is difficult due to the low concentration of pertinent compounds in breath. The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique, which can efficiently ionize gaseous, liquid and solid samples with high throughput. A major problem in analysis of gaseous samples is its poor detection sensitivity due to open-air sampling. Recently, the confined DART ion source (cDART) was developed, where the plasma generated by the atmospheric pressure glow discharge ionizes gas-phase molecules in a Tee-shaped flow tube instead of open air. It leads to significant increase of ionization efficiency of gaseous samples. In this study, the cDART source was modified and applied in online analysis of exhaled breath. The limit of detection of the improved cDART source was determined to be at the level of low ppb. The cDART source was used in the real-time monitoring of an oral anesthetic drug. The concentration variations of two active ingredients in exhaled breath, menthol and benzocaine, and their metabolites with time were obtained. The results show that the cDART ion source is a powerful analytical tool to provide high sensitivity and high throughput analysis for volatile organic compounds in human breath, and can find potential applications in clinical diagnosis and therapy.},\n\tjournal = {Analytical Methods},\n\tauthor = {Li, Yue},\n\tyear = {2013},\n}\n\n\n\n
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\n Human breath is composed of many volatile metabolites that can potentially provide information about a person's health status. A sensitive assay to identify these volatile organic compounds as biomarker is ideal and important for early detection of many diseases. However, the diagnosis through online breath analysis based on mass spectrometry is difficult due to the low concentration of pertinent compounds in breath. The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique, which can efficiently ionize gaseous, liquid and solid samples with high throughput. A major problem in analysis of gaseous samples is its poor detection sensitivity due to open-air sampling. Recently, the confined DART ion source (cDART) was developed, where the plasma generated by the atmospheric pressure glow discharge ionizes gas-phase molecules in a Tee-shaped flow tube instead of open air. It leads to significant increase of ionization efficiency of gaseous samples. In this study, the cDART source was modified and applied in online analysis of exhaled breath. The limit of detection of the improved cDART source was determined to be at the level of low ppb. The cDART source was used in the real-time monitoring of an oral anesthetic drug. The concentration variations of two active ingredients in exhaled breath, menthol and benzocaine, and their metabolites with time were obtained. The results show that the cDART ion source is a powerful analytical tool to provide high sensitivity and high throughput analysis for volatile organic compounds in human breath, and can find potential applications in clinical diagnosis and therapy.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time ionization/quadrupole time-of-flight tandem mass spectrometry for rapid identification of iridoids glycosides and caffeoylquinic acids in Re Du Ning Injections.\n \n \n \n \n\n\n \n Li, Y.; Wang, Z.; Bi, Y.; Ding, G.; Sheng, L.; Brian, M.; Zhang, C.; Chen, J.; and Xiao, W.\n\n\n \n\n\n\n Analytical Methods. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{li_direct_2013,\n\ttitle = {Direct analysis in real time ionization/quadrupole time-of-flight tandem mass spectrometry for rapid identification of iridoids glycosides and caffeoylquinic acids in {Re} {Du} {Ning} {Injections}},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY41476K},\n\tdoi = {10.1039/C3AY41476K},\n\tabstract = {Here we report a rapid approach for qualitative analysis of iridoid glycosides and caffeoylquinic acids (CQAs) in Re Du Ning Injections using Direct Analysis in Real Time ionization source (DART) coupled to quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS). In this approach, DART/MS and DART MS/MS analysis in both negative and positive ion modes were performed to characterize two iridoid glycosides and six CQAs in reference solutions and Re Du Ning Injections. Fragmentation pathways of the two kinds of natural compounds were summarized. DART-MS tended to break down some labile bonds in di-CQAs, The di-CQAs yielded abundant fragment ions in the (-) mass scan spectra. Collision-induced dissociation techniques were used to fragment the precursor ions and the product ions. Moreover, differentiation of the isomers of CQAs was possible by using the relative peak abundance and characteristic ion species in MS/MS spectra. DART-MS was also employed to obtain a chemical fingerprint of Re Du Ning Injections for rapid qualitative analysis of this Chinese medicine preparation. DART/Q-TOF MS/MS has shown potential to be used as the real-time detection method for Re Du Ning Injections.},\n\tjournal = {Analytical Methods},\n\tauthor = {Li, Yan-Jing and Wang, Zhen-Zhong and Bi, Yu-An and Ding, Gang and Sheng, Long-Sheng and Brian, Musselman and Zhang, Chen-Feng and Chen, Jun and Xiao, Wei},\n\tyear = {2013},\n}\n\n\n\n
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\n Here we report a rapid approach for qualitative analysis of iridoid glycosides and caffeoylquinic acids (CQAs) in Re Du Ning Injections using Direct Analysis in Real Time ionization source (DART) coupled to quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS). In this approach, DART/MS and DART MS/MS analysis in both negative and positive ion modes were performed to characterize two iridoid glycosides and six CQAs in reference solutions and Re Du Ning Injections. Fragmentation pathways of the two kinds of natural compounds were summarized. DART-MS tended to break down some labile bonds in di-CQAs, The di-CQAs yielded abundant fragment ions in the (-) mass scan spectra. Collision-induced dissociation techniques were used to fragment the precursor ions and the product ions. Moreover, differentiation of the isomers of CQAs was possible by using the relative peak abundance and characteristic ion species in MS/MS spectra. DART-MS was also employed to obtain a chemical fingerprint of Re Du Ning Injections for rapid qualitative analysis of this Chinese medicine preparation. DART/Q-TOF MS/MS has shown potential to be used as the real-time detection method for Re Du Ning Injections.\n
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\n \n\n \n \n \n \n \n \n Sampler for Collection and Analysis of Low Vapor Pressure Chemical (LVPC) Particulates/Aerosols.\n \n \n \n \n\n\n \n Ewing, K. J.; Gibson, D.; Sanghera, J.; and Miklos, F.\n\n\n \n\n\n\n Analytical Chemistry, 85(20): 9508–9513. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"SamplerPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{ewing_sampler_2013,\n\ttitle = {Sampler for {Collection} and {Analysis} of {Low} {Vapor} {Pressure} {Chemical} ({LVPC}) {Particulates}/{Aerosols}},\n\tvolume = {85},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac401100r},\n\tdoi = {10.1021/ac401100r},\n\tabstract = {Detection of low vapor pressure chemicals (LVPCs) such as pesticides and other toxic/hazardous materials on various environmental surfaces as well as LVPC aerosols is a significant challenge for current vapor phase detectors. We describe a novel sampling device which utilizes stainless steel screens coated with a sticky polydimethylsiloxane coating for collecting LVPCs aerosolized off of a surface. Results are presented for the collection and detection of a pesticide simulant, dimethyl methylphosphonate sorbed onto silica gel (DMMP/SG), using direct analysis in real time-cylindrical ion trap mass spectrometry (DART-CITMS).},\n\tnumber = {20},\n\turldate = {2013-11-25},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Ewing, K. J. and Gibson, D. and Sanghera, J. and Miklos, F.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {9508--9513},\n}\n\n\n\n
\n
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\n Detection of low vapor pressure chemicals (LVPCs) such as pesticides and other toxic/hazardous materials on various environmental surfaces as well as LVPC aerosols is a significant challenge for current vapor phase detectors. We describe a novel sampling device which utilizes stainless steel screens coated with a sticky polydimethylsiloxane coating for collecting LVPCs aerosolized off of a surface. Results are presented for the collection and detection of a pesticide simulant, dimethyl methylphosphonate sorbed onto silica gel (DMMP/SG), using direct analysis in real time-cylindrical ion trap mass spectrometry (DART-CITMS).\n
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\n \n\n \n \n \n \n \n \n Monitoring tea fermentation/manufacturing by Direct Analysis in Real Time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Fraser, K.; Lane, G. A.; Otter, D. E.; Harrison, S. J.; Quek, S.; Hemar, Y.; and Rasmussen, S.\n\n\n \n\n\n\n Food Chemistry, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MonitoringPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{fraser_monitoring_2013,\n\ttitle = {Monitoring tea fermentation/manufacturing by {Direct} {Analysis} in {Real} {Time} ({DART}) mass spectrometry},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814613006390},\n\tdoi = {10.1016/j.foodchem.2013.05.054},\n\tabstract = {Abstract \nFactors such as fermentation methods, geographical origin and season can affect the biochemical composition of tea leaves (Camellia sinensis L.). In this study, the biochemical composition of oolong tea during the manufacturing and fermentation process was studied using a non-targeted method utilising ambient ionisation with a direct analysis in real time (DART) ion source and mass spectrometry (MS). Caffeine dominated the positive ionisation spectra throughout the manufacturing process, while the negative ion spectra collected during manufacturing were rich in ions likely to be surface lipids. Correlation analyses on the spectra revealed two volatile compounds tentatively identified as indole and geranic acid, along with ammonium and caffeine clusters/adducts with geranic acid that increased in concentration during the fermentation stages of the process. The tentative identifications were assigned using a combination of DART-ion-trap MSn and DART-accurate mass MS1 and MS2 on tea samples and standard compounds. This study highlights the potential of DART-MS to rapidly monitor the progress of complex manufacturing processes such as tea fermentation.},\n\tnumber = {0},\n\tjournal = {Food Chemistry},\n\tauthor = {Fraser, Karl and Lane, Geoff A. and Otter, Don E. and Harrison, Scott J. and Quek, Siew-Young and Hemar, Yacine and Rasmussen, Susanne},\n\tyear = {2013},\n\tkeywords = {Caffeine, DARTMass spectrometry, Direct analysis in real time, Fermentation, Geranic acid, Profiling, Tea, Tea manufacturing},\n}\n\n\n\n
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\n Abstract Factors such as fermentation methods, geographical origin and season can affect the biochemical composition of tea leaves (Camellia sinensis L.). In this study, the biochemical composition of oolong tea during the manufacturing and fermentation process was studied using a non-targeted method utilising ambient ionisation with a direct analysis in real time (DART) ion source and mass spectrometry (MS). Caffeine dominated the positive ionisation spectra throughout the manufacturing process, while the negative ion spectra collected during manufacturing were rich in ions likely to be surface lipids. Correlation analyses on the spectra revealed two volatile compounds tentatively identified as indole and geranic acid, along with ammonium and caffeine clusters/adducts with geranic acid that increased in concentration during the fermentation stages of the process. The tentative identifications were assigned using a combination of DART-ion-trap MSn and DART-accurate mass MS1 and MS2 on tea samples and standard compounds. This study highlights the potential of DART-MS to rapidly monitor the progress of complex manufacturing processes such as tea fermentation.\n
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\n \n\n \n \n \n \n \n \n Mass spectrometry-based metabolomic fingerprinting for screening cold tolerance in Arabidopsis thaliana accessions.\n \n \n \n \n\n\n \n Vaclavik, L.; Mishra, A.; Mishra, K.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–13. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MassPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{vaclavik_mass_2013,\n\ttitle = {Mass spectrometry-based metabolomic fingerprinting for screening cold tolerance in {Arabidopsis} thaliana accessions},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-6692-1},\n\tdoi = {10.1007/s00216-012-6692-1},\n\tabstract = {The availability of rapid and reliable tools for monitoring of plants’ cold tolerance is a prerequisite for research aimed at breeding of cold-tolerant crop plants. Therefore, we have tested the capacity of metabolomics-based methods employing ultra-high-performance liquid chromatography (UHPLC)–mass spectrometry and direct analysis in real time–mass spectrometry for high-throughput screening of cold tolerance in eight differentially cold-tolerant accessions of Arabidopsis thaliana. Metabolomic fingerprinting of leaf tissues was performed in methanolic extracts for (1) 6-week-old non-acclimated (NAC) plants grown at room temperature, (2) NAC plants cold-acclimated (ACC) at 4 °C for 2 weeks, and (3) cold-acclimated plants given sub-zero-temperature treatments by slow cooling at −4 °C for 8 h. The generated chromatograms and mass spectra were processed with the use of multivariate statistical analysis employing principal component analysis (PCA) and linear discriminant analysis. The PCA of metabolomic fingerprints classified the investigated A. thaliana accessions into three categories with low, intermediate, and high cold tolerance for both the cold-acclimated and the sub-zero-temperature-treated plants. This indicates the potential application of metabolomics-based fingerprinting for measuring cold tolerance in the cold-acclimated state, i.e., without treating plants at freezing temperatures that is required by currently available methods. Furthermore, we employed UHPLC coupled to the quadrupole-time-of-flight mass spectrometry to identify characteristic metabolites in ACC state and found the abundance of gluconapin and flavon-3-ol glycosides, respectively, in the cold-sensitive and the cold-tolerant accessions.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Vaclavik, Lukas and Mishra, Anamika and Mishra, KumudB. and Hajslova, Jana},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {Arabidopsis thaliana, Chemometric analysis, Cold tolerance, DART–MS, LC–MS, Metabolomic fingerprinting},\n\tpages = {1--13},\n}\n\n\n\n
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\n The availability of rapid and reliable tools for monitoring of plants’ cold tolerance is a prerequisite for research aimed at breeding of cold-tolerant crop plants. Therefore, we have tested the capacity of metabolomics-based methods employing ultra-high-performance liquid chromatography (UHPLC)–mass spectrometry and direct analysis in real time–mass spectrometry for high-throughput screening of cold tolerance in eight differentially cold-tolerant accessions of Arabidopsis thaliana. Metabolomic fingerprinting of leaf tissues was performed in methanolic extracts for (1) 6-week-old non-acclimated (NAC) plants grown at room temperature, (2) NAC plants cold-acclimated (ACC) at 4 °C for 2 weeks, and (3) cold-acclimated plants given sub-zero-temperature treatments by slow cooling at −4 °C for 8 h. The generated chromatograms and mass spectra were processed with the use of multivariate statistical analysis employing principal component analysis (PCA) and linear discriminant analysis. The PCA of metabolomic fingerprints classified the investigated A. thaliana accessions into three categories with low, intermediate, and high cold tolerance for both the cold-acclimated and the sub-zero-temperature-treated plants. This indicates the potential application of metabolomics-based fingerprinting for measuring cold tolerance in the cold-acclimated state, i.e., without treating plants at freezing temperatures that is required by currently available methods. Furthermore, we employed UHPLC coupled to the quadrupole-time-of-flight mass spectrometry to identify characteristic metabolites in ACC state and found the abundance of gluconapin and flavon-3-ol glycosides, respectively, in the cold-sensitive and the cold-tolerant accessions.\n
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\n \n\n \n \n \n \n \n \n Detection of Caffeine in Tea, Instant Coffee, Green Tea Beverage, and Soft Drink by Direct Analysis in Real Time (DART) Source Coupled to Single-Quadrupole Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, L.; Zhao, P.; Zhang, F.; Bai, A.; and Pan, C.\n\n\n \n\n\n\n Journal of AOAC International, 96(2): 353–356. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_detection_2013,\n\ttitle = {Detection of {Caffeine} in {Tea}, {Instant} {Coffee}, {Green} {Tea} {Beverage}, and {Soft} {Drink} by {Direct} {Analysis} in {Real} {Time} ({DART}) {Source} {Coupled} to {Single}-{Quadrupole} {Mass} {Spectrometry}},\n\tvolume = {96},\n\turl = {http://www.ingentaconnect.com/content/aoac/jaoac/2013/00000096/00000002/art00021},\n\tdoi = {10.5740/jaoacint.12-160},\n\tabstract = {Ambient ionization direct analysis in real time (DART) coupled to single-quadrupole MS (DART-MS) was evaluated for rapid detection of caffeine in commercial samples without chromatographic separation or sample preparation. Four commercial samples were examined: tea, instant coffee, green tea beverage, and soft drink. The response-related parameters were optimized for the DART temperature and MS fragmentor. Under optimal conditions, the molecular ion (M+H)+ was the major ion for identification of caffeine. The results showed that DART-MS is a promising tool for the quick analysis of important marker molecules in commercial samples. Furthermore, this system has demonstrated significant potential for high sample throughput and real-time analysis.},\n\tnumber = {2},\n\tjournal = {Journal of AOAC International},\n\tauthor = {Wang, Lei and Zhao, Pengyue and Zhang, Fengzu and Bai, Aijuan and Pan, Canping},\n\tyear = {2013},\n\tpages = {353--356},\n}\n\n\n\n
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\n Ambient ionization direct analysis in real time (DART) coupled to single-quadrupole MS (DART-MS) was evaluated for rapid detection of caffeine in commercial samples without chromatographic separation or sample preparation. Four commercial samples were examined: tea, instant coffee, green tea beverage, and soft drink. The response-related parameters were optimized for the DART temperature and MS fragmentor. Under optimal conditions, the molecular ion (M+H)+ was the major ion for identification of caffeine. The results showed that DART-MS is a promising tool for the quick analysis of important marker molecules in commercial samples. Furthermore, this system has demonstrated significant potential for high sample throughput and real-time analysis.\n
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\n \n\n \n \n \n \n \n \n Application of mixture analysis to crude materials from natural resources (IV)[1(a-c)]: identification of Glycyrrhiza species by direct Analysis in real time mass spectrometry (II).\n \n \n \n \n\n\n \n Fukuda, E; Uesawa, Y; Baba, M; and Okada, Y\n\n\n \n\n\n\n Natural product communications, 8(12): 1721–1724. December 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fukuda_application_2013,\n\ttitle = {Application of mixture analysis to crude materials from natural resources ({IV})[1(a-c)]: identification of {Glycyrrhiza} species by direct {Analysis} in real time mass spectrometry ({II}).},\n\tvolume = {8},\n\turl = {http://europepmc.org/abstract/MED/24555282},\n\tabstract = {In order to identify Glycyrrhiza species by chemical fingerprinting, the bark of the roots and stolons of Glycyrrhiza uralensis Fischer and G. glabra Linné were analyzed using DART (Direct Analysis in Real Time)-MS. The characteristic peaks of each species were determined statistically by volcano plot. This summarizes the relationship between the p-values of a statistical test and the magnitude of the difference in values of the samples in the groups. In this experiment, peaks that had a p value {\\textless}0.05 in the t test and Z2 absolute difference were defined as characteristic. As a result, characteristic peaks of G. uralensis were found at m/z 299, 315, 341, and 369. In contrast, characteristic peaks of G. glabra were found at m/z 323, 325, 337, 339, and 391. In conclusion, we found several characteristic peaks to distinguish G. uralensis and G. glabra by DART-MS using volcano plot. This method can be applied to identify the Glycyrrhiza species.},\n\tnumber = {12},\n\tjournal = {Natural product communications},\n\tauthor = {Fukuda, E and Uesawa, Y and Baba, M and Okada, Y},\n\tmonth = dec,\n\tyear = {2013},\n\tpages = {1721--1724},\n}\n\n\n\n
\n
\n\n\n
\n In order to identify Glycyrrhiza species by chemical fingerprinting, the bark of the roots and stolons of Glycyrrhiza uralensis Fischer and G. glabra Linné were analyzed using DART (Direct Analysis in Real Time)-MS. The characteristic peaks of each species were determined statistically by volcano plot. This summarizes the relationship between the p-values of a statistical test and the magnitude of the difference in values of the samples in the groups. In this experiment, peaks that had a p value \\textless0.05 in the t test and Z2 absolute difference were defined as characteristic. As a result, characteristic peaks of G. uralensis were found at m/z 299, 315, 341, and 369. In contrast, characteristic peaks of G. glabra were found at m/z 323, 325, 337, 339, and 391. In conclusion, we found several characteristic peaks to distinguish G. uralensis and G. glabra by DART-MS using volcano plot. This method can be applied to identify the Glycyrrhiza species.\n
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\n \n\n \n \n \n \n \n \n DIRECT ANALYSIS IN REAL TIME / TIME OF FLIGHT MASS SPECTROMETRY: INVESTIGATIONS ON PARAMETERS FOR THE COUPLING WITH LIQUID PHASE SAMPLE INTRODUCTION TECHNIQUES.\n \n \n \n \n\n\n \n Hintersteiner, I.; Hertsens, R.; and Klampfl, C. W.\n\n\n \n\n\n\n Journal of Liquid Chromatography & Related Technologies,null–null. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DIRECTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{hintersteiner_direct_2013,\n\ttitle = {{DIRECT} {ANALYSIS} {IN} {REAL} {TIME} / {TIME} {OF} {FLIGHT} {MASS} {SPECTROMETRY}: {INVESTIGATIONS} {ON} {PARAMETERS} {FOR} {THE} {COUPLING} {WITH} {LIQUID} {PHASE} {SAMPLE} {INTRODUCTION} {TECHNIQUES}},\n\tissn = {1082-6076},\n\turl = {http://dx.doi.org/10.1080/10826076.2013.825846},\n\tdoi = {10.1080/10826076.2013.825846},\n\tabstract = {Studies for the evaluation of a lab made liquid jet interface designed for the coupling of Direct Analysis in Real Time (DART) time-of-flight mass spectrometry (TOF-MS) with liquid phase sample introduction systems such as flow injection analysis (FIA) or high performance liquid chromatography (HPLC) have been performed. Thereby a substantial influence of parameters like surface/volume ratio (determined by the inner diameter of the capillary employed) of the liquid jet as well as the composition of the eluent (with respect to the concentration of electrolyte and organic solvent) on signal intensities could be detected. Comparison of the developed interface with other more common interface types (based on electrospray ionization, atmospheric pressure chemical ionization and atmospheric pressure photoionization) was carried out on the example of a test mixture containing four parabens spiked into biological fluid samples. DART ionization proved superior when employed in combination with FIA as it was less affected by matrix effects resulting in ionization suppression. On the other hand if at least partial separation of the matrix/analytes was performed by using short chromatographic columns, the other ionization techniques turned out to be the better choice primarily due to their increased sensitivity.},\n\turldate = {2013-09-19},\n\tjournal = {Journal of Liquid Chromatography \\& Related Technologies},\n\tauthor = {Hintersteiner, Ingrid and Hertsens, Robert and Klampfl, Christian W.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
\n
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\n Studies for the evaluation of a lab made liquid jet interface designed for the coupling of Direct Analysis in Real Time (DART) time-of-flight mass spectrometry (TOF-MS) with liquid phase sample introduction systems such as flow injection analysis (FIA) or high performance liquid chromatography (HPLC) have been performed. Thereby a substantial influence of parameters like surface/volume ratio (determined by the inner diameter of the capillary employed) of the liquid jet as well as the composition of the eluent (with respect to the concentration of electrolyte and organic solvent) on signal intensities could be detected. Comparison of the developed interface with other more common interface types (based on electrospray ionization, atmospheric pressure chemical ionization and atmospheric pressure photoionization) was carried out on the example of a test mixture containing four parabens spiked into biological fluid samples. DART ionization proved superior when employed in combination with FIA as it was less affected by matrix effects resulting in ionization suppression. On the other hand if at least partial separation of the matrix/analytes was performed by using short chromatographic columns, the other ionization techniques turned out to be the better choice primarily due to their increased sensitivity.\n
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\n \n\n \n \n \n \n \n \n Fragmentation Behavior Studies of Chalcones Employing Direct Analysis in Real Time (DART).\n \n \n \n \n\n\n \n Rahman, M.; Attwa, M.; Ahmad, P.; Baseeruddin, M.; and Kadi, A.\n\n\n \n\n\n\n Mass Spectrometry Letters, 4: 30–33. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"FragmentationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{rahman_fragmentation_2013,\n\ttitle = {Fragmentation {Behavior} {Studies} of {Chalcones} {Employing} {Direct} {Analysis} in {Real} {Time} ({DART})},\n\tvolume = {4},\n\turl = {http://www.msletters.org},\n\tabstract = {Chalcones are naturally occurring, biologically active molecules generating interest from a wide range of research\napplications including synthetic methodology development, biological activity investigation and studying fragmentation patterns. In\nthis article, a series of chalcones has been synthesized and their fragmentation behavior was studied using modern ambient ionization\ntechnique Direct Analysis in Real Time (DART). DART ion source connected with an ion trap mass spectrometer was\nused for the fragmentation of various substituted chalcones. The chalcones were introduced to the DART source using a glass\ncapillary without sample preparation step. All the chalcones showed prominent molecular ion peaks [M]•+ corresponding to the\nstructures. Multistage mass spectral data MSn (MS2 and MS3) were collected for all the chalcones studied. The chalcones with\nsubstitutions at 3, 4 or 5 positions gave product ion peaks with the loss of a phenyl radical (Ph•) by radical initiated α-cleavage,\nwhile substitution at 2 position of chalcone in the A-ring gave a product ion peak with the loss of substituted styryl radical\n(PhCH = CH•). In case of the chalcones with the substituent at 4 positions in A and B rings gave both types of fragmentation patterns.\nIn conclusion, chalcones can be easily characterized using modern DART interface in very short time and efficiently\nwithout any cumbersome sample pretreatment.},\n\tjournal = {Mass Spectrometry Letters},\n\tauthor = {Rahman, Motiur and Attwa, Mohamed and Ahmad, Pervez and Baseeruddin, Mohammad and Kadi, Adnan},\n\tyear = {2013},\n\tpages = {30--33},\n}\n\n\n\n
\n
\n\n\n
\n Chalcones are naturally occurring, biologically active molecules generating interest from a wide range of research applications including synthetic methodology development, biological activity investigation and studying fragmentation patterns. In this article, a series of chalcones has been synthesized and their fragmentation behavior was studied using modern ambient ionization technique Direct Analysis in Real Time (DART). DART ion source connected with an ion trap mass spectrometer was used for the fragmentation of various substituted chalcones. The chalcones were introduced to the DART source using a glass capillary without sample preparation step. All the chalcones showed prominent molecular ion peaks [M]•+ corresponding to the structures. Multistage mass spectral data MSn (MS2 and MS3) were collected for all the chalcones studied. The chalcones with substitutions at 3, 4 or 5 positions gave product ion peaks with the loss of a phenyl radical (Ph•) by radical initiated α-cleavage, while substitution at 2 position of chalcone in the A-ring gave a product ion peak with the loss of substituted styryl radical (PhCH = CH•). In case of the chalcones with the substituent at 4 positions in A and B rings gave both types of fragmentation patterns. In conclusion, chalcones can be easily characterized using modern DART interface in very short time and efficiently without any cumbersome sample pretreatment.\n
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\n \n\n \n \n \n \n \n \n Real time in situ chemical characterization of sub-micron organic aerosols using Direct Analysis in Real Time mass spectrometry (DART-MS): the effect of aerosol size and volatility.\n \n \n \n \n\n\n \n Chan, M. N.; Nah, T.; and Wilson, K. R.\n\n\n \n\n\n\n Analyst. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RealPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chan_real_2013,\n\ttitle = {Real time in situ chemical characterization of sub-micron organic aerosols using {Direct} {Analysis} in {Real} {Time} mass spectrometry ({DART}-{MS}): the effect of aerosol size and volatility},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00168G},\n\tdoi = {10.1039/C3AN00168G},\n\tabstract = {Direct Analysis in Real Time (DART) mass spectrometry is an atmospheric pressure ionization technique suitable for in situ chemical analysis of organic aerosols. Here, mass spectra are obtained by introducing a stream of nanometer-sized aerosols into the ionization region, which is an open space between the ion source and the atmospheric inlet of mass spectrometer. Model single component aerosols are used to show how the aerosol size and volatility influence the measured ion signals at different DART gas temperatures. The results show that for equivalent aerosol mass concentrations, the ion signal scales with particle surface area, with smaller diameter oleic acid aerosols yielding higher ion signals relative to larger diameter aerosols. For the aerosols of the same size, but different vapor pressures, the ion signal is larger for more volatile succinic acid aerosols than less volatile adipic and suberic acid particles. From the measured changes in aerosol size, produced by the DART source, the radial probing depth for these model aerosols range from 1 to 10 nm, the magnitude of which depends upon the physiochemical properties of the aerosols and DART gas temperature. An aerosol evaporation model reveals that the ion signal is correlated with changes in aerosol size and depends upon the total quantity of evaporated aerosol mass, consistent with a mechanism in which gas-phase molecules are first desorbed from the aerosol surface prior to ionization. The results of this work serve as a basis for future investigations of the mass spectra, ionization pathways, and probing depth of the aerosols using DART.},\n\tjournal = {Analyst},\n\tauthor = {Chan, Man Nin and Nah, Theodora and Wilson, Kevin R.},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART) mass spectrometry is an atmospheric pressure ionization technique suitable for in situ chemical analysis of organic aerosols. Here, mass spectra are obtained by introducing a stream of nanometer-sized aerosols into the ionization region, which is an open space between the ion source and the atmospheric inlet of mass spectrometer. Model single component aerosols are used to show how the aerosol size and volatility influence the measured ion signals at different DART gas temperatures. The results show that for equivalent aerosol mass concentrations, the ion signal scales with particle surface area, with smaller diameter oleic acid aerosols yielding higher ion signals relative to larger diameter aerosols. For the aerosols of the same size, but different vapor pressures, the ion signal is larger for more volatile succinic acid aerosols than less volatile adipic and suberic acid particles. From the measured changes in aerosol size, produced by the DART source, the radial probing depth for these model aerosols range from 1 to 10 nm, the magnitude of which depends upon the physiochemical properties of the aerosols and DART gas temperature. An aerosol evaporation model reveals that the ion signal is correlated with changes in aerosol size and depends upon the total quantity of evaporated aerosol mass, consistent with a mechanism in which gas-phase molecules are first desorbed from the aerosol surface prior to ionization. The results of this work serve as a basis for future investigations of the mass spectra, ionization pathways, and probing depth of the aerosols using DART.\n
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\n \n\n \n \n \n \n \n \n Screening for trace explosives by AccuTOF™-DART®: An in-depth validation study.\n \n \n \n \n\n\n \n Sisco, E.; Dake, J.; and Bridge, C.\n\n\n \n\n\n\n Forensic Science International, 232(1–3): 160–168. October 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ScreeningPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{sisco_screening_2013,\n\ttitle = {Screening for trace explosives by {AccuTOF}™-{DART}®: {An} in-depth validation study},\n\tvolume = {232},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813003551},\n\tdoi = {10.1016/j.forsciint.2013.07.006},\n\tabstract = {Abstract\nAmbient ionization mass spectrometry is finding increasing utility as a rapid analysis technique in a number of fields. In forensic science specifically, analysis of many types of samples, including drugs, explosives, inks, bank dye, and lotions, has been shown to be possible using these techniques [1]. This paper focuses on one type of ambient ionization mass spectrometry, Direct Analysis in Real Time Mass Spectrometry (DART-MS or DART), and its viability as a screening tool for trace explosives analysis. In order to assess viability, a validation study was completed which focused on the analysis of trace amounts of nitro and peroxide based explosives. Topics which were studied, and are discussed, include method optimization, reproducibility, sensitivity, development of a search library, discrimination of mixtures, and blind sampling. Advantages and disadvantages of this technique over other similar screening techniques are also discussed.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Sisco, Edward and Dake, Jeffrey and Bridge, Candice},\n\tmonth = oct,\n\tyear = {2013},\n\tkeywords = {Ambient ionization mass spectrometry, Gas chromatography mass spectrometry, Trace detection},\n\tpages = {160--168},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Ambient ionization mass spectrometry is finding increasing utility as a rapid analysis technique in a number of fields. In forensic science specifically, analysis of many types of samples, including drugs, explosives, inks, bank dye, and lotions, has been shown to be possible using these techniques [1]. This paper focuses on one type of ambient ionization mass spectrometry, Direct Analysis in Real Time Mass Spectrometry (DART-MS or DART), and its viability as a screening tool for trace explosives analysis. In order to assess viability, a validation study was completed which focused on the analysis of trace amounts of nitro and peroxide based explosives. Topics which were studied, and are discussed, include method optimization, reproducibility, sensitivity, development of a search library, discrimination of mixtures, and blind sampling. Advantages and disadvantages of this technique over other similar screening techniques are also discussed.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time—a critical review on DART-MS.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–18. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{gross_direct_2013,\n\ttitle = {Direct analysis in real time—a critical review on {DART}-{MS}},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-7316-0},\n\tdoi = {10.1007/s00216-013-7316-0},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) has become an established technique for rapid mass spectral analysis of a large variety of samples. DART-MS is capable of analyzing the sample at atmospheric pressure, essentially in the open laboratory environment. DART-MS can be applied to compounds that have been deposited or adsorbed on to surfaces or that are being desorbed therefrom into the atmosphere. This makes DART-MS suitable and well-known for analysis of ingredients of plant materials, pesticide monitoring on vegetables, forensic and safety applications such as screening for traces of explosives, warfare agents, or illicit drugs on luggage, clothes, or bank notes, etc. DART can also be used for analysis of either solid or liquid bulk materials, as may be required in quality control, or to quickly investigate the identity of a compound from chemical synthesis. Even living organisms can be subjected to DART-MS. Driven by different needs in analytical practice, the combination of the DART ionization source and interface can be configured in multiple geometries and with various accessories to adapt the setup as required. Analysis by DART-MS relies on some sort of gas-phase ionization mechanism. In DART, initial generation of the ionizing species is by use of a corona discharge in a pure helium atmosphere which delivers excited helium atoms that, upon their release into the atmosphere, will initiate a cascade of gas-phase reactions. In the end, this results in reagent ions created from atmospheric water or (solvent) vapor in the vicinity of the surface subject to analysis where they effect a chemical ionization process. DART ionization processes may generate positive or negative ions, predominantly even-electron species, but odd-electron species do also occur. The prevailing process of analyte ion formation from a given sample is highly dependent on analyte properties.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Ambient mass spectrometry, DART, Direct analysis in real time, Ionization, Rapid screening},\n\tpages = {1--18},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) has become an established technique for rapid mass spectral analysis of a large variety of samples. DART-MS is capable of analyzing the sample at atmospheric pressure, essentially in the open laboratory environment. DART-MS can be applied to compounds that have been deposited or adsorbed on to surfaces or that are being desorbed therefrom into the atmosphere. This makes DART-MS suitable and well-known for analysis of ingredients of plant materials, pesticide monitoring on vegetables, forensic and safety applications such as screening for traces of explosives, warfare agents, or illicit drugs on luggage, clothes, or bank notes, etc. DART can also be used for analysis of either solid or liquid bulk materials, as may be required in quality control, or to quickly investigate the identity of a compound from chemical synthesis. Even living organisms can be subjected to DART-MS. Driven by different needs in analytical practice, the combination of the DART ionization source and interface can be configured in multiple geometries and with various accessories to adapt the setup as required. Analysis by DART-MS relies on some sort of gas-phase ionization mechanism. In DART, initial generation of the ionizing species is by use of a corona discharge in a pure helium atmosphere which delivers excited helium atoms that, upon their release into the atmosphere, will initiate a cascade of gas-phase reactions. In the end, this results in reagent ions created from atmospheric water or (solvent) vapor in the vicinity of the surface subject to analysis where they effect a chemical ionization process. DART ionization processes may generate positive or negative ions, predominantly even-electron species, but odd-electron species do also occur. The prevailing process of analyte ion formation from a given sample is highly dependent on analyte properties.\n
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\n \n\n \n \n \n \n \n \n Identification of saccharides by using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Wang, Y.; Liu, L.; Ma, L.; and Liu, S.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wang_identification_2013,\n\ttitle = {Identification of saccharides by using direct analysis in real time ({DART}) mass spectrometry},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380613003461},\n\tdoi = {10.1016/j.ijms.2013.09.008},\n\tabstract = {Abstract\nDirect analysis in real time (DART) coupled with quadrupole time-of-flight mass spectrometry (Q-TOF-MS) was applied to investigate the different types of saccharides including ginseng oligosaccharide extract with minimal sample pretreatment. Helium gas temperature into the DART ion source was adjusted to find optimal ionization temperature for glucose in increments of 50oC from 50oC to 450oC. It was observed that gas temperature had a significant effect on signal intensity in DART Mass Spectra. The temperature for the glucose ionization should be at least 150oC, and the signal intensity reached optimal ionization state at 250oC. With the increase of a sugar chain, a higher gas temperature was needed for saccharide ionization. Interestingly, sugar cluster formation can be observed at 450oC for disaccharides and trisaccharides. It is found that the [M +NH4]+ ions of trisaccharide and ginseng oligosaccharides can be rarely produced without any derivatization even at 450oC. All the samples except five carbon monosaccharides can generate the m/z 198 ion, so it is difficult to determine whether a m/z 198 ion is the [M + NH4]+ ion of glucose or merely a sample fragment ion most likely an ammoniated monosaccharide fragment.},\n\tnumber = {0},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Wang, Yang and Liu, Li and Ma, Li and Liu, Shuying},\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Sacchrides, gingseng extract},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Direct analysis in real time (DART) coupled with quadrupole time-of-flight mass spectrometry (Q-TOF-MS) was applied to investigate the different types of saccharides including ginseng oligosaccharide extract with minimal sample pretreatment. Helium gas temperature into the DART ion source was adjusted to find optimal ionization temperature for glucose in increments of 50oC from 50oC to 450oC. It was observed that gas temperature had a significant effect on signal intensity in DART Mass Spectra. The temperature for the glucose ionization should be at least 150oC, and the signal intensity reached optimal ionization state at 250oC. With the increase of a sugar chain, a higher gas temperature was needed for saccharide ionization. Interestingly, sugar cluster formation can be observed at 450oC for disaccharides and trisaccharides. It is found that the [M +NH4]+ ions of trisaccharide and ginseng oligosaccharides can be rarely produced without any derivatization even at 450oC. All the samples except five carbon monosaccharides can generate the m/z 198 ion, so it is difficult to determine whether a m/z 198 ion is the [M + NH4]+ ion of glucose or merely a sample fragment ion most likely an ammoniated monosaccharide fragment.\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry of covalently bound organic monolayers.\n \n \n \n \n\n\n \n Manova, R. K.; Claassen, F. W.; Nielen, M. W. F.; Zuilhof, H.; and van Beek, T. A.\n\n\n \n\n\n\n Chemical Communications. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{manova_ambient_2013,\n\ttitle = {Ambient mass spectrometry of covalently bound organic monolayers},\n\tissn = {1359-7345},\n\turl = {http://dx.doi.org/10.1039/C2CC37605A},\n\tabstract = {Detailed molecular analysis by Direct Analysis in Real Time High Resolution Mass Spectrometry (DART-HRMS) of ester and amide-terminated monolayers is demonstrated. The structural information obtained allowed monitoring of the progress of a 4-step surface modification.},\n\tjournal = {Chemical Communications},\n\tauthor = {Manova, Radostina K. and Claassen, Frank W. and Nielen, Michel W. F. and Zuilhof, Han and van Beek, Teris A.},\n\tyear = {2013},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Detailed molecular analysis by Direct Analysis in Real Time High Resolution Mass Spectrometry (DART-HRMS) of ester and amide-terminated monolayers is demonstrated. The structural information obtained allowed monitoring of the progress of a 4-step surface modification.\n
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\n \n\n \n \n \n \n \n \n High-throughput differentiation of heparin from other glycosaminoglycans by pyrolysis mass spectrometry.\n \n \n \n \n\n\n \n Nemes, P.; Hoover, W. J; and Keire, D. A.\n\n\n \n\n\n\n Analytical Chemistry. July 2013.\n \n\n\n\n
\n\n\n\n \n \n \"High-throughputPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{nemes_high-throughput_2013,\n\ttitle = {High-throughput differentiation of heparin from other glycosaminoglycans by pyrolysis mass spectrometry},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac401318q},\n\tdoi = {10.1021/ac401318q},\n\tabstract = {Sensors with high chemical specificity and enhanced sample throughput are vital to screening food products and medical devices for chemical or biochemical contaminants that may pose a significant threat to public health. For example, the rapid detection of oversulfated chondroitin sulfate (OSCS) in heparin could prevent reoccurrence of this adulterant that caused hundreds of severe adverse events including deaths worldwide in 2007?2008. Here, rapid pyrolysis is integrated with direct analysis in real time (DART) mass spectrometry to rapidly screen major glycosaminoglycans, including: heparin, chondroitin sulfate A, dermatan sulfate, and OSCS. The results demonstrate that, compared to traditional liquid chromatography-based analyses, pyrolysis mass spectrometry achieved at least 250-fold higher sample throughput and was compatible with samples volume-limited to about 300 nL. Pyrolysis yielded an abundance of fragment ions (e.g., 150 different m/z species), many of which were specific to the parent compound. Using multivariate and statistical data analysis models, these data enabled facile differentiation of the glycosaminoglycans with high throughput. After method development was completed, authentically contaminated samples obtained during the heparin crisis by the FDA were analyzed in a blinded manner for OSCS contamination. The lower limit of differentiation and detection were 0.1\\% (w/w) OSCS in heparin and 100 ng/µL (20 ng) OSCS in water, respectively. For quantitative purposes the linear dynamic range spanned approximately three orders of magnitude. Moreover, this chemical readout was successfully employed to find clues in the manufacturing history of the heparin samples that can be used for surveillance purposes. The presented technology and data analysis protocols are anticipated to be readily adaptable to other chemical and biochemical agents and volume-limited samples.},\n\turldate = {2013-07-16},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nemes, Peter and Hoover, William J and Keire, David A.},\n\tmonth = jul,\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Sensors with high chemical specificity and enhanced sample throughput are vital to screening food products and medical devices for chemical or biochemical contaminants that may pose a significant threat to public health. For example, the rapid detection of oversulfated chondroitin sulfate (OSCS) in heparin could prevent reoccurrence of this adulterant that caused hundreds of severe adverse events including deaths worldwide in 2007?2008. Here, rapid pyrolysis is integrated with direct analysis in real time (DART) mass spectrometry to rapidly screen major glycosaminoglycans, including: heparin, chondroitin sulfate A, dermatan sulfate, and OSCS. The results demonstrate that, compared to traditional liquid chromatography-based analyses, pyrolysis mass spectrometry achieved at least 250-fold higher sample throughput and was compatible with samples volume-limited to about 300 nL. Pyrolysis yielded an abundance of fragment ions (e.g., 150 different m/z species), many of which were specific to the parent compound. Using multivariate and statistical data analysis models, these data enabled facile differentiation of the glycosaminoglycans with high throughput. After method development was completed, authentically contaminated samples obtained during the heparin crisis by the FDA were analyzed in a blinded manner for OSCS contamination. The lower limit of differentiation and detection were 0.1% (w/w) OSCS in heparin and 100 ng/µL (20 ng) OSCS in water, respectively. For quantitative purposes the linear dynamic range spanned approximately three orders of magnitude. Moreover, this chemical readout was successfully employed to find clues in the manufacturing history of the heparin samples that can be used for surveillance purposes. The presented technology and data analysis protocols are anticipated to be readily adaptable to other chemical and biochemical agents and volume-limited samples.\n
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\n \n\n \n \n \n \n \n \n Characterizations of the Extracts from Geting Bituminous Coal by Spectrometries.\n \n \n \n \n\n\n \n Shi, D.; Wei, X.; Fan, X.; Zong, Z.; Chen, B.; Zhao, Y.; Wang, Y.; and Cao, J.\n\n\n \n\n\n\n Energy & Fuels. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{shi_characterizations_2013,\n\ttitle = {Characterizations of the {Extracts} from {Geting} {Bituminous} {Coal} by {Spectrometries}},\n\tissn = {0887-0624},\n\turl = {http://dx.doi.org/10.1021/ef4004686},\n\tdoi = {10.1021/ef4004686},\n\tabstract = {Geting bituminous coal (GBC) was sequentially extracted with petroleum ether, carbon disulfide (CDS), methanol, acetone, and isometric CDS/acetone mixed solvent at room temperature to afford extracts 1-5 (E1-E5) and residue, respectively. Detailed characterizations of the extracts were performed with a gas chromatography/mass spectrometer (GC/MS), Fourier transform infrared (FTIR) spectrometer, and direct analysis in real time ionization source (DARTIS) coupled to an ion trap mass spectrometer (ITMS). GBC and its residue were also analyzed with the FTIR spectrometer. Particle sizes of the residue were significantly reduced compared with those of GBC according to the observation with scanning electron microscope. Arenes with 1-4 rings and more condensed arenes were enriched into E1 and E2, respectively, while more heteroatom-containing organic species were detected in other extracts, especially in E3 and E4 according to GC/MS analysis. The extracts, especially E1-E4, contain more aliphatic moieties and less aromatic moieties compared to GBC and its residue based on FTIR analysis. DARTIS/ITMS proved to be a powerful tool for analyzing thermally labile and/or involatile species, which are difficult to be identified with GC/MS, in the extracts. The GC-MS gave identification of relative small molecules demonstrating the enrichment of alkanes and 1-3 rings aromatics in E1, 4-6 rings aromatics in E2, organooxygen compounds in E3, phthalates and alkoxycarbonyl benzoic acids in E4. FT-IR analysis showed the functional groups in all extracts were mostly consistent with the GC-MS analysis. It supplied characterization and distribution of large molecules, which was beyond the detection range of GC-MS. DART-MS and corresponding tandem mass spectrometry program (DART-MS-MS) afforded the structural information about a wide variety of homologues (with the same core but different number of CH2) in extracts, which matched well with FT-IR result. Furthermore, the DART-MS-MS also elucidated the identification of alkoxycarbonyl benzoic acids series and et al, which was in good agreement with GC-MS result. These work confirmed that the DART-MS, as a novel and cutting-edge technology, is a desirable and reliable technology in coal chemistry. In this paper, combined with sophisticate GC-MS and FT-IR, DART-MS offered us detailed characteristics of GBC extract on molecule-level.},\n\turldate = {2013-06-25},\n\tjournal = {Energy \\& Fuels},\n\tauthor = {Shi, Da-Ling and Wei, Xian-Yong and Fan, Xing and Zong, Zhi-Min and Chen, Bo and Zhao, Yun-Peng and Wang, Yu-Gao and Cao, Jing-Pei},\n\tmonth = jun,\n\tyear = {2013},\n}\n\n\n\n
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\n Geting bituminous coal (GBC) was sequentially extracted with petroleum ether, carbon disulfide (CDS), methanol, acetone, and isometric CDS/acetone mixed solvent at room temperature to afford extracts 1-5 (E1-E5) and residue, respectively. Detailed characterizations of the extracts were performed with a gas chromatography/mass spectrometer (GC/MS), Fourier transform infrared (FTIR) spectrometer, and direct analysis in real time ionization source (DARTIS) coupled to an ion trap mass spectrometer (ITMS). GBC and its residue were also analyzed with the FTIR spectrometer. Particle sizes of the residue were significantly reduced compared with those of GBC according to the observation with scanning electron microscope. Arenes with 1-4 rings and more condensed arenes were enriched into E1 and E2, respectively, while more heteroatom-containing organic species were detected in other extracts, especially in E3 and E4 according to GC/MS analysis. The extracts, especially E1-E4, contain more aliphatic moieties and less aromatic moieties compared to GBC and its residue based on FTIR analysis. DARTIS/ITMS proved to be a powerful tool for analyzing thermally labile and/or involatile species, which are difficult to be identified with GC/MS, in the extracts. The GC-MS gave identification of relative small molecules demonstrating the enrichment of alkanes and 1-3 rings aromatics in E1, 4-6 rings aromatics in E2, organooxygen compounds in E3, phthalates and alkoxycarbonyl benzoic acids in E4. FT-IR analysis showed the functional groups in all extracts were mostly consistent with the GC-MS analysis. It supplied characterization and distribution of large molecules, which was beyond the detection range of GC-MS. DART-MS and corresponding tandem mass spectrometry program (DART-MS-MS) afforded the structural information about a wide variety of homologues (with the same core but different number of CH2) in extracts, which matched well with FT-IR result. Furthermore, the DART-MS-MS also elucidated the identification of alkoxycarbonyl benzoic acids series and et al, which was in good agreement with GC-MS result. These work confirmed that the DART-MS, as a novel and cutting-edge technology, is a desirable and reliable technology in coal chemistry. In this paper, combined with sophisticate GC-MS and FT-IR, DART-MS offered us detailed characteristics of GBC extract on molecule-level.\n
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\n \n\n \n \n \n \n \n \n Non-visible print set-off of photoinitiators in food packaging: detection by ambient ionization mass spectrometry.\n \n \n \n \n\n\n \n Bentayeb, K.; Ackerman, L.; Lord, T.; and Begley, T.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A,null–null. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Non-visiblePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bentayeb_non-visible_2013,\n\ttitle = {Non-visible print set-off of photoinitiators in food packaging: detection by ambient ionization mass spectrometry},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2012.762694},\n\tdoi = {10.1080/19440049.2012.762694},\n\tabstract = {Abstract Direct Analysis in Real Time coupled to Time of Flight Mass Spectrometry (DART/TOF-MS) was used to detect the non-visible set-off of photoinitiators on the food contact surface of three different packages. The samples were intentionally under-cured to provoke set-off. Twelve commercially available photoinitiators were included in the ink formulations including α?amino-, morpholino, and α?hydroxy benzophenones, thioxanthones, aryl-phosphine oxide and three polymeric versions of these. Major colors of the packages' prints were analyzed, as well as the specific areas of the inner surface in contact with them. Larger quantities of photoinitiators were detected on the food contact areas in contact with the darker colors of the images. Speed-cure 7005 and 4-phenylbenzophenone were the compounds most susceptible to set-off in each of the samples by DART response. An identification protocol for unknown set-off compounds was tested resulting in the set-off detection of diethylene glycol ethers, erucamide and acrylates, and confirmed by solvent extraction GC-MS analysis. Finally, DART/TOF-MS was scanned across transects of the food contact side of packages to map the presence of photoinitiators. Higher photoinitiator signals were observed in patterns corresponding to the printed image, suggesting DART/TOF-MS might ?image? print set-off.},\n\turldate = {2013-01-14},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Bentayeb, K. and Ackerman, L.K. and Lord, T. and Begley, T.H.},\n\tmonth = jan,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Direct Analysis in Real Time coupled to Time of Flight Mass Spectrometry (DART/TOF-MS) was used to detect the non-visible set-off of photoinitiators on the food contact surface of three different packages. The samples were intentionally under-cured to provoke set-off. Twelve commercially available photoinitiators were included in the ink formulations including α?amino-, morpholino, and α?hydroxy benzophenones, thioxanthones, aryl-phosphine oxide and three polymeric versions of these. Major colors of the packages' prints were analyzed, as well as the specific areas of the inner surface in contact with them. Larger quantities of photoinitiators were detected on the food contact areas in contact with the darker colors of the images. Speed-cure 7005 and 4-phenylbenzophenone were the compounds most susceptible to set-off in each of the samples by DART response. An identification protocol for unknown set-off compounds was tested resulting in the set-off detection of diethylene glycol ethers, erucamide and acrylates, and confirmed by solvent extraction GC-MS analysis. Finally, DART/TOF-MS was scanned across transects of the food contact side of packages to map the presence of photoinitiators. Higher photoinitiator signals were observed in patterns corresponding to the printed image, suggesting DART/TOF-MS might ?image? print set-off.\n
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\n \n\n \n \n \n \n \n \n Quality by Design Study of the Direct Analysis in Real Time Mass Spectrometry Response.\n \n \n \n \n\n\n \n Wang, L.; Chen, T.; Zeng, S.; and Qu, H.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry,1–8. December 2013.\n \n\n\n\n
\n\n\n\n \n \n \"QualityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wang_quality_2013,\n\ttitle = {Quality by {Design} {Study} of the {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} {Response}},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-013-0779-6},\n\tdoi = {10.1007/s13361-013-0779-6},\n\tabstract = {A mass spectrometry method has been developed using the Quality by Design (QbD) principle. Direct analysis in real time mass spectrometry (DART-MS) was adopted to analyze a pharmaceutical preparation. A fishbone diagram for DART-MS and the Plackett-Burman design were utilized to evaluate the impact of a number of factors on the method performance. Multivariate regression and Pareto ranking analysis indicated that the temperature, determined distance, and sampler speed were statistically significant (P {\\textless} 0.05). Furthermore, the Box-Behnken design combined with response surface analysis was then employed to study the relationships between these three factors and the quality of the DART-MS analysis. The analytical design space of DART-MS was thus constructed and its robustness was validated. In this presented approach, method performance was mathematically described as a composite desirability function of the critical quality attributes (CQAs). Two terms of method validation, including analytical repeatability and method robustness, were carried out at an operating work point. Finally, the validated method was successfully applied to the pharmaceutical quality assurance in different manufacturing batches. These results revealed that the QbD concept was practical in DART-MS method development. Meanwhile, the determined quality was controlled by the analytical design space. This presented strategy provided a tutorial to the development of a robust QbD-compliant mass spectrometry method for industrial quality control.},\n\tlanguage = {English},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Wang, Lu and Chen, Teng and Zeng, Shanshan and Qu, Haibin},\n\tmonth = dec,\n\tyear = {2013},\n\tkeywords = {Analytical method development, Design space, Direct analysis in real time, Method robustness, Quality by design, mass spectrometry},\n\tpages = {1--8},\n}\n\n\n\n
\n
\n\n\n
\n A mass spectrometry method has been developed using the Quality by Design (QbD) principle. Direct analysis in real time mass spectrometry (DART-MS) was adopted to analyze a pharmaceutical preparation. A fishbone diagram for DART-MS and the Plackett-Burman design were utilized to evaluate the impact of a number of factors on the method performance. Multivariate regression and Pareto ranking analysis indicated that the temperature, determined distance, and sampler speed were statistically significant (P \\textless 0.05). Furthermore, the Box-Behnken design combined with response surface analysis was then employed to study the relationships between these three factors and the quality of the DART-MS analysis. The analytical design space of DART-MS was thus constructed and its robustness was validated. In this presented approach, method performance was mathematically described as a composite desirability function of the critical quality attributes (CQAs). Two terms of method validation, including analytical repeatability and method robustness, were carried out at an operating work point. Finally, the validated method was successfully applied to the pharmaceutical quality assurance in different manufacturing batches. These results revealed that the QbD concept was practical in DART-MS method development. Meanwhile, the determined quality was controlled by the analytical design space. This presented strategy provided a tutorial to the development of a robust QbD-compliant mass spectrometry method for industrial quality control.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time high-resolution mass spectrometry for high-throughput analysis of antiparasitic veterinary drugs in feed and food.\n \n \n \n \n\n\n \n Martínez-Villalba, A.; Vaclavik, L.; Moyano, E.; Galceran, M. T.; and Hajslova, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(3): 467–475. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{martinez-villalba_direct_2013,\n\ttitle = {Direct analysis in real time high-resolution mass spectrometry for high-throughput analysis of antiparasitic veterinary drugs in feed and food},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6466},\n\tdoi = {10.1002/rcm.6466},\n\tabstract = {RATIONALE \n \nDirect analysis in real time (DART) is a novel ionization technique that has been demonstrated in numerous applications as a useful tool for fast and convenient mass spectrometry (MS)-based analysis of complex samples. In this study, the feasibility of DART ionization coupled to a high-resolution mass spectrometer utilizing an orbitrap mass analyzer (orbitrap MS) for high-throughput analysis of antiparasitic veterinary drugs was explored. \n \nMETHODS \n \nTo obtain the best DART-orbitrap MS performance, stepwise optimization of instrumental parameter settings, such as ionization gas temperature and mass resolving power, was performed. The optimized method was applied to feed and bovine milk samples previously extracted following a QuEChERS-like strategy. \n \nRESULTS \n \nMost antiparasitic drugs could be analyzed following the described method. Positive DART ionization provided the protonated molecules [M+H]+; in negative DART ion mode, deprotonated molecules [M–H]– were observed. As an exception, polyether ionophores could be observed as the sodiated adducts [M+Na]+. Samples of milk and feed were extracted using a modified QuEChERS method for the determination of benzimidazoles and coccidiostats respectively and quantification was carried out by matrix-matched calibration curves. \n \nCONCLUSIONS \n \nThe combination of an analysis time of less than 1 min per sample and the possibility to acquire accurate masses under high mass resolving power (HR) makes the DART-HRMS technique an effective tool for rapid qualitative screening of antiparasitic veterinary drugs. Additionally, the results obtained in this study demonstrated the feasibility of this approach to quantify target analytes at levels down to 1 µg kg–1 for benzimidazolic compounds in milk and 0.25 mg kg–1 for coccidiostats in chicken feed. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Martínez-Villalba, Anna and Vaclavik, Lukas and Moyano, Encarnación and Galceran, Maria Teresa and Hajslova, Jana},\n\tyear = {2013},\n\tpages = {467--475},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Direct analysis in real time (DART) is a novel ionization technique that has been demonstrated in numerous applications as a useful tool for fast and convenient mass spectrometry (MS)-based analysis of complex samples. In this study, the feasibility of DART ionization coupled to a high-resolution mass spectrometer utilizing an orbitrap mass analyzer (orbitrap MS) for high-throughput analysis of antiparasitic veterinary drugs was explored. METHODS To obtain the best DART-orbitrap MS performance, stepwise optimization of instrumental parameter settings, such as ionization gas temperature and mass resolving power, was performed. The optimized method was applied to feed and bovine milk samples previously extracted following a QuEChERS-like strategy. RESULTS Most antiparasitic drugs could be analyzed following the described method. Positive DART ionization provided the protonated molecules [M+H]+; in negative DART ion mode, deprotonated molecules [M–H]– were observed. As an exception, polyether ionophores could be observed as the sodiated adducts [M+Na]+. Samples of milk and feed were extracted using a modified QuEChERS method for the determination of benzimidazoles and coccidiostats respectively and quantification was carried out by matrix-matched calibration curves. CONCLUSIONS The combination of an analysis time of less than 1 min per sample and the possibility to acquire accurate masses under high mass resolving power (HR) makes the DART-HRMS technique an effective tool for rapid qualitative screening of antiparasitic veterinary drugs. Additionally, the results obtained in this study demonstrated the feasibility of this approach to quantify target analytes at levels down to 1 µg kg–1 for benzimidazolic compounds in milk and 0.25 mg kg–1 for coccidiostats in chicken feed. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Evaluation of direct analysis in real time ionization–mass spectrometry (DART–MS) in fish metabolomics aimed to assess the response to dietary supplementation.\n \n \n \n \n\n\n \n Cajka, T.; Danhelova, H.; Vavrecka, A.; Riddellova, K.; Kocourek, V.; Vacha, F.; and Hajslova, J.\n\n\n \n\n\n\n Talanta, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cajka_evaluation_2013,\n\ttitle = {Evaluation of direct analysis in real time ionization–mass spectrometry ({DART}–{MS}) in fish metabolomics aimed to assess the response to dietary supplementation},\n\tissn = {0039-9140},\n\turl = {http://www.sciencedirect.com/science/article/pii/S003991401300307X},\n\tdoi = {10.1016/j.talanta.2013.04.025},\n\tabstract = {Abstract \nAmbient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium-high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a rapid tool for metabolomic fingerprinting to study the effects of supplemental feeding with cereals (triticale) on the composition of muscle metabolites of common carp (Cyprinus carpio L.). \n \nFirst, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from common carp muscle. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. Next, the metabolomic fingerprints (mass spectra) of a large set of common carp muscle extracts were acquired. Finally, the experimental data were statistically evaluated using principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). \n \nUsing this approach, differentiation of common carp muscle in response to dietary supplementation (feeding with and without cereals) was feasible. Correct classification was obtained based on the assessment of polar and as well as non-polar extracts fingerprints. The current study showed that DART–TOFMS metabolomic fingerprinting represents a rapid and powerful analytical strategy enabling differentiation of common carp muscles according to feeding history by recording metabolomic fingerprints of ionizable components under the conditions of ambient MS.},\n\tnumber = {0},\n\tjournal = {Talanta},\n\tauthor = {Cajka, Tomas and Danhelova, Hana and Vavrecka, Antonin and Riddellova, Katerina and Kocourek, Vladimir and Vacha, Frantisek and Hajslova, Jana},\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time (DART), Feeding, Fish, Metabolomic fingerprinting, mass spectrometry},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium-high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a rapid tool for metabolomic fingerprinting to study the effects of supplemental feeding with cereals (triticale) on the composition of muscle metabolites of common carp (Cyprinus carpio L.). First, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from common carp muscle. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. Next, the metabolomic fingerprints (mass spectra) of a large set of common carp muscle extracts were acquired. Finally, the experimental data were statistically evaluated using principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). Using this approach, differentiation of common carp muscle in response to dietary supplementation (feeding with and without cereals) was feasible. Correct classification was obtained based on the assessment of polar and as well as non-polar extracts fingerprints. The current study showed that DART–TOFMS metabolomic fingerprinting represents a rapid and powerful analytical strategy enabling differentiation of common carp muscles according to feeding history by recording metabolomic fingerprints of ionizable components under the conditions of ambient MS.\n
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\n \n\n \n \n \n \n \n \n Electro-Thermal Vaporization Direct Analysis in Real Time-Mass Spectrometry for Water Contaminant Analysis during Space Missions.\n \n \n \n \n\n\n \n Dwivedi, P.; Gazda, D. B.; Keelor, J. D.; Limero, T. F.; Wallace, W. T.; Macatangay, A. V.; and Fernández, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 85(20): 9898–9906. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Electro-ThermalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{dwivedi_electro-thermal_2013,\n\ttitle = {Electro-{Thermal} {Vaporization} {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry} for {Water} {Contaminant} {Analysis} during {Space} {Missions}},\n\tvolume = {85},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac402365k},\n\tdoi = {10.1021/ac402365k},\n\tabstract = {The development of a direct analysis in real time-mass spectrometry (DART-MS) method and first prototype vaporizer for the detection of low molecular weight (?30?100 Da) contaminants representative of those detected in water samples from the International Space Station is reported. A temperature-programmable, electro-thermal vaporizer (ETV) was designed, constructed, and evaluated as a sampling interface for DART-MS. The ETV facilitates analysis of water samples with minimum user intervention while maximizing analytical sensitivity and sample throughput. The integrated DART-ETV-MS methodology was evaluated in both positive and negative ion modes to (1) determine experimental conditions suitable for coupling DART with ETV as a sample inlet and ionization platform for time-of-flight MS, (2) to identify analyte response ions, (3) to determine the detection limit and dynamic range for target analyte measurement, and (4) to determine the reproducibility of measurements made with the method when using manual sample introduction into the vaporizer. Nitrogen was used as the DART working gas, and the target analytes chosen for the study were ethyl acetate, acetone, acetaldehyde, ethanol, ethylene glycol, dimethylsilanediol, formaldehyde, isopropanol, methanol, methylethyl ketone, methylsulfone, propylene glycol, and trimethylsilanol.},\n\tnumber = {20},\n\turldate = {2013-11-25},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Dwivedi, Prabha and Gazda, Daniel B. and Keelor, Joel D. and Limero, Thomas F. and Wallace, William T. and Macatangay, Ariel V. and Fernández, Facundo M.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {9898--9906},\n}\n\n\n\n
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\n The development of a direct analysis in real time-mass spectrometry (DART-MS) method and first prototype vaporizer for the detection of low molecular weight (?30?100 Da) contaminants representative of those detected in water samples from the International Space Station is reported. A temperature-programmable, electro-thermal vaporizer (ETV) was designed, constructed, and evaluated as a sampling interface for DART-MS. The ETV facilitates analysis of water samples with minimum user intervention while maximizing analytical sensitivity and sample throughput. The integrated DART-ETV-MS methodology was evaluated in both positive and negative ion modes to (1) determine experimental conditions suitable for coupling DART with ETV as a sample inlet and ionization platform for time-of-flight MS, (2) to identify analyte response ions, (3) to determine the detection limit and dynamic range for target analyte measurement, and (4) to determine the reproducibility of measurements made with the method when using manual sample introduction into the vaporizer. Nitrogen was used as the DART working gas, and the target analytes chosen for the study were ethyl acetate, acetone, acetaldehyde, ethanol, ethylene glycol, dimethylsilanediol, formaldehyde, isopropanol, methanol, methylethyl ketone, methylsulfone, propylene glycol, and trimethylsilanol.\n
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\n \n\n \n \n \n \n \n \n Determination of cocaine and methadone in urine samples by thin-film solid-phase microextraction and direct analysis in real time (DART) coupled with tandem mass spectrometry.\n \n \n \n \n\n\n \n Rodriguez-Lafuente, A.; Mirnaghi, F.; and Pawliszyn, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–5. May 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{rodriguez-lafuente_determination_2013,\n\ttitle = {Determination of cocaine and methadone in urine samples by thin-film solid-phase microextraction and direct analysis in real time ({DART}) coupled with tandem mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6993-z},\n\tdoi = {10.1007/s00216-013-6993-z},\n\tabstract = {The use of thin-film solid-phase microextraction (SPME) as the sampling preparation step before direct analysis in real time (DART) was evaluated for the determination of two prohibited doping substances, cocaine and methadone, in urine samples. Results showed that thin-film SPME improves the detectability of these compounds: signal-to-blank ratios of 5 (cocaine) and 13 (methadone) were obtained in the analysis of 0.5 ng/ml in human urine. Thin-film SPME also provides efficient sample cleanup, avoiding contamination of the ion source by salt residues from the urine samples. Extraction time was established in 10 min, thus providing relatively short analysis time and high throughput when combined with a 96-well shaker and coupled with DART technique.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Rodriguez-Lafuente, Angel and Mirnaghi, FatemehS. and Pawliszyn, Janusz},\n\tmonth = may,\n\tyear = {2013},\n\tkeywords = {DART, Doping, Thin-film SPME, Urine},\n\tpages = {1--5},\n}\n\n\n\n
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\n The use of thin-film solid-phase microextraction (SPME) as the sampling preparation step before direct analysis in real time (DART) was evaluated for the determination of two prohibited doping substances, cocaine and methadone, in urine samples. Results showed that thin-film SPME improves the detectability of these compounds: signal-to-blank ratios of 5 (cocaine) and 13 (methadone) were obtained in the analysis of 0.5 ng/ml in human urine. Thin-film SPME also provides efficient sample cleanup, avoiding contamination of the ion source by salt residues from the urine samples. Extraction time was established in 10 min, thus providing relatively short analysis time and high throughput when combined with a 96-well shaker and coupled with DART technique.\n
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\n \n\n \n \n \n \n \n \n Development of a rapid screening method to determine primary aromatic amines in kitchen utensils using direct analysis in real time mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Paseiro-Cerrato, R.; Noonan, G. O.; and Begley, T. H.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A,null–null. November 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DevelopmentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{paseiro-cerrato_development_2013,\n\ttitle = {Development of a rapid screening method to determine primary aromatic amines in kitchen utensils using direct analysis in real time mass spectrometry ({DART}-{MS})},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2013.867366},\n\tdoi = {10.1080/19440049.2013.867366},\n\tabstract = {Primary aromatic amines (PAAs) are a group of substances with undesirable health effects, that are used in a variety of commercial products. Several recent studies, using a number of screening and confirmatory methods, have reported the migration of PAAs from some kitchen utensils into acetic acid 3\\% (w/v). Many of these methods require significant sample preparation, therefore the aim of this work was to determine if direct analysis in real time mass spectrometry (DART-MS) could be utilized as a rapid screening tool for the determination of PAAs in kitchen utensils. DART-MS results from direct analysis of the utensil have been compared with results of PAA migration by ultra high performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) method. The UPLC-MS/MS method had excellent linearity, appropriate sensitivity (LOD ≤ 1.5 µg L?1; LOQ ≤ 4.5 µg L?1), repeatability from 2.4 to 13.2\\% and acceptable recoveries. DART-MS results were in good agreement with UPLC-MS/MS data, with 100\\% of non-compliant (PAA positive) samples successfully identified by DART-MS.},\n\turldate = {2013-11-27},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Paseiro-Cerrato, R. and Noonan, G. O. and Begley, T. H.},\n\tmonth = nov,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
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\n Primary aromatic amines (PAAs) are a group of substances with undesirable health effects, that are used in a variety of commercial products. Several recent studies, using a number of screening and confirmatory methods, have reported the migration of PAAs from some kitchen utensils into acetic acid 3% (w/v). Many of these methods require significant sample preparation, therefore the aim of this work was to determine if direct analysis in real time mass spectrometry (DART-MS) could be utilized as a rapid screening tool for the determination of PAAs in kitchen utensils. DART-MS results from direct analysis of the utensil have been compared with results of PAA migration by ultra high performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) method. The UPLC-MS/MS method had excellent linearity, appropriate sensitivity (LOD ≤ 1.5 µg L?1; LOQ ≤ 4.5 µg L?1), repeatability from 2.4 to 13.2% and acceptable recoveries. DART-MS results were in good agreement with UPLC-MS/MS data, with 100% of non-compliant (PAA positive) samples successfully identified by DART-MS.\n
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\n \n\n \n \n \n \n \n \n Detection of drugs in latent fingermarks by two mass spectrometric methods.\n \n \n \n \n\n\n \n Lim, A. Y.; Rowell, F J; Elumbaring-Salazar, C. G.; Loke, J.; and Ma, J.\n\n\n \n\n\n\n Analytical Methods. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lim_detection_2013,\n\ttitle = {Detection of drugs in latent fingermarks by two mass spectrometric methods},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY40538A},\n\tdoi = {10.1039/C3AY40538A},\n\tabstract = {The ability of two mass spectrometric methods, surface assisted laser desorption ionization mass spectrometry (SALDI-MS) and direct analysis in real time mass spectrometry (DART-MS), to detect the presence of 5 drugs in latent fingermarks has been examined. It was found that each drug could be detected with good sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-MS. In contrast, for latent marks lifted from 3 surfaces (ceramic tile, wood laminate and backing of adhesive tape), no drug could be detected in dusted marks on the surface of a commercial lifting tape by DART-MS due to high background interference from the tape material, whereas all the drugs could be detected by SALDI-MS on equivalent marks. Also, it was demonstrated that drug-spiked latent fingermarks pre-dusted with regular fingerprint powder and lifted using conventional lifting tape could be redeveloped with carbon black doped silica particles to enable MS interrogation via SALDI-MS.},\n\tjournal = {Analytical Methods},\n\tauthor = {Lim, Angelina Yimei and Rowell, F J and Elumbaring-Salazar, Cheryl Grace and Loke, Jason and Ma, Jan},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n The ability of two mass spectrometric methods, surface assisted laser desorption ionization mass spectrometry (SALDI-MS) and direct analysis in real time mass spectrometry (DART-MS), to detect the presence of 5 drugs in latent fingermarks has been examined. It was found that each drug could be detected with good sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-MS. In contrast, for latent marks lifted from 3 surfaces (ceramic tile, wood laminate and backing of adhesive tape), no drug could be detected in dusted marks on the surface of a commercial lifting tape by DART-MS due to high background interference from the tape material, whereas all the drugs could be detected by SALDI-MS on equivalent marks. Also, it was demonstrated that drug-spiked latent fingermarks pre-dusted with regular fingerprint powder and lifted using conventional lifting tape could be redeveloped with carbon black doped silica particles to enable MS interrogation via SALDI-MS.\n
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\n \n\n \n \n \n \n \n \n The use HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS for rapid analysis of degradation by oxidation and sonication of an azo dye.\n \n \n \n \n\n\n \n Djelal, H.; Cornée, C.; Tartivel, R.; Lavastre, O.; and Amrane, A.\n\n\n \n\n\n\n Arabian Journal of Chemistry, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{djelal_use_2013,\n\ttitle = {The use {HPTLC} and {Direct} {Analysis} in {Real} {Time}-{Of}-{Flight} {Mass} {Spectrometry} {DART}-{TOF}-{MS} for rapid analysis of degradation by oxidation and sonication of an azo dye},\n\tissn = {1878-5352},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1878535213001676},\n\tdoi = {10.1016/j.arabjc.2013.06.003},\n\tabstract = {Abstract \nAdvanced oxidation processes are efficient for the removal of recalcitrant compounds, like azo-dyes. However, the intermediates produced during their degradation can be more toxic than the parent compounds. Improving the knowledge concerning the degradation pathways may be therefore helpful to optimize the process. In this aim, HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS were considered and applied to analyze the sono-oxidation of an azo dye, methyl red sodium salt (MRSS) as a model compound. Initial and final UV-Vis spectra showed a clear disappearance of the maximum absorption peak, but shows limit since it cannot allow by-products identification. MRSS degradation was confirmed by HPTLC, which also confirmed that MRSS degradation was mainly due to oxidation, while in the considered experimental conditions the sonication effect appeared negligible. Three major peaks were observed by DART-TOF-MS after MRSS oxidation, m/z=139.002, m/z=223.073 and m/z=279.137, Relative abundance of m/z=139.002, which was much higher after oxidation, tends to prove that a large proportion of initial oxydized MRSS was fragmented. The MRSS m/z = 270.078. The coupling of HPTLC and DART-TOF-MS may be subsequently considered to identify the oxidation reaction products.},\n\tnumber = {0},\n\tjournal = {Arabian Journal of Chemistry},\n\tauthor = {Djelal, Hayet and Cornée, Carole and Tartivel, Ronan and Lavastre, Olivier and Amrane, Abdeltif},\n\tyear = {2013},\n\tkeywords = {Azo dyes, DART-TOF-MS, HPTLC, MRSS, Sono-oxidation},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Advanced oxidation processes are efficient for the removal of recalcitrant compounds, like azo-dyes. However, the intermediates produced during their degradation can be more toxic than the parent compounds. Improving the knowledge concerning the degradation pathways may be therefore helpful to optimize the process. In this aim, HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS were considered and applied to analyze the sono-oxidation of an azo dye, methyl red sodium salt (MRSS) as a model compound. Initial and final UV-Vis spectra showed a clear disappearance of the maximum absorption peak, but shows limit since it cannot allow by-products identification. MRSS degradation was confirmed by HPTLC, which also confirmed that MRSS degradation was mainly due to oxidation, while in the considered experimental conditions the sonication effect appeared negligible. Three major peaks were observed by DART-TOF-MS after MRSS oxidation, m/z=139.002, m/z=223.073 and m/z=279.137, Relative abundance of m/z=139.002, which was much higher after oxidation, tends to prove that a large proportion of initial oxydized MRSS was fragmented. The MRSS m/z = 270.078. The coupling of HPTLC and DART-TOF-MS may be subsequently considered to identify the oxidation reaction products.\n
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\n \n\n \n \n \n \n \n \n Characterization of Blood in an Encrustation on an African Mask: Spectroscopic and Direct Analysis in Real Time Mass Spectrometric Identification of Haem.\n \n \n \n \n\n\n \n Fraser, D.; Selvius DeRoo, C.; Cody, R. B; and Armitage, R. A.\n\n\n \n\n\n\n Analyst. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fraser_characterization_2013,\n\ttitle = {Characterization of {Blood} in an {Encrustation} on an {African} {Mask}: {Spectroscopic} and {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometric} {Identification} of {Haem}},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00633F},\n\tdoi = {10.1039/C3AN00633F},\n\tabstract = {Prior to exhibiting an African Komo mask from the collections of the Detroit Institute of Arts, a multianalytical approach was undertaken to characterize the flaking encrusted coating on the surface of the mask. Preliminary XRF and FTIR examination of the coating on the Komo mask revealed the presence of significant quantities of iron and protein, possibly indicating the presence of blood. Raman spectroscopy showed evidence for the porphyrin structure of haem as well. To confirm that blood was indeed present in the coating, we developed a novel method for identifying the haem moiety from blood by use of in-situ methylation and direct analysis in real time mass spectrometry (DART-MS). Following a denaturing step with formic acid, the resulting solution was combined with an excess of phenyltrimethylammonium hydroxide to promote desorption, applied to a melting point tube, and placed into the Direct Analysis in Real Time ion source gas stream at 550 [degree]C. The permethylated haem ion (m/z 644.208) from myoglobin, haemoglobin, fresh blood, and blood aged in the laboratory for 10 years was readily observed above the background. By the described DART-TOF-MS method, permethylated haem was positively identified in the mask coating, confirming the presence of blood. This method has obvious utility in forensic science beyond that for identifying blood incorporated in cultural heritage materials.},\n\tjournal = {Analyst},\n\tauthor = {Fraser, Daniel and Selvius DeRoo, Cathy and Cody, Robert B and Armitage, Ruth Ann},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Prior to exhibiting an African Komo mask from the collections of the Detroit Institute of Arts, a multianalytical approach was undertaken to characterize the flaking encrusted coating on the surface of the mask. Preliminary XRF and FTIR examination of the coating on the Komo mask revealed the presence of significant quantities of iron and protein, possibly indicating the presence of blood. Raman spectroscopy showed evidence for the porphyrin structure of haem as well. To confirm that blood was indeed present in the coating, we developed a novel method for identifying the haem moiety from blood by use of in-situ methylation and direct analysis in real time mass spectrometry (DART-MS). Following a denaturing step with formic acid, the resulting solution was combined with an excess of phenyltrimethylammonium hydroxide to promote desorption, applied to a melting point tube, and placed into the Direct Analysis in Real Time ion source gas stream at 550 [degree]C. The permethylated haem ion (m/z 644.208) from myoglobin, haemoglobin, fresh blood, and blood aged in the laboratory for 10 years was readily observed above the background. By the described DART-TOF-MS method, permethylated haem was positively identified in the mask coating, confirming the presence of blood. This method has obvious utility in forensic science beyond that for identifying blood incorporated in cultural heritage materials.\n
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\n \n\n \n \n \n \n \n What Is the Opposite of Pandora’s Box? Direct Analysis, Ambient Ionization, and a New Generation of Atmospheric Pressure Ion Sources.\n \n \n \n\n\n \n Cody, R. B.\n\n\n \n\n\n\n Mass Spectrometry, 2(Special_Issue): S0007–S0007. 2013.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cody_what_2013,\n\ttitle = {What {Is} the {Opposite} of {Pandora}’s {Box}? {Direct} {Analysis}, {Ambient} {Ionization}, and a {New} {Generation} of {Atmospheric} {Pressure} {Ion} {Sources}},\n\tvolume = {2},\n\tabstract = {The introduction of DART and DESI sources approximately seven years ago led to the development of a new series of atmospheric pressure ion sources referred to as “ambient ionization” sources. These fall into two major categories: spray techniques like DESI or plasma techniques like DART. The selectivity of “direct ionization,” meaning analysis without chromatography and with little or no sample preparation, depends on the mass spectrometer selectivity. Although high resolution and tandem mass spectrometry are valuable tools, rapid and simple sample preparation methods can improve the utility of ambient ionization methods. The concept of ambient ionization has led to the realization that there are many more ways to form ions than might be expected. An interesting example is the use of a flint-and-steel spark source to generate ions from compounds such as phenolphthalein and Gramicidin S.},\n\tnumber = {Special\\_Issue},\n\tjournal = {Mass Spectrometry},\n\tauthor = {Cody, Robert B.},\n\tyear = {2013},\n\tpages = {S0007--S0007},\n}\n\n\n\n
\n
\n\n\n
\n The introduction of DART and DESI sources approximately seven years ago led to the development of a new series of atmospheric pressure ion sources referred to as “ambient ionization” sources. These fall into two major categories: spray techniques like DESI or plasma techniques like DART. The selectivity of “direct ionization,” meaning analysis without chromatography and with little or no sample preparation, depends on the mass spectrometer selectivity. Although high resolution and tandem mass spectrometry are valuable tools, rapid and simple sample preparation methods can improve the utility of ambient ionization methods. The concept of ambient ionization has led to the realization that there are many more ways to form ions than might be expected. An interesting example is the use of a flint-and-steel spark source to generate ions from compounds such as phenolphthalein and Gramicidin S.\n
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\n \n\n \n \n \n \n \n \n Trace analysis of energetic materials via direct analyte-probed nanoextraction coupled to direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Clemons, K.; Dake, J.; Sisco, E.; and Verbeck IV, G. F.\n\n\n \n\n\n\n Forensic Science International, 231(1–3): 98–101. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"TracePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{clemons_trace_2013,\n\ttitle = {Trace analysis of energetic materials via direct analyte-probed nanoextraction coupled to direct analysis in real time mass spectrometry},\n\tvolume = {231},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813002454},\n\tdoi = {10.1016/j.forsciint.2013.04.022},\n\tabstract = {Abstract \nDirect analysis in real time mass spectrometry (DART-MS) has proven to be a useful forensic tool for the trace analysis of energetic materials. While other techniques for detecting trace amounts of explosives involve extraction, derivatization, solvent exchange, or sample clean-up, DART-MS requires none of these. Typical DART-MS analyses directly from a solid sample or from a swab have been quite successful; however, these methods may not always be an optimal sampling technique in a forensic setting. For example, if the sample were only located in an area which included a latent fingerprint of interest, direct DART-MS analysis or the use of a swab would almost certainly destroy the print. To avoid ruining such potentially invaluable evidence, another method has been developed which will leave the fingerprint virtually untouched. Direct analyte-probed nanoextraction coupled to nanospray ionization-mass spectrometry (DAPNe–NSI-MS) has demonstrated excellent sensitivity and repeatability in forensic analyses of trace amounts of illicit drugs from various types of surfaces. This technique employs a nanomanipulator in conjunction with bright-field microscopy to extract single particles from a surface of interest and has provided a limit of detection of 300 attograms for caffeine. Combining DAPNe with DART-MS provides another level of flexibility in forensic analysis, and has proven to be a sufficient detection method for trinitrotoluene (TNT), RDX, and 1-methylaminoanthraquinone (MAAQ).},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Clemons, Kristina and Dake, Jeffrey and Sisco, Edward and Verbeck IV, Guido F.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Direct analyte-probed nanoextraction, Explosives, Latent fingerprint, forensic science, mass spectrometry},\n\tpages = {98--101},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Abstract Direct analysis in real time mass spectrometry (DART-MS) has proven to be a useful forensic tool for the trace analysis of energetic materials. While other techniques for detecting trace amounts of explosives involve extraction, derivatization, solvent exchange, or sample clean-up, DART-MS requires none of these. Typical DART-MS analyses directly from a solid sample or from a swab have been quite successful; however, these methods may not always be an optimal sampling technique in a forensic setting. For example, if the sample were only located in an area which included a latent fingerprint of interest, direct DART-MS analysis or the use of a swab would almost certainly destroy the print. To avoid ruining such potentially invaluable evidence, another method has been developed which will leave the fingerprint virtually untouched. Direct analyte-probed nanoextraction coupled to nanospray ionization-mass spectrometry (DAPNe–NSI-MS) has demonstrated excellent sensitivity and repeatability in forensic analyses of trace amounts of illicit drugs from various types of surfaces. This technique employs a nanomanipulator in conjunction with bright-field microscopy to extract single particles from a surface of interest and has provided a limit of detection of 300 attograms for caffeine. Combining DAPNe with DART-MS provides another level of flexibility in forensic analysis, and has proven to be a sufficient detection method for trinitrotoluene (TNT), RDX, and 1-methylaminoanthraquinone (MAAQ).\n
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\n \n\n \n \n \n \n \n \n Newborn screening of phenylketonuria using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Wang, C.; Zhu, H.; Cai, Z.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. February 2013.\n \n\n\n\n
\n\n\n\n \n \n \"NewbornPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wang_newborn_2013,\n\ttitle = {Newborn screening of phenylketonuria using direct analysis in real time ({DART}) mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6713-8},\n\tdoi = {10.1007/s00216-013-6713-8},\n\tabstract = {Phenylketonuria (PKU) is commonly included in the newborn screening panel of most countries, with various techniques being used for quantification of l-phenylalanine (Phe). To diagnose PKU as early as possible in newborn screening, a rapid and simple method of analysis was developed. Using direct analysis in real time (DART) ionization coupled with triple-quadrupole tandem mass spectrometry (TQ-MS/MS) and with use of a 12 DIP-it tip scanner autosampler in positive ion mode, we analyzed dried blood spot (DBS) samples from PKU newborns. The concentration of Phe was determined using multiple reaction monitoring mode with the nondeuterated internal standard N,N-dimethylphenylalanine. The results of the analysis of DBS samples from newborns indicated that the DART-TQ-MS/MS method is fast, accurate, and reproducible. The results prove that this assay as a newborn screen for PKU can be performed in 18 s per sample for the quantification of Phe in DBS samples. DART-TQ-MS/MS analysis of the Phe concentration in DBS samples allowed us to screen newborns for PKU. This innovative protocol is rapid and can be effectively applied on a routine basis to analyze a large number of samples in PKU newborn screening and PKU patient monitoring.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Wang, Chunyan and Zhu, Hongbin and Cai, Zongwei and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tmonth = feb,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time (DART) triple-quadrupole tandem mass spectrometry, Dried blood spot, Phenylalanine, Phenylketonuria},\n\tpages = {1--6},\n}\n\n\n\n
\n
\n\n\n
\n Phenylketonuria (PKU) is commonly included in the newborn screening panel of most countries, with various techniques being used for quantification of l-phenylalanine (Phe). To diagnose PKU as early as possible in newborn screening, a rapid and simple method of analysis was developed. Using direct analysis in real time (DART) ionization coupled with triple-quadrupole tandem mass spectrometry (TQ-MS/MS) and with use of a 12 DIP-it tip scanner autosampler in positive ion mode, we analyzed dried blood spot (DBS) samples from PKU newborns. The concentration of Phe was determined using multiple reaction monitoring mode with the nondeuterated internal standard N,N-dimethylphenylalanine. The results of the analysis of DBS samples from newborns indicated that the DART-TQ-MS/MS method is fast, accurate, and reproducible. The results prove that this assay as a newborn screen for PKU can be performed in 18 s per sample for the quantification of Phe in DBS samples. DART-TQ-MS/MS analysis of the Phe concentration in DBS samples allowed us to screen newborns for PKU. This innovative protocol is rapid and can be effectively applied on a routine basis to analyze a large number of samples in PKU newborn screening and PKU patient monitoring.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) Analysis of Skin Metabolome Changes in the Ultraviolet B-Induced Mice.\n \n \n \n \n\n\n \n Park, H. M.; Kim, H. J.; Jang, Y. P.; and Kim, S. Y.\n\n\n \n\n\n\n Biomolecules and Therapeutics, 21(6): 470–475. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{park_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) {Analysis} of {Skin} {Metabolome} {Changes} in the {Ultraviolet} {B}-{Induced} {Mice}},\n\tvolume = {21},\n\turl = {http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3879919/},\n\tabstract = {Ultraviolet (UV) radiation is a major environmental factor that leads to acute and chronic reactions in the human skin. UV exposure induces wrinkle formation, DNA damage, and generation of reactive oxygen species (ROS). Most mechanistic studies of skin physiology and pharmacology related with UV-irradiated skin have focused on proteins and their related gene expression or single- targeted small molecules. The present study identified and analyzed the alteration of skin metabolites following UVB irradiation and topical retinyl palmitate (RP, 5\\%) treatment in hairless mice using direct analysis in real time (DART) time-of-flight mass spectrometry (TOF-MS) with multivariate analysis. Under the negative ion mode, the DART ion source successfully ionized various fatty acids including palmitoleic and linolenic acid. From DART-TOF-MS fingerprints measured in positive mode, the prominent dehydrated ion peak (m/z: 369, M+H-H2O) of cholesterol was characterized in all three groups. In positive mode, the discrimination among three groups was much clearer than that in negative mode by using multivariate analysis of orthogonal partial-least squares-discriminant analysis (OPLS-DA). DART-TOF-MS can ionize various small organic molecules in living tissues and is an efficient alternative analytical tool for acquiring full chemical fingerprints from living tissues without requiring sample preparation. DART-MS measurement of skin tissue with multivariate analysis proved to be a powerful method to discriminate between experimental groups and to find biomarkers for various experiment models in skin dermatological research.},\n\tnumber = {6},\n\tjournal = {Biomolecules and Therapeutics},\n\tauthor = {Park, Hye Min and Kim, Hye Jin and Jang, Young Pyo and Kim, Sun Yeou},\n\tyear = {2013},\n\tpages = {470--475},\n}\n\n\n\n
\n
\n\n\n
\n Ultraviolet (UV) radiation is a major environmental factor that leads to acute and chronic reactions in the human skin. UV exposure induces wrinkle formation, DNA damage, and generation of reactive oxygen species (ROS). Most mechanistic studies of skin physiology and pharmacology related with UV-irradiated skin have focused on proteins and their related gene expression or single- targeted small molecules. The present study identified and analyzed the alteration of skin metabolites following UVB irradiation and topical retinyl palmitate (RP, 5%) treatment in hairless mice using direct analysis in real time (DART) time-of-flight mass spectrometry (TOF-MS) with multivariate analysis. Under the negative ion mode, the DART ion source successfully ionized various fatty acids including palmitoleic and linolenic acid. From DART-TOF-MS fingerprints measured in positive mode, the prominent dehydrated ion peak (m/z: 369, M+H-H2O) of cholesterol was characterized in all three groups. In positive mode, the discrimination among three groups was much clearer than that in negative mode by using multivariate analysis of orthogonal partial-least squares-discriminant analysis (OPLS-DA). DART-TOF-MS can ionize various small organic molecules in living tissues and is an efficient alternative analytical tool for acquiring full chemical fingerprints from living tissues without requiring sample preparation. DART-MS measurement of skin tissue with multivariate analysis proved to be a powerful method to discriminate between experimental groups and to find biomarkers for various experiment models in skin dermatological research.\n
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\n \n\n \n \n \n \n \n \n Polydimethylsiloxane-based wide-range mass calibration for direct analysis in real-time mass spectrometry.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. August 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Polydimethylsiloxane-basedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{gross_polydimethylsiloxane-based_2013,\n\ttitle = {Polydimethylsiloxane-based wide-range mass calibration for direct analysis in real-time mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-7287-1},\n\tdoi = {10.1007/s00216-013-7287-1},\n\tabstract = {Direct analysis in real-time mass spectrometry (DART-MS) is normally applied for small-molecule analysis up to about m/z 1,000. Here, for the analysis of polydimethylsiloxanes, high-mass capabilities expanding beyond m/z 3,000 are demonstrated. In addition, polydimethylsiloxanes provide an ideal mass calibration standard for positive-ion DART-MS. A mass reference list has been compiled to cover ions from m/z 200 up to m/z 2,600. Species with more than 20 silicon atoms exhibit increasingly broader isotopic patterns with decreasing abundances of the monoisotopic ions. The use of the first isotopic peaks for analyte ions above m/z 2,000 serves as a work-around and ensures easy and reproducible recognition of the reference peaks by the instrument data system. Here, the positive-ion DART mass spectra of polydimethylsiloxanes and the corresponding experimental procedures are described, and the mass reference list is provided.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = aug,\n\tyear = {2013},\n\tkeywords = {Accurate mass, Direct analysis in real time (DART), Mass calibration, Polymer analysis, Polysiloxanes, mass spectrometry},\n\tpages = {1--6},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real-time mass spectrometry (DART-MS) is normally applied for small-molecule analysis up to about m/z 1,000. Here, for the analysis of polydimethylsiloxanes, high-mass capabilities expanding beyond m/z 3,000 are demonstrated. In addition, polydimethylsiloxanes provide an ideal mass calibration standard for positive-ion DART-MS. A mass reference list has been compiled to cover ions from m/z 200 up to m/z 2,600. Species with more than 20 silicon atoms exhibit increasingly broader isotopic patterns with decreasing abundances of the monoisotopic ions. The use of the first isotopic peaks for analyte ions above m/z 2,000 serves as a work-around and ensures easy and reproducible recognition of the reference peaks by the instrument data system. Here, the positive-ion DART mass spectra of polydimethylsiloxanes and the corresponding experimental procedures are described, and the mass reference list is provided.\n
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\n \n\n \n \n \n \n \n \n Capabilities and limitations of direct analysis in real time orbitrap mass spectrometry and tandem mass spectrometry for the analysis of synthetic and natural polymers.\n \n \n \n \n\n\n \n Bridoux, M. C.; and Machuron-Mandard, X.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(18): 2057–2070. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CapabilitiesPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bridoux_capabilities_2013,\n\ttitle = {Capabilities and limitations of direct analysis in real time orbitrap mass spectrometry and tandem mass spectrometry for the analysis of synthetic and natural polymers},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6664},\n\tdoi = {10.1002/rcm.6664},\n\tabstract = {RATIONALE\n\nDespite the widespread use of direct analysis in real time mass spectrometry (DART-MS), its capabilities in terms of accessible mass range and the types of polymers that can be analysed are not well known. The goal of this work was to evaluate the capabilities and limitations of this ionization technique combined with orbitrap mass spectrometry and tandem mass spectrometry, for the characterization (structural and polydispersity metrics) of various synthetic and natural polymers.\n\nMETHODS\n\nThe capabilities and limitations of DART-MS (and -MS2), using an orbitrap mass spectrometer, for polymer analysis were evaluated using various industrial synthetic polymers and biopolymers. Stainless steel mesh screens secured on a movable rail were used as the sampling surface, onto which 5 μL of various polymers dissolved in tetrahydrofuran were added. Assignment of spectral features and calculation of molecular weight and polydispersity metrics were performed using Polymerix™ software and the results were compared with those obtained by gel-permeation chromatography (GPC).\n\nRESULTS\n\nProtonated oligomers and ammonium adducts were instantaneously detected as the major ionisation products in positive ion mode. Only perfluoropolyethers (PFPEs) were ionised in negative mode and detected as [M]–. ions. Only singly charged molecular species were observed for all oligomers under study, allowing for a rapid determination of the molecular weight and polydispersity metrics of polymers. At elevated DART gas temperatures (400–500°C) the molecular weight and polydispersity metrics compared fairly well with those obtained by GPC, with polymers whose masses ranged from 200 g.mol–1 to 4000 g.mol–1.\n\nCONCLUSIONS\n\nDART-MS allowed the direct and rapid analysis (mass spectra and tandem mass spectra of all the polymers were acquired in seconds) based on the exact masses of their [M+H]+ and [M+NH4]+ ions (in the positive mode) or [M]–. ions (for polymers having a high sensitivity toward electron-capture ionisation such as PFPEs), as well as the exact masses of their product ions, for both synthetic and natural polymers under ambient conditions without any sample pre-treatment. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {18},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Bridoux, Maxime C. and Machuron-Mandard, Xavier},\n\tyear = {2013},\n\tpages = {2057--2070},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Despite the widespread use of direct analysis in real time mass spectrometry (DART-MS), its capabilities in terms of accessible mass range and the types of polymers that can be analysed are not well known. The goal of this work was to evaluate the capabilities and limitations of this ionization technique combined with orbitrap mass spectrometry and tandem mass spectrometry, for the characterization (structural and polydispersity metrics) of various synthetic and natural polymers. METHODS The capabilities and limitations of DART-MS (and -MS2), using an orbitrap mass spectrometer, for polymer analysis were evaluated using various industrial synthetic polymers and biopolymers. Stainless steel mesh screens secured on a movable rail were used as the sampling surface, onto which 5 μL of various polymers dissolved in tetrahydrofuran were added. Assignment of spectral features and calculation of molecular weight and polydispersity metrics were performed using Polymerix™ software and the results were compared with those obtained by gel-permeation chromatography (GPC). RESULTS Protonated oligomers and ammonium adducts were instantaneously detected as the major ionisation products in positive ion mode. Only perfluoropolyethers (PFPEs) were ionised in negative mode and detected as [M]–. ions. Only singly charged molecular species were observed for all oligomers under study, allowing for a rapid determination of the molecular weight and polydispersity metrics of polymers. At elevated DART gas temperatures (400–500°C) the molecular weight and polydispersity metrics compared fairly well with those obtained by GPC, with polymers whose masses ranged from 200 g.mol–1 to 4000 g.mol–1. CONCLUSIONS DART-MS allowed the direct and rapid analysis (mass spectra and tandem mass spectra of all the polymers were acquired in seconds) based on the exact masses of their [M+H]+ and [M+NH4]+ ions (in the positive mode) or [M]–. ions (for polymers having a high sensitivity toward electron-capture ionisation such as PFPEs), as well as the exact masses of their product ions, for both synthetic and natural polymers under ambient conditions without any sample pre-treatment. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Rapid monitoring of heat-accelerated reactions in vegetable oils using direct analysis in real time ionization coupled with high resolution mass spectrometry.\n \n \n \n \n\n\n \n Vaclavik, L.; Belkova, B.; Reblova, Z.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Food Chemistry, 138(4): 2312–2320. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{vaclavik_rapid_2013,\n\ttitle = {Rapid monitoring of heat-accelerated reactions in vegetable oils using direct analysis in real time ionization coupled with high resolution mass spectrometry},\n\tvolume = {138},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814612019085},\n\tdoi = {10.1016/j.foodchem.2012.12.019},\n\tabstract = {Transmission-mode direct analysis in real time ionization coupled with high resolution mass spectrometry (TM-DART–HRMS) was used to monitor chemical changes in various vegetable oils (olive, rapeseed, soybean and sunflower oil) during their thermally-induced oxidation. This novel instrumental approach enabled rapid fingerprinting of examined samples and detection of numerous sample components, such as triacylglycerols (TAGs), phytosterols, free fatty acids (FFA), and their respective oxidation products. Mass spectra obtained from DART were processed with the use of principal component analysis (PCA) in order to assess the compositional differences between heated and non-heated samples. Good correlation was observed between the normalized intensities of the pre-selected ion corresponding to mono-oxidized TAG and ‘classic’ criterion represented by the levels of TAG polymers determined by high performance-size exclusion chromatography with refractometric detection (HP-SEC–RID).},\n\tnumber = {4},\n\tjournal = {Food Chemistry},\n\tauthor = {Vaclavik, Lukas and Belkova, Beverly and Reblova, Zuzana and Riddellova, Katerina and Hajslova, Jana},\n\tmonth = jun,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Heating, Oxidation, Vegetable oils, mass spectrometry},\n\tpages = {2312--2320},\n}\n\n\n\n
\n
\n\n\n
\n Transmission-mode direct analysis in real time ionization coupled with high resolution mass spectrometry (TM-DART–HRMS) was used to monitor chemical changes in various vegetable oils (olive, rapeseed, soybean and sunflower oil) during their thermally-induced oxidation. This novel instrumental approach enabled rapid fingerprinting of examined samples and detection of numerous sample components, such as triacylglycerols (TAGs), phytosterols, free fatty acids (FFA), and their respective oxidation products. Mass spectra obtained from DART were processed with the use of principal component analysis (PCA) in order to assess the compositional differences between heated and non-heated samples. Good correlation was observed between the normalized intensities of the pre-selected ion corresponding to mono-oxidized TAG and ‘classic’ criterion represented by the levels of TAG polymers determined by high performance-size exclusion chromatography with refractometric detection (HP-SEC–RID).\n
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\n \n\n \n \n \n \n \n \n Optimizing Accu Time-of-Flight/Direct Analysis in Real Time for Explosive Residue Analysis.\n \n \n \n \n\n\n \n Swider, J. R.\n\n\n \n\n\n\n Journal of Forensic Sciences,n/a–n/a. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{swider_optimizing_2013,\n\ttitle = {Optimizing {Accu} {Time}-of-{Flight}/{Direct} {Analysis} in {Real} {Time} for {Explosive} {Residue} {Analysis}},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12276},\n\tdoi = {10.1111/1556-4029.12276},\n\tabstract = {The use of a direct analysis in real time (DART) mass spectrometer (MS) instrument was optimized for 22 compounds of organic explosive residues to provide a guide for DART-MS users in rapid screening of explosive compounds. Samples were introduced as neat solutions and sequential dilutions to determine optimal instrument conditions and lowest concentration detectable. Most compounds were optimized to 250°C in the negative ion mode, and several compounds benefited from the addition of a chloride dopant from methylene chloride (amino-dinitrotoluenes, RDX, EGDN, and PETN). Few compounds were more sensitive in the positive ion mode (TEGDN, DEGDN, HNS, and DMNB). Mixtures of compounds were detected using clean room wipes, directly from their surfaces and from subsequent extractions. Compounds from the mixtures were also successfully detected in soil and from swipes of spiked surfaces. The instrument showed merit in detection of pg/μL solutions for most of the compounds and among the substrates tested.},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Swider, Joseph R.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Explosives, Time-of-flight, forensic science, mass spectrometry, residue},\n\tpages = {n/a--n/a},\n}\n\n\n\n
\n
\n\n\n
\n The use of a direct analysis in real time (DART) mass spectrometer (MS) instrument was optimized for 22 compounds of organic explosive residues to provide a guide for DART-MS users in rapid screening of explosive compounds. Samples were introduced as neat solutions and sequential dilutions to determine optimal instrument conditions and lowest concentration detectable. Most compounds were optimized to 250°C in the negative ion mode, and several compounds benefited from the addition of a chloride dopant from methylene chloride (amino-dinitrotoluenes, RDX, EGDN, and PETN). Few compounds were more sensitive in the positive ion mode (TEGDN, DEGDN, HNS, and DMNB). Mixtures of compounds were detected using clean room wipes, directly from their surfaces and from subsequent extractions. Compounds from the mixtures were also successfully detected in soil and from swipes of spiked surfaces. The instrument showed merit in detection of pg/μL solutions for most of the compounds and among the substrates tested.\n
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\n \n\n \n \n \n \n \n \n DART-MS as a Preliminary Screening Method for “Herbal Incense”: Chemical Analysis of Synthetic Cannabinoids.\n \n \n \n \n\n\n \n Lesiak, A. D.; Musah, R. A.; Domin, M. A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Journal of Forensic Sciences,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DART-MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{lesiak_dart-ms_2013,\n\ttitle = {{DART}-{MS} as a {Preliminary} {Screening} {Method} for “{Herbal} {Incense}”: {Chemical} {Analysis} of {Synthetic} {Cannabinoids}},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12354},\n\tdoi = {10.1111/1556-4029.12354},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) served as a method for rapid high-throughput screening of six commercially available “Spice” products, detecting various combinations of five synthetic cannabinoids. Direct analysis in real time is an ambient ionization process that, along with high mass accuracy time-of-flight (TOF)-MS to 0.0001 Da, was employed to establish the presence of cannabinoids. Mass spectra were acquired by simply suspending a small portion of sample between the ion source and the mass spectrometer inlet. The ability to test minute amounts of sample is a major advantage when very limited amounts of evidentiary material are available. In addition, reports are widespread regarding the testing backlogs that now exist because of the large influx of designer drugs. This method circumvents time-consuming sample extraction, derivatization, chromatographic, and other sample preparative steps required for analysis by more conventional mass spectrometric methods. Accordingly, the synthetic cannabinoids AM-2201, JWH-122, JWH-203, JWH-210, and RCS-4 were identified in commercially available herbal Spice products, singly and in tandem, at concentrations within the range of 4–141 mg/g of material. Direct analysis in real time mass spectrometry decreases the time necessary to triage analytical evidence, and therefore, it has the potential to contribute to backlog reduction and more timely criminal prosecution.},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Lesiak, Ashton D. and Musah, Rabi A. and Domin, Marek A. and Shepard, Jason R. E.},\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, cannabinoids, designer drugs, forensic science, mass spectrometry},\n\tpages = {n/a--n/a},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) served as a method for rapid high-throughput screening of six commercially available “Spice” products, detecting various combinations of five synthetic cannabinoids. Direct analysis in real time is an ambient ionization process that, along with high mass accuracy time-of-flight (TOF)-MS to 0.0001 Da, was employed to establish the presence of cannabinoids. Mass spectra were acquired by simply suspending a small portion of sample between the ion source and the mass spectrometer inlet. The ability to test minute amounts of sample is a major advantage when very limited amounts of evidentiary material are available. In addition, reports are widespread regarding the testing backlogs that now exist because of the large influx of designer drugs. This method circumvents time-consuming sample extraction, derivatization, chromatographic, and other sample preparative steps required for analysis by more conventional mass spectrometric methods. Accordingly, the synthetic cannabinoids AM-2201, JWH-122, JWH-203, JWH-210, and RCS-4 were identified in commercially available herbal Spice products, singly and in tandem, at concentrations within the range of 4–141 mg/g of material. Direct analysis in real time mass spectrometry decreases the time necessary to triage analytical evidence, and therefore, it has the potential to contribute to backlog reduction and more timely criminal prosecution.\n
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\n \n\n \n \n \n \n \n \n Transmission mode direct analysis in real time mass spectrometry for fast untargeted metabolic fingerprinting.\n \n \n \n \n\n\n \n Jones, C. M.; and Fernández, F. M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(12): 1311–1318. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"TransmissionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jones_transmission_2013,\n\ttitle = {Transmission mode direct analysis in real time mass spectrometry for fast untargeted metabolic fingerprinting},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6566},\n\tdoi = {10.1002/rcm.6566},\n\tabstract = {RATIONALE \n \nUntargeted metabolic fingerprinting is a discovery tool to better understand biochemical processes involved in detecting and characterizing disease states and responses to environmental stressors. Although current mass spectrometric (MS) methods are very powerful, there is a clear need for more rapid, high-throughput MS approaches for metabolomics studies. \n \nMETHODS \n \nA rapid metabolic fingerprinting method for human blood sera that utilizes a new transmission mode direct analysis in real time (TM-DART) sampling technique coupled with quadrupole time of flight mass spectrometry (QTOFMS) is presented. In this approach, the sample is deposited directly on a stainless steel mesh that is held in the ionization region by a custom-built module. As a result, the DART plasma gas stream interacts with the sample in a flow-through fashion, which maximizes the interaction between the sample and ionizing species and minimizes variance in sample positioning. \n \nRESULTS \n \nThe optimization of TM-DART parameters directly affecting metabolite desorption and ionization, such as sample position and ionizing gas desorption temperature, was critical in achieving high sensitivity and detecting a broad mass range of metabolites. Ramping the ionizing gas desorption temperature further enhanced analysis by adding a simple separation dimension to this ambient approach. In terms of reproducibility, TM-DART compared favorably with traditional probe mode (PM-) DART analysis, with coefficients of variation as low as 16\\%. The longer-lasting TM-DART signals enabled the acquisition of metabolite full scan and product ion accurate mass spectra in a single experiment, resulting in greater confidence in metabolite identification. \n \nCONCLUSIONS \n \nTM-DART MS proved to be a powerful analytical technique for rapid metabolome analysis of human blood sera. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {12},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Jones, Christina M. and Fernández, Facundo M.},\n\tmonth = jun,\n\tyear = {2013},\n\tpages = {1311--1318},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Untargeted metabolic fingerprinting is a discovery tool to better understand biochemical processes involved in detecting and characterizing disease states and responses to environmental stressors. Although current mass spectrometric (MS) methods are very powerful, there is a clear need for more rapid, high-throughput MS approaches for metabolomics studies. METHODS A rapid metabolic fingerprinting method for human blood sera that utilizes a new transmission mode direct analysis in real time (TM-DART) sampling technique coupled with quadrupole time of flight mass spectrometry (QTOFMS) is presented. In this approach, the sample is deposited directly on a stainless steel mesh that is held in the ionization region by a custom-built module. As a result, the DART plasma gas stream interacts with the sample in a flow-through fashion, which maximizes the interaction between the sample and ionizing species and minimizes variance in sample positioning. RESULTS The optimization of TM-DART parameters directly affecting metabolite desorption and ionization, such as sample position and ionizing gas desorption temperature, was critical in achieving high sensitivity and detecting a broad mass range of metabolites. Ramping the ionizing gas desorption temperature further enhanced analysis by adding a simple separation dimension to this ambient approach. In terms of reproducibility, TM-DART compared favorably with traditional probe mode (PM-) DART analysis, with coefficients of variation as low as 16%. The longer-lasting TM-DART signals enabled the acquisition of metabolite full scan and product ion accurate mass spectra in a single experiment, resulting in greater confidence in metabolite identification. CONCLUSIONS TM-DART MS proved to be a powerful analytical technique for rapid metabolome analysis of human blood sera. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Evaluation of the Oxidation of Rice Husks with Sodium Hypochlorite Using Gas Chromatography-Mass Spectrometry and Direct Analysis in Real Time-Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, S.; Fan, X.; Zheng, A.; Lu, Y.; Wei, X.; Zhao, Y.; Wang, R.; Dou, Y.; Wang, Y.; Wang, C.; Zhang, F.; Shen, Y.; Li, C.; Liu, Z.; and Liu, D.\n\n\n \n\n\n\n Analytical Letters,null–null. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_evaluation_2013,\n\ttitle = {Evaluation of the {Oxidation} of {Rice} {Husks} with {Sodium} {Hypochlorite} {Using} {Gas} {Chromatography}-{Mass} {Spectrometry} and {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry}},\n\tissn = {0003-2719},\n\turl = {http://dx.doi.org/10.1080/00032719.2013.831425},\n\tdoi = {10.1080/00032719.2013.831425},\n\tabstract = {Rice husk powder was oxidized in aqueous sodium hypochlorite solution under mild conditions with different reaction time. Fourier transform infrared spectroscopy, gas chromatography-mass spectrometry (GC-MS), and direct analysis in real time-mass spectrometry (DART-MS) were used to analyze the oxidation products. Results showed that oxidation was a feasible way to depolymerize the macromolecules in the biomass and convert hydroxyl groups to carboxyl groups. In total, 113 organic compounds in oxidation products with molecular mass less than 500 Da were identified using GC-MS. As an ambient ionization technique, DART-MS was applied to the determination of biomass derivatives and revealed mass distribution and molecular structure information for the rice husk oxidation products.},\n\turldate = {2013-09-19},\n\tjournal = {Analytical Letters},\n\tauthor = {Wang, Shou-Ze and Fan, Xing and Zheng, Ai-Li and Lu, Yao and Wei, Xian-Yong and Zhao, Yun-Peng and Wang, Rui-Yu and Dou, You-Quan and Wang, Ying-Hua and Wang, Chu-Fan and Zhang, Fan and Shen, Yong and Li, Chun-Yan and Liu, Zheng and Liu, De-Ying},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
\n
\n\n\n
\n Rice husk powder was oxidized in aqueous sodium hypochlorite solution under mild conditions with different reaction time. Fourier transform infrared spectroscopy, gas chromatography-mass spectrometry (GC-MS), and direct analysis in real time-mass spectrometry (DART-MS) were used to analyze the oxidation products. Results showed that oxidation was a feasible way to depolymerize the macromolecules in the biomass and convert hydroxyl groups to carboxyl groups. In total, 113 organic compounds in oxidation products with molecular mass less than 500 Da were identified using GC-MS. As an ambient ionization technique, DART-MS was applied to the determination of biomass derivatives and revealed mass distribution and molecular structure information for the rice husk oxidation products.\n
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\n \n\n \n \n \n \n \n \n Monitoring batch-to-batch reproducibility using direct analysis in real time mass spectrometry and multivariate analysis: A case study on precipitation.\n \n \n \n \n\n\n \n Zeng, S.; Chen, T.; Wang, L.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 76(0): 87–95. March 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MonitoringPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zeng_monitoring_2013,\n\ttitle = {Monitoring batch-to-batch reproducibility using direct analysis in real time mass spectrometry and multivariate analysis: {A} case study on precipitation},\n\tvolume = {76},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708512006863},\n\tdoi = {10.1016/j.jpba.2012.12.014},\n\tabstract = {Batch-to-batch variability of traditional Chinese medicine (TCM) has already heavily limited its industrial development. By utilizing direct analysis in real time mass spectrometry (DART-MS) and multivariate statistical analysis, the present study introduced a novel and rapid methodology for TCM manufacturing process monitoring. Danshen alkaline precipitation was employed as an example operating unit to demonstrate the effectiveness of this new technique. A total of 15 batches run under normal operating conditions were used to develop a reference principal component analysis model and then enabled the establishment of multivariate control charts. Hotteling T2 and DModX charts were applied to examine batch-to-batch reproducibility of 12 test batches. Artificial variations including starting material change and process fault were identified, which was in a good agreement with conventional analysis result. Further understanding of the deviating process behavior was achieved by investigating the contribution plot of abnormal batches. The results showed that DART-MS, in conjunction with multivariate analysis, provided valuable information on model process and gave us a new perspective for TCM manufacturing process monitoring.},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Zeng, Shanshan and Chen, Teng and Wang, Lu and Qu, Haibin},\n\tmonth = mar,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Manufacturing process monitoring, Multivariate control charts, Traditional Chinese medicine, mass spectrometry},\n\tpages = {87--95},\n}\n\n\n\n
\n
\n\n\n
\n Batch-to-batch variability of traditional Chinese medicine (TCM) has already heavily limited its industrial development. By utilizing direct analysis in real time mass spectrometry (DART-MS) and multivariate statistical analysis, the present study introduced a novel and rapid methodology for TCM manufacturing process monitoring. Danshen alkaline precipitation was employed as an example operating unit to demonstrate the effectiveness of this new technique. A total of 15 batches run under normal operating conditions were used to develop a reference principal component analysis model and then enabled the establishment of multivariate control charts. Hotteling T2 and DModX charts were applied to examine batch-to-batch reproducibility of 12 test batches. Artificial variations including starting material change and process fault were identified, which was in a good agreement with conventional analysis result. Further understanding of the deviating process behavior was achieved by investigating the contribution plot of abnormal batches. The results showed that DART-MS, in conjunction with multivariate analysis, provided valuable information on model process and gave us a new perspective for TCM manufacturing process monitoring.\n
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\n \n\n \n \n \n \n \n \n A novel sampling method for identification of endogenous skin surface compounds by use of DART-MS and MALDI-MS.\n \n \n \n \n\n\n \n Mess, A.; Enthaler, B.; Fischer, M.; Rapp, C.; Pruns, J. K.; and Vietzke, J.\n\n\n \n\n\n\n Talanta, 103: 398–402. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{mess_novel_2013,\n\ttitle = {A novel sampling method for identification of endogenous skin surface compounds by use of {DART}-{MS} and {MALDI}-{MS}},\n\tvolume = {103},\n\tissn = {00399140},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0039914012009046},\n\tdoi = {10.1016/j.talanta.2012.10.073},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Talanta},\n\tauthor = {Mess, Aylin and Enthaler, Bernd and Fischer, Markus and Rapp, Claudius and Pruns, Julia K. and Vietzke, Jens-Peter},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {DART-MS, DIP-it samplers, MALDI-MS, Skin surface compounds},\n\tpages = {398--402},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Extraction-free In situ Derivatisation of Timosaponin AIII Using Direct Analysis in Real Time TOF/MS.\n \n \n \n \n\n\n \n Kim, H. J.; Park, S. R.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Extraction-freePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{kim_extraction-free_2013,\n\ttitle = {Extraction-free {In} situ {Derivatisation} of {Timosaponin} {AIII} {Using} {Direct} {Analysis} in {Real} {Time} {TOF}/{MS}},\n\tissn = {1099-1565},\n\turl = {http://dx.doi.org/10.1002/pca.2488},\n\tdoi = {10.1002/pca.2488},\n\tabstract = {Introduction\n\nDirect analysis in real time (DART) TOF/MS has been used for mass information of various non-polar phytochemicals in raw material with no sample preparation. However, low ionisation efficiency for polar compounds including glycosides limits its extensive use in the field of phytochemical analysis.\n\nObjective\n\nIn order to develop a direct analysis method for polar glycosides using in situ derivatisation, which improves ionisation efficiency of hydrophilic glycosides.\n\nMethod\n\nAnemarrhena Rhizoma was used as a model plant targeting on Timosaponin AIII utilising a Dip-It module. Permethylation was applied to the powdered raw material with tetramethylammonium hydroxide in front of a DART ion source. Also, DART TOF/MS combined with permethylation was applied to timosaponin AIII standard solution to obtain the limit of detection (LOD).\n\nResults\n\nIn situ methylation of timosaponin AIII and Anemarrhena Rhizoma raw material were successfully used to ionise the glycoside. The LOD was found to be in the range of 2.4–4.8 ng for permethylated timosaponin AIII and this level is four times higher than the range of the underivatisation analysis. Direct analysis of permethylated timosaponin from Anemarrhena Rhizoma was also successfully performed.\n\nConclusion\n\nA simple and quick derivatisation method with tetramethylammonium hydroxide was developed for the direct identification of a hydrophilic saponin from the plant tissue. Better ionisation efficiency conferred by in situ permethylation enabled ionisation of whole molecules of timosaponin AIII from the plant tissue. This simple analytical method will provide a solution to reduce tedious sample preparation steps, not only for non-polar but also hydrophilic natural products directly from the tissue. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Park, Se Ri and Jang, Young Pyo},\n\tyear = {2013},\n\tkeywords = {Anemarrhena asphodeloides Bunge, DART TOF/MS, in situ derivatisation, permethylation, timosaponin AIII},\n\tpages = {n/a--n/a},\n}\n\n\n\n
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\n Introduction Direct analysis in real time (DART) TOF/MS has been used for mass information of various non-polar phytochemicals in raw material with no sample preparation. However, low ionisation efficiency for polar compounds including glycosides limits its extensive use in the field of phytochemical analysis. Objective In order to develop a direct analysis method for polar glycosides using in situ derivatisation, which improves ionisation efficiency of hydrophilic glycosides. Method Anemarrhena Rhizoma was used as a model plant targeting on Timosaponin AIII utilising a Dip-It module. Permethylation was applied to the powdered raw material with tetramethylammonium hydroxide in front of a DART ion source. Also, DART TOF/MS combined with permethylation was applied to timosaponin AIII standard solution to obtain the limit of detection (LOD). Results In situ methylation of timosaponin AIII and Anemarrhena Rhizoma raw material were successfully used to ionise the glycoside. The LOD was found to be in the range of 2.4–4.8 ng for permethylated timosaponin AIII and this level is four times higher than the range of the underivatisation analysis. Direct analysis of permethylated timosaponin from Anemarrhena Rhizoma was also successfully performed. Conclusion A simple and quick derivatisation method with tetramethylammonium hydroxide was developed for the direct identification of a hydrophilic saponin from the plant tissue. Better ionisation efficiency conferred by in situ permethylation enabled ionisation of whole molecules of timosaponin AIII from the plant tissue. This simple analytical method will provide a solution to reduce tedious sample preparation steps, not only for non-polar but also hydrophilic natural products directly from the tissue. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Direct Peel Monitoring of Xenobiotics in Fruit by Direct Analysis in Real-Time Coupled to a Linear Quadrupole Ion Trap-Orbitrap Mass Spectrometer.\n \n \n \n \n\n\n \n Farré, M.; Pico, Y.; and Barcelo, D.\n\n\n \n\n\n\n Analytical Chemistry. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{farre_direct_2013,\n\ttitle = {Direct {Peel} {Monitoring} of {Xenobiotics} in {Fruit} by {Direct} {Analysis} in {Real}-{Time} {Coupled} to a {Linear} {Quadrupole} {Ion} {Trap}-{Orbitrap} {Mass} {Spectrometer}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3026702},\n\tdoi = {10.1021/ac3026702},\n\tabstract = {Study of xenobiotics present in fruits peel by exposing it (without any pre-treatment) to direct analysis in real time coupled to a high resolution orbitrap mass spectrometer (DART-HRMS) is reported for the first time. Variables as DART gas heater temperature and pressure, source-to-MS distance and sample velocity are investigated. The analysis of one sample by DART-MS lasts ca. 1 min, and the benefits of both high-resolution and tandem mass spectrometry to elucidate non-target or unknown compounds are combined. Identification of post-harvest fungicides, antioxidants and sugars in fruit peel is performed in the positive ion mode. Possible elemental formula is suggested for marker components. The lowest imazalil concentration that could be detected by this system is 1 ng (equivalent to a concentration of ca. 300 µg kg-1), which is well-below the maximum residue limit. For oranges and apples, direct peel exposition demonstrated good interday precision (within 20 \\% for any concentration) and proper linearity (R2≥0.99), with a dynamic range from 1 to 2500 ng for apple. A comparison of the results obtained using the direct peel screening DART-based method is made with those obtained by DART analysis of solvent extracts, as well as those obtained analyzing these extracts by Ultra High Performance Liquid Chromatography Orbitrap Mass Spectrometry (UHPLC-Orbitrap). The results are in good agreement. Thus, the proposed method proves to be quantitatively accurate with indisputable identification specificity. As an independent method, the approach of direct scanning of peel is of high interest and of potential future within food analysis to guarantee safety, quality and authenticity. ?},\n\turldate = {2013-02-05},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Farré, Marinella and Pico, Yolanda and Barcelo, Damia},\n\tmonth = jan,\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Study of xenobiotics present in fruits peel by exposing it (without any pre-treatment) to direct analysis in real time coupled to a high resolution orbitrap mass spectrometer (DART-HRMS) is reported for the first time. Variables as DART gas heater temperature and pressure, source-to-MS distance and sample velocity are investigated. The analysis of one sample by DART-MS lasts ca. 1 min, and the benefits of both high-resolution and tandem mass spectrometry to elucidate non-target or unknown compounds are combined. Identification of post-harvest fungicides, antioxidants and sugars in fruit peel is performed in the positive ion mode. Possible elemental formula is suggested for marker components. The lowest imazalil concentration that could be detected by this system is 1 ng (equivalent to a concentration of ca. 300 µg kg-1), which is well-below the maximum residue limit. For oranges and apples, direct peel exposition demonstrated good interday precision (within 20 % for any concentration) and proper linearity (R2≥0.99), with a dynamic range from 1 to 2500 ng for apple. A comparison of the results obtained using the direct peel screening DART-based method is made with those obtained by DART analysis of solvent extracts, as well as those obtained analyzing these extracts by Ultra High Performance Liquid Chromatography Orbitrap Mass Spectrometry (UHPLC-Orbitrap). The results are in good agreement. Thus, the proposed method proves to be quantitatively accurate with indisputable identification specificity. As an independent method, the approach of direct scanning of peel is of high interest and of potential future within food analysis to guarantee safety, quality and authenticity. ?\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART®) Ionization as a Tool for Rapid Screening and Characterization of Black Cohosh (Actaea racemosa) by MS Fingerprints.\n \n \n \n\n\n \n Crawford, E; Goguen, R; LaPointe, J; and Musselman, B\n\n\n \n\n\n\n Planta Med, 79(05): P117. 2013.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{crawford_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}®) {Ionization} as a {Tool} for {Rapid} {Screening} and {Characterization} of {Black} {Cohosh} ({Actaea} racemosa) by {MS} {Fingerprints}},\n\tvolume = {79},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0033-1336559},\n\tabstract = {Characterization of herbal dietary supplements has increasingly become a focus for regulatory bodies. In this study we have used a Direct Analysis in Real Time (DART) ambient ionization mass spectrometry method to characterize the major ionizable components in Black Cohosh (Actaea racemosa). Analysis of both the raw natural product and several commercial products labeled as containing Black Cohosh yielded wide variation in the mass spectral composition across the products. In order to permit more uniform sampling we choose to investigate quick extraction protocols with 0.1N acid, 0.1N base, and a published method for Black Cohosh sample prep [1]. The DART-MS experiment involves employing a thermal profile method for each extract using different gas temperatures (150 °C, 250 °C, and 350 °C) for desorption ionization and positive/negative ion mass spectrometric detection. Ferulic acid and caffeic acid desorption were optimized at 250 °C in the negative ion mode. Carbohydrates were detected at 150 °C and 250 °C in the positive ion spectra from the raw plant materials; however, they were not detected in all commercial products. The 250 °C positive and negative ion spectra proved to yield a large number of ions and these spectra were designated as the MS Fingerprint data. These MS Fingerprints were subsequently subjected to analysis using a statistical spectral matching program for automated chemometric analysis of the samples for differentiation.},\n\tlanguage = {EN},\n\tnumber = {05},\n\tjournal = {Planta Med},\n\tauthor = {Crawford, E and Goguen, R and LaPointe, J and Musselman, B},\n\tyear = {2013},\n\tpages = {P117},\n}\n\n\n\n
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\n\n\n
\n Characterization of herbal dietary supplements has increasingly become a focus for regulatory bodies. In this study we have used a Direct Analysis in Real Time (DART) ambient ionization mass spectrometry method to characterize the major ionizable components in Black Cohosh (Actaea racemosa). Analysis of both the raw natural product and several commercial products labeled as containing Black Cohosh yielded wide variation in the mass spectral composition across the products. In order to permit more uniform sampling we choose to investigate quick extraction protocols with 0.1N acid, 0.1N base, and a published method for Black Cohosh sample prep [1]. The DART-MS experiment involves employing a thermal profile method for each extract using different gas temperatures (150 °C, 250 °C, and 350 °C) for desorption ionization and positive/negative ion mass spectrometric detection. Ferulic acid and caffeic acid desorption were optimized at 250 °C in the negative ion mode. Carbohydrates were detected at 150 °C and 250 °C in the positive ion spectra from the raw plant materials; however, they were not detected in all commercial products. The 250 °C positive and negative ion spectra proved to yield a large number of ions and these spectra were designated as the MS Fingerprint data. These MS Fingerprints were subsequently subjected to analysis using a statistical spectral matching program for automated chemometric analysis of the samples for differentiation.\n
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\n \n\n \n \n \n \n \n \n The Classification of Inkjet Inks Using AccuTOF™DART™ (Direct Analysis in Real Time) Mass Spectrometry—A Preliminary Study.\n \n \n \n \n\n\n \n Houlgrave, S.; LaPorte, G. M.; Stephens, J. C.; and Wilson, J. L.\n\n\n \n\n\n\n Journal of Forensic Sciences,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{houlgrave_classification_2013,\n\ttitle = {The {Classification} of {Inkjet} {Inks} {Using} {AccuTOF}™{DART}™ ({Direct} {Analysis} in {Real} {Time}) {Mass} {Spectrometry}—{A} {Preliminary} {Study}},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12048},\n\tdoi = {10.1111/1556-4029.12048},\n\tabstract = {A novel approach for the analysis of inkjet inks is being reported. A time-of-flight mass spectrometer, coupled with a Direct Analysis in Real Time (DART™) ion source (AccuTOF™ DART™), was used to determine if inkjet inks from various manufacturers and models of printers could be reliably differentiated, characterized, and identified. A total of 217 ink standards were analyzed. As inkjet printing often involves the use of multiple colors (e.g., cyan, magenta, yellow, and black) to form an image or text, two different approaches to creating a library of standards and sampling methods were evaluated for implementation in a standard operating procedure. This research will show that a microscopic examination of the region of interest is requisite to identify what colors were utilized during the printing process, prior to comparing with known standards. Finally, blind testing was administered with 10 unknown samples to assess the validity and accuracy of the methodology.},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Houlgrave, Stephanie and LaPorte, Gerald M. and Stephens, Joseph C. and Wilson, Justin L.},\n\tyear = {2013},\n\tkeywords = {DART™, Direct analysis in real time, forensic document examination, forensic science, ink analysis, inkjet inks, mass spectrometry, printers, questioned documents},\n\tpages = {n/a--n/a},\n}\n\n\n\n
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\n A novel approach for the analysis of inkjet inks is being reported. A time-of-flight mass spectrometer, coupled with a Direct Analysis in Real Time (DART™) ion source (AccuTOF™ DART™), was used to determine if inkjet inks from various manufacturers and models of printers could be reliably differentiated, characterized, and identified. A total of 217 ink standards were analyzed. As inkjet printing often involves the use of multiple colors (e.g., cyan, magenta, yellow, and black) to form an image or text, two different approaches to creating a library of standards and sampling methods were evaluated for implementation in a standard operating procedure. This research will show that a microscopic examination of the region of interest is requisite to identify what colors were utilized during the printing process, prior to comparing with known standards. Finally, blind testing was administered with 10 unknown samples to assess the validity and accuracy of the methodology.\n
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\n \n\n \n \n \n \n \n \n Rapid determination of 5-hydroxymethylfurfural by DART ionization with time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Rajchl, A.; Drgová, L.; Grégrová, A.; Čížková, H.; Ševčík, R.; and Voldřich, M.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–9. March 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{rajchl_rapid_2013,\n\ttitle = {Rapid determination of 5-hydroxymethylfurfural by {DART} ionization with time-of-flight mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6875-4},\n\tdoi = {10.1007/s00216-013-6875-4},\n\tabstract = {DART (direct analysis in real time), a novel technique with wide potential for rapid screening analysis, coupled with high-resolution time-of-flight mass spectrometry (TOF-MS) has been used for quantitative analysis of 5-hydroxymethylfurfural (5-HMF), a typical temperature marker of food. The DART/TOF-MS method was optimised and validated. Quantification of 5-HMF was achieved by use of a stable isotope-labelled 5-HMF standard prepared from glucose. Formation of 5-HMF from saccharides, a potential source of overestimation of results, was evaluated. Forty-four real samples (honey and caramelised condensed sweetened milk) and 50 model samples of heated honey were analysed. The possibility of using DART for analysis of heated samples of honey was confirmed. HPLC and DART/TOF-MS methods for determination of 5-HMF were compared. The correlation equation between these methods was DART = 1.0287HPLC + 0.21340, R 2 = 0.9557. The DART/TOF-MS method has been proved to enable efficient and rapid determination of 5-HMF in a variety of food matrices, for example honey and caramel.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Rajchl, Aleš and Drgová, Ladislava and Grégrová, Adéla and Čížková, Helena and Ševčík, Rudolf and Voldřich, Michal},\n\tmonth = mar,\n\tyear = {2013},\n\tkeywords = {5-HMF, Caramel, DART, HPLC, Honey, TOF-MS},\n\tpages = {1--9},\n}\n\n\n\n
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\n DART (direct analysis in real time), a novel technique with wide potential for rapid screening analysis, coupled with high-resolution time-of-flight mass spectrometry (TOF-MS) has been used for quantitative analysis of 5-hydroxymethylfurfural (5-HMF), a typical temperature marker of food. The DART/TOF-MS method was optimised and validated. Quantification of 5-HMF was achieved by use of a stable isotope-labelled 5-HMF standard prepared from glucose. Formation of 5-HMF from saccharides, a potential source of overestimation of results, was evaluated. Forty-four real samples (honey and caramelised condensed sweetened milk) and 50 model samples of heated honey were analysed. The possibility of using DART for analysis of heated samples of honey was confirmed. HPLC and DART/TOF-MS methods for determination of 5-HMF were compared. The correlation equation between these methods was DART = 1.0287HPLC + 0.21340, R 2 = 0.9557. The DART/TOF-MS method has been proved to enable efficient and rapid determination of 5-HMF in a variety of food matrices, for example honey and caramel.\n
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\n \n\n \n \n \n \n \n \n Analysis of writing inks on paper using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Jones, R. W.; and McClelland, J. F.\n\n\n \n\n\n\n Forensic Science International, 231(1–3): 73–81. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{jones_analysis_2013,\n\ttitle = {Analysis of writing inks on paper using direct analysis in real time mass spectrometry},\n\tvolume = {231},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813002399},\n\tdoi = {10.1016/j.forsciint.2013.04.016},\n\tabstract = {Abstract \nInk analysis is central to questioned document examination. We applied direct analysis in real time mass spectrometry (DART MS) to ballpoint, gel, and fluid writing ink analysis. DART MS acquires the mass spectrum of an ink while it is still on a document without altering the appearance of the document. Spectra were acquired from ink on a variety of papers, and the spectrum of the blank paper could be subtracted out to produce a cleanly isolated ink spectrum in most cases. Only certain heavy or heavily processed papers interfered. The time since an ink is written on paper has a large effect on its spectrum. DART spectra change radically during the first few months after an ink is written as the more volatile components evaporate, but the spectra stabilize after that. A library-search study involving 166 well-aged inks assessed the ability to identify inks from their DART spectra. The aggregate success rate was 92\\%.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Jones, Roger W. and McClelland, John F.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Ink, Ink identification, forensic science, mass spectrometry, questioned documents},\n\tpages = {73--81},\n}\n\n\n\n
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\n Abstract Ink analysis is central to questioned document examination. We applied direct analysis in real time mass spectrometry (DART MS) to ballpoint, gel, and fluid writing ink analysis. DART MS acquires the mass spectrum of an ink while it is still on a document without altering the appearance of the document. Spectra were acquired from ink on a variety of papers, and the spectrum of the blank paper could be subtracted out to produce a cleanly isolated ink spectrum in most cases. Only certain heavy or heavily processed papers interfered. The time since an ink is written on paper has a large effect on its spectrum. DART spectra change radically during the first few months after an ink is written as the more volatile components evaporate, but the spectra stabilize after that. A library-search study involving 166 well-aged inks assessed the ability to identify inks from their DART spectra. The aggregate success rate was 92%.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) of Ionic Liquids.\n \n \n \n \n\n\n \n Mazzotta, M.; Pace, R.; Wallgren, B.; Morton, S.; Miller, K.; and Smith, D.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry,1–4. August 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{mazzotta_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) of {Ionic} {Liquids}},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-013-0696-8},\n\tdoi = {10.1007/s13361-013-0696-8},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) was used to analyze ionic liquids (ILs) containing either imidazolium or phosphonium cations combined with different types of inorganic and organic anions. Ionic liquids were directly inserted into the ionization source using a glass probe without dissolution into organic solvents. Mass spectra of the ILs were collected in both positive and negative mode with a linear ion-trap instrument. The intact cation of the compound was typically the dominant peak in positive mass spectra and cluster ion formation was present. Some individual anions were not readily observed in the negative mass spectra (based on the type of anion); however, the mass difference of adjacent cluster ions equal the mass of a complete IL and the anion mass could be verified by subtracting the known cation mass. The degree and intensity of the cluster ion formations was found to be dependent on the nature of the specific ILs as well as the DART temperature gas stream.},\n\tlanguage = {English},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Mazzotta, MichaelG. and Pace, RobertB. and Wallgren, BrandyN. and Morton, SamuelA. and Miller, KevinM. and Smith, DarrinL.},\n\tmonth = aug,\n\tyear = {2013},\n\tkeywords = {Ambient MS, Direct analysis in real time (DART), Ionic liquids, Qualitative MS},\n\tpages = {1--4},\n}\n\n\n\n
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\n Direct analysis in real time mass spectrometry (DART-MS) was used to analyze ionic liquids (ILs) containing either imidazolium or phosphonium cations combined with different types of inorganic and organic anions. Ionic liquids were directly inserted into the ionization source using a glass probe without dissolution into organic solvents. Mass spectra of the ILs were collected in both positive and negative mode with a linear ion-trap instrument. The intact cation of the compound was typically the dominant peak in positive mass spectra and cluster ion formation was present. Some individual anions were not readily observed in the negative mass spectra (based on the type of anion); however, the mass difference of adjacent cluster ions equal the mass of a complete IL and the anion mass could be verified by subtracting the known cation mass. The degree and intensity of the cluster ion formations was found to be dependent on the nature of the specific ILs as well as the DART temperature gas stream.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time-mass spectrometry (DART-MS) for rapid qualitative screening of toxic glycols in glycerin-containing products.\n \n \n \n \n\n\n \n Self, R. L.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{self_direct_2013,\n\ttitle = {Direct analysis in real time-mass spectrometry ({DART}-{MS}) for rapid qualitative screening of toxic glycols in glycerin-containing products},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708513001052},\n\tdoi = {10.1016/j.jpba.2013.02.037},\n\tabstract = {In 2007, the United States Food and Drug Administration released guidance recommending testing of glycerin used in regulated consumer products, such as cough syrup preparations, toothpaste, and other pharmaceutical and food products, for the toxic compounds ethylene glycol and diethylene glycol. Regulatory laboratories routinely test glycerin, and products containing glycerin or related compounds for these toxic glycols, using an official gas chromatographic method, to ensure the safety of these products. The current work describes a companion technique to compliment this GC-FID method utilizing Orbitrap mass spectrometry with direct analysis in real time ionization to rapidly screen these samples qualitatively, with results in as little as five seconds, with no sample preparation required. This allows the more time and resource intensive method to be reserved for those rare cases when these compounds are detected, potentially greatly improving laboratory efficiency. The technique was evaluated for qualitative sensitivity and repeatability, and compared against the GC-FID method. The method appears to perform well against these metrics.},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Self, Randy L.},\n\tyear = {2013},\n\tkeywords = {Diethylene glycol, Direct analysis in real time, Ethylene glycol, Glycerin, Orbitrap},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n In 2007, the United States Food and Drug Administration released guidance recommending testing of glycerin used in regulated consumer products, such as cough syrup preparations, toothpaste, and other pharmaceutical and food products, for the toxic compounds ethylene glycol and diethylene glycol. Regulatory laboratories routinely test glycerin, and products containing glycerin or related compounds for these toxic glycols, using an official gas chromatographic method, to ensure the safety of these products. The current work describes a companion technique to compliment this GC-FID method utilizing Orbitrap mass spectrometry with direct analysis in real time ionization to rapidly screen these samples qualitatively, with results in as little as five seconds, with no sample preparation required. This allows the more time and resource intensive method to be reserved for those rare cases when these compounds are detected, potentially greatly improving laboratory efficiency. The technique was evaluated for qualitative sensitivity and repeatability, and compared against the GC-FID method. The method appears to perform well against these metrics.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) of \"Bath Salt\" Cathinone Drug Mixtures.\n \n \n \n \n\n\n \n Lesiak, A.; Musah, R.; Cody, R. B; Domin, M. A.; Dane, J.; and Shepard, J. R. E.\n\n\n \n\n\n\n Analyst. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) of "{Bath} {Salt}" {Cathinone} {Drug} {Mixtures}},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00360D},\n\tdoi = {10.1039/C3AN00360D},\n\tabstract = {Rapid and versatile direct analysis in real time mass spectrometry (DART-MS) methods were developed for detection and characterization of synthetic cathinone designer drugs, also known as "bath salts". The speed and efficiency associated with DART-MS testing of such highly unpredictable samples demonstrate the technique as an attractive alternative to conventional GC-MS and LC-MS methods. A series of isobaric and closely related synthetic cathinones, alone and in mixtures, were differentiated using high mass accuracy and in-source collision induced dissociation (CID). Crime laboratories have observed a dramatic rise in the use of these substances, which has caused sample testing backlogs, particularly since the myriad of closely structurally related compounds are challenging to efficiently differentiate. This challenge is compounded by the perpetual emergence of new structural variants as soon as older generation derivatives become scheduled. Because of the numerous chemical substances that fall into these categories, along with the varying composition and complexity of mixtures of these drugs, DART-MS CID has the potential to dramatically streamline sample analysis, minimize the number of sample preparation steps, and enable rapid characterization of emerging structural analogs.},\n\tjournal = {Analyst},\n\tauthor = {Lesiak, Ashton and Musah, Rabi and Cody, Robert B and Domin, Marek Adam and Dane, John and Shepard, Jason R. E.},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Rapid and versatile direct analysis in real time mass spectrometry (DART-MS) methods were developed for detection and characterization of synthetic cathinone designer drugs, also known as \"bath salts\". The speed and efficiency associated with DART-MS testing of such highly unpredictable samples demonstrate the technique as an attractive alternative to conventional GC-MS and LC-MS methods. A series of isobaric and closely related synthetic cathinones, alone and in mixtures, were differentiated using high mass accuracy and in-source collision induced dissociation (CID). Crime laboratories have observed a dramatic rise in the use of these substances, which has caused sample testing backlogs, particularly since the myriad of closely structurally related compounds are challenging to efficiently differentiate. This challenge is compounded by the perpetual emergence of new structural variants as soon as older generation derivatives become scheduled. Because of the numerous chemical substances that fall into these categories, along with the varying composition and complexity of mixtures of these drugs, DART-MS CID has the potential to dramatically streamline sample analysis, minimize the number of sample preparation steps, and enable rapid characterization of emerging structural analogs.\n
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\n \n\n \n \n \n \n \n \n Semi-quantitative analysis of contaminants in soils by direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(2): 305–318. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Semi-quantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_semi-quantitative_2013,\n\ttitle = {Semi-quantitative analysis of contaminants in soils by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6450},\n\tdoi = {10.1002/rcm.6450},\n\tabstract = {RATIONALE \n \nCleaning up contaminated sites is a goal of the U.S. Environmental Protection Agency (EPA). A simple, high-throughput, inexpensive, selective, and specific screening method for semi-volatile, polar organic contaminants would provide high spatial resolution for monitoring remediation and for documenting successful clean ups in numerous Superfund, Brownfield, and other contaminated sites. \n \nMETHODS \n \nAn autosampler/Direct Analysis in Real Time (DART)/time-of-flight (TOF) mass spectrometer, with or without a Vapur® evacuated flange, was used to analyze 0.01–33\\% levels of aspirin, diphenylamine, and pentachlorophenol mixed with soil. Triplicate water-soaked swabs were manually rotated in wet analyte:soil mixtures, air dried for 2–3 h, and analyzed directly. To minimize carryover, insensitive and sensitive instrumental conditions were used to analyze high and low analyte levels, respectively. Simulated two-dimensional (2D) mapping and remediation threshold experiments were performed to test the utility of DART-TOFMS for possible sampling strategies. \n \nRESULTS \n \nAnalyte levels differing by factors of 10 were discernible. Data were acquired for 30 swabs in 0.9 min and 3 min with helium stream temperatures of 150 °C and 250 °C and swab transport velocities of 1.45 cm/s and 0.5 cm/s, respectively. With the Vapur flange attached, the average relative standard deviations (RSDs) (n = 3) were between 16\\% and 40\\% for different analytes and analyte levels. Carryover was greatly reduced by removing the Vapur flange, but higher RSDs and occasional plugging of the cone orifice were observed. \n \nCONCLUSIONS \n \nA rapid, simple, rugged, and relatively inexpensive, but selective and sufficiently sensitive, semi-quantitative screening method for semi-volatile, polar, organic compounds in soil was demonstrated. The technique would provide the high spatial resolution necessary to find localized areas of high contamination within contaminated sites that might pose a risk to human and ecological health. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {2},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H.},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {Soils},\n\tpages = {305--318},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Cleaning up contaminated sites is a goal of the U.S. Environmental Protection Agency (EPA). A simple, high-throughput, inexpensive, selective, and specific screening method for semi-volatile, polar organic contaminants would provide high spatial resolution for monitoring remediation and for documenting successful clean ups in numerous Superfund, Brownfield, and other contaminated sites. METHODS An autosampler/Direct Analysis in Real Time (DART)/time-of-flight (TOF) mass spectrometer, with or without a Vapur® evacuated flange, was used to analyze 0.01–33% levels of aspirin, diphenylamine, and pentachlorophenol mixed with soil. Triplicate water-soaked swabs were manually rotated in wet analyte:soil mixtures, air dried for 2–3 h, and analyzed directly. To minimize carryover, insensitive and sensitive instrumental conditions were used to analyze high and low analyte levels, respectively. Simulated two-dimensional (2D) mapping and remediation threshold experiments were performed to test the utility of DART-TOFMS for possible sampling strategies. RESULTS Analyte levels differing by factors of 10 were discernible. Data were acquired for 30 swabs in 0.9 min and 3 min with helium stream temperatures of 150 °C and 250 °C and swab transport velocities of 1.45 cm/s and 0.5 cm/s, respectively. With the Vapur flange attached, the average relative standard deviations (RSDs) (n = 3) were between 16% and 40% for different analytes and analyte levels. Carryover was greatly reduced by removing the Vapur flange, but higher RSDs and occasional plugging of the cone orifice were observed. CONCLUSIONS A rapid, simple, rugged, and relatively inexpensive, but selective and sufficiently sensitive, semi-quantitative screening method for semi-volatile, polar, organic compounds in soil was demonstrated. The technique would provide the high spatial resolution necessary to find localized areas of high contamination within contaminated sites that might pose a risk to human and ecological health. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Authentication of milk and milk-based foods by direct analysis in real time ionization–high resolution mass spectrometry (DART–HRMS) technique: a critical assessment.\n \n \n \n \n\n\n \n Hrbek, V.; Vaclavik, L.; Elich, O.; and Hajslova, J.\n\n\n \n\n\n\n Food Control, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AuthenticationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{hrbek_authentication_2013,\n\ttitle = {Authentication of milk and milk-based foods by direct analysis in real time ionization–high resolution mass spectrometry ({DART}–{HRMS}) technique: a critical assessment},\n\tissn = {0956-7135},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0956713513003952},\n\tdoi = {10.1016/j.foodcont.2013.08.003},\n\tabstract = {Abstract\nThe potential of direct analysis in real time (DART) ambient ionization technique coupled with high resolution mass spectrometry (HRMS) in authentication of milk and dairy products was critically assessed. In particular case, DART–HRMS was used for several scenarios: (i) discrimination among milks obtained from various farm animal species (cow, goat, and sheep), (ii) discrimination between cows´ milk produced in conventional and organic farming, and, (iii) detection of vegetable oil added to a milk-based product (soft cheese). For this purpose, a rapid profiling procedure based on examination of milk/cheese toluene extracts, was implemented. The obtained triacylglycerol (TAG) profiles (mass spectra) were processed with principal component analysis (PCA) and linear discriminant analysis (LDA). Based on LDA model, reliable differentiation of cows´ milk samples and goats’/sheep’s milk was possible. The DART–HRMS procedure also allowed distinguishing milk mixtures prepared at adulteration level of 50\\% (v/v). The capability to recognize milk from conventional and organic farming was rather low, poor classification rates of the LDA model were obtained. On the other hand, reliable detection of the presence of vegetable oils (rapeseed, sunflower, and soybean), added to soft cheese at amount as low as 1\\% (w/w), was possible. Additionally, the quality of added oil in terms of degree of its oxidation could be documented.},\n\tnumber = {0},\n\tjournal = {Food Control},\n\tauthor = {Hrbek, Vojtech and Vaclavik, Lukas and Elich, Ondrej and Hajslova, Jana},\n\tyear = {2013},\n\tkeywords = {Authenticity, Dairy products, Direct analysis in real time, Milk, mass spectrometry},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Abstract The potential of direct analysis in real time (DART) ambient ionization technique coupled with high resolution mass spectrometry (HRMS) in authentication of milk and dairy products was critically assessed. In particular case, DART–HRMS was used for several scenarios: (i) discrimination among milks obtained from various farm animal species (cow, goat, and sheep), (ii) discrimination between cows´ milk produced in conventional and organic farming, and, (iii) detection of vegetable oil added to a milk-based product (soft cheese). For this purpose, a rapid profiling procedure based on examination of milk/cheese toluene extracts, was implemented. The obtained triacylglycerol (TAG) profiles (mass spectra) were processed with principal component analysis (PCA) and linear discriminant analysis (LDA). Based on LDA model, reliable differentiation of cows´ milk samples and goats’/sheep’s milk was possible. The DART–HRMS procedure also allowed distinguishing milk mixtures prepared at adulteration level of 50% (v/v). The capability to recognize milk from conventional and organic farming was rather low, poor classification rates of the LDA model were obtained. On the other hand, reliable detection of the presence of vegetable oils (rapeseed, sunflower, and soybean), added to soft cheese at amount as low as 1% (w/w), was possible. Additionally, the quality of added oil in terms of degree of its oxidation could be documented.\n
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\n \n\n \n \n \n \n \n \n Application of direct analysis in real time ionization–mass spectrometry (DART–MS) in chicken meat metabolomics aiming at the retrospective control of feed fraud.\n \n \n \n \n\n\n \n Cajka, T.; Danhelova, H.; Zachariasova, M.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Metabolomics,1–13. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cajka_application_2013,\n\ttitle = {Application of direct analysis in real time ionization–mass spectrometry ({DART}–{MS}) in chicken meat metabolomics aiming at the retrospective control of feed fraud},\n\tissn = {1573-3882},\n\turl = {http://dx.doi.org/10.1007/s11306-013-0495-z},\n\tdoi = {10.1007/s11306-013-0495-z},\n\tabstract = {Metabolomic fingerprinting enabled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium–high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a tool for differentiation between chickens fed by feed that contained 5–8 \\% (w/w) of chicken bone meal (a banned component) and those representing a reference group, i.e. grown otherwise under the same conditions. In the first step, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from chicken muscle and feed on which experimental animals were grown. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. In the next step, metabolomic fingerprints of a large set of chicken muscle and feed extracts were acquired. In the final phase, the experimental data were statistically evaluated using principal component analysis and orthogonal partial least squares discriminant analysis. In general, differentiation of chicken muscle according to diet (feed with and without the addition of chicken bone meal) was feasible. Additional experiments conducted after 6 months confirmed applicability of this approach. Correct classification was obtained based on the assessment of polar as well as non-polar extracts fingerprints. However, the analysis of non-polar extracts showed that the pattern of triacylglycerols is more prone to seasonal variability and/or type of raw materials used during feed preparation which obscures the bone meal impact to some extent.},\n\tlanguage = {English},\n\tjournal = {Metabolomics},\n\tauthor = {Cajka, Tomas and Danhelova, Hana and Zachariasova, Milena and Riddellova, Katerina and Hajslova, Jana},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {Authenticity, Chicken, Direct analysis in real time (DART), Feed, Metabolomic fingerprinting, mass spectrometry},\n\tpages = {1--13},\n}\n\n\n\n
\n
\n\n\n
\n Metabolomic fingerprinting enabled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium–high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a tool for differentiation between chickens fed by feed that contained 5–8 % (w/w) of chicken bone meal (a banned component) and those representing a reference group, i.e. grown otherwise under the same conditions. In the first step, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from chicken muscle and feed on which experimental animals were grown. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. In the next step, metabolomic fingerprints of a large set of chicken muscle and feed extracts were acquired. In the final phase, the experimental data were statistically evaluated using principal component analysis and orthogonal partial least squares discriminant analysis. In general, differentiation of chicken muscle according to diet (feed with and without the addition of chicken bone meal) was feasible. Additional experiments conducted after 6 months confirmed applicability of this approach. Correct classification was obtained based on the assessment of polar as well as non-polar extracts fingerprints. However, the analysis of non-polar extracts showed that the pattern of triacylglycerols is more prone to seasonal variability and/or type of raw materials used during feed preparation which obscures the bone meal impact to some extent.\n
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\n \n\n \n \n \n \n \n \n DART-MS for rapid, preliminary screening of urine for DMAA.\n \n \n \n \n\n\n \n Lesiak, A. D.; Adams, K. J.; Domin, M. A.; Henck, C.; and Shepard, J. R. E.\n\n\n \n\n\n\n Drug Testing and Analysis,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DART-MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{lesiak_dart-ms_2013,\n\ttitle = {{DART}-{MS} for rapid, preliminary screening of urine for {DMAA}},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.1540},\n\tdoi = {10.1002/dta.1540},\n\tabstract = {Dimethylamylamine (DMAA) is a sympathomimetic amine found in weight-loss/workout supplements or used as an appetite suppressant. DMAA is a stimulant that is banned by the World Anti-Doping Agency (WADA). Adverse health effects as well as fatalities have been implicated with its use. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization method that was employed to rapidly identify the presence of DMAA in various samples without any extraction or preparations whatsoever. DMAA was first identified in supplements, sampled directly in their solid forms. Furthermore, DMAA was detected directly in urine over 48 h as a means of indicating recent abuse of the substance. DART-MS analysis is instantaneous, and coupled with the high mass accuracy associated with the time-of-flight mass analyzer, results in unequivocal identification of the presence of DMAA. These features demonstrate DART-MS as an attractive potential alternative screening method for the presence of drugs and medications or for toxicological investigations. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Lesiak, Ashton D. and Adams, Kendra J. and Domin, Marek A. and Henck, Colin and Shepard, Jason R. E.},\n\tyear = {2013},\n\tkeywords = {DART-MS, DMAA, Direct analysis in real time mass spectrometry, collision induced dissociation, natural supplements, urine testing},\n\tpages = {n/a--n/a},\n}\n\n\n\n
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\n Dimethylamylamine (DMAA) is a sympathomimetic amine found in weight-loss/workout supplements or used as an appetite suppressant. DMAA is a stimulant that is banned by the World Anti-Doping Agency (WADA). Adverse health effects as well as fatalities have been implicated with its use. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization method that was employed to rapidly identify the presence of DMAA in various samples without any extraction or preparations whatsoever. DMAA was first identified in supplements, sampled directly in their solid forms. Furthermore, DMAA was detected directly in urine over 48 h as a means of indicating recent abuse of the substance. DART-MS analysis is instantaneous, and coupled with the high mass accuracy associated with the time-of-flight mass analyzer, results in unequivocal identification of the presence of DMAA. These features demonstrate DART-MS as an attractive potential alternative screening method for the presence of drugs and medications or for toxicological investigations. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time ionization/quadrupole time-of-flight tandem mass spectrometry for rapid identification of iridoids glycosides and caffeoylquinic acids in Re Du Ning Injections.\n \n \n \n \n\n\n \n Li, Y.; Wang, Z.; Bi, Y.; Ding, G.; Sheng, L.; Brian, M.; Zhang, C.; Chen, J.; and Xiao, W.\n\n\n \n\n\n\n Analytical Methods. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{li_direct_2013,\n\ttitle = {Direct analysis in real time ionization/quadrupole time-of-flight tandem mass spectrometry for rapid identification of iridoids glycosides and caffeoylquinic acids in {Re} {Du} {Ning} {Injections}},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY41476K},\n\tdoi = {10.1039/C3AY41476K},\n\tabstract = {Here we report a rapid approach for qualitative analysis of iridoid glycosides and caffeoylquinic acids (CQAs) in Re Du Ning Injections using Direct Analysis in Real Time ionization source (DART) coupled to quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS). In this approach, DART/MS and DART MS/MS analysis in both negative and positive ion modes were performed to characterize two iridoid glycosides and six CQAs in reference solutions and Re Du Ning Injections. Fragmentation pathways of the two kinds of natural compounds were summarized. DART-MS tended to break down some labile bonds in di-CQAs, The di-CQAs yielded abundant fragment ions in the (-) mass scan spectra. Collision-induced dissociation techniques were used to fragment the precursor ions and the product ions. Moreover, differentiation of the isomers of CQAs was possible by using the relative peak abundance and characteristic ion species in MS/MS spectra. DART-MS was also employed to obtain a chemical fingerprint of Re Du Ning Injections for rapid qualitative analysis of this Chinese medicine preparation. DART/Q-TOF MS/MS has shown potential to be used as the real-time detection method for Re Du Ning Injections.},\n\tjournal = {Analytical Methods},\n\tauthor = {Li, Yan-Jing and Wang, Zhen-Zhong and Bi, Yu-An and Ding, Gang and Sheng, Long-Sheng and Brian, Musselman and Zhang, Chen-Feng and Chen, Jun and Xiao, Wei},\n\tyear = {2013},\n}\n\n\n\n
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\n Here we report a rapid approach for qualitative analysis of iridoid glycosides and caffeoylquinic acids (CQAs) in Re Du Ning Injections using Direct Analysis in Real Time ionization source (DART) coupled to quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS). In this approach, DART/MS and DART MS/MS analysis in both negative and positive ion modes were performed to characterize two iridoid glycosides and six CQAs in reference solutions and Re Du Ning Injections. Fragmentation pathways of the two kinds of natural compounds were summarized. DART-MS tended to break down some labile bonds in di-CQAs, The di-CQAs yielded abundant fragment ions in the (-) mass scan spectra. Collision-induced dissociation techniques were used to fragment the precursor ions and the product ions. Moreover, differentiation of the isomers of CQAs was possible by using the relative peak abundance and characteristic ion species in MS/MS spectra. DART-MS was also employed to obtain a chemical fingerprint of Re Du Ning Injections for rapid qualitative analysis of this Chinese medicine preparation. DART/Q-TOF MS/MS has shown potential to be used as the real-time detection method for Re Du Ning Injections.\n
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\n \n\n \n \n \n \n \n \n Applications of Confined DART (Direct Analysis in Real Time) Ion Source for Online in vivo Analysis of Human Breath.\n \n \n \n \n\n\n \n Li, Y.\n\n\n \n\n\n\n Analytical Methods. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_applications_2013,\n\ttitle = {Applications of {Confined} {DART} ({Direct} {Analysis} in {Real} {Time}) {Ion} {Source} for {Online} in vivo {Analysis} of {Human} {Breath}},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY41406J},\n\tdoi = {10.1039/C3AY41406J},\n\tabstract = {Human breath is composed of many volatile metabolites that can potentially provide information about a person's health status. A sensitive assay to identify these volatile organic compounds as biomarker is ideal and important for early detection of many diseases. However, the diagnosis through online breath analysis based on mass spectrometry is difficult due to the low concentration of pertinent compounds in breath. The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique, which can efficiently ionize gaseous, liquid and solid samples with high throughput. A major problem in analysis of gaseous samples is its poor detection sensitivity due to open-air sampling. Recently, the confined DART ion source (cDART) was developed, where the plasma generated by the atmospheric pressure glow discharge ionizes gas-phase molecules in a Tee-shaped flow tube instead of open air. It leads to significant increase of ionization efficiency of gaseous samples. In this study, the cDART source was modified and applied in online analysis of exhaled breath. The limit of detection of the improved cDART source was determined to be at the level of low ppb. The cDART source was used in the real-time monitoring of an oral anesthetic drug. The concentration variations of two active ingredients in exhaled breath, menthol and benzocaine, and their metabolites with time were obtained. The results show that the cDART ion source is a powerful analytical tool to provide high sensitivity and high throughput analysis for volatile organic compounds in human breath, and can find potential applications in clinical diagnosis and therapy.},\n\tjournal = {Analytical Methods},\n\tauthor = {Li, Yue},\n\tyear = {2013},\n}\n\n\n\n
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\n Human breath is composed of many volatile metabolites that can potentially provide information about a person's health status. A sensitive assay to identify these volatile organic compounds as biomarker is ideal and important for early detection of many diseases. However, the diagnosis through online breath analysis based on mass spectrometry is difficult due to the low concentration of pertinent compounds in breath. The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique, which can efficiently ionize gaseous, liquid and solid samples with high throughput. A major problem in analysis of gaseous samples is its poor detection sensitivity due to open-air sampling. Recently, the confined DART ion source (cDART) was developed, where the plasma generated by the atmospheric pressure glow discharge ionizes gas-phase molecules in a Tee-shaped flow tube instead of open air. It leads to significant increase of ionization efficiency of gaseous samples. In this study, the cDART source was modified and applied in online analysis of exhaled breath. The limit of detection of the improved cDART source was determined to be at the level of low ppb. The cDART source was used in the real-time monitoring of an oral anesthetic drug. The concentration variations of two active ingredients in exhaled breath, menthol and benzocaine, and their metabolites with time were obtained. The results show that the cDART ion source is a powerful analytical tool to provide high sensitivity and high throughput analysis for volatile organic compounds in human breath, and can find potential applications in clinical diagnosis and therapy.\n
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\n \n\n \n \n \n \n \n \n Soft Ionization of Saturated Hydrocarbons, Alcohols and Nonpolar Compounds by Negative-Ion Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n \n\n\n \n Cody, R.; and Dane, A.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry,1–6. February 2013.\n \n\n\n\n
\n\n\n\n \n \n \"SoftPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cody_soft_2013,\n\ttitle = {Soft {Ionization} of {Saturated} {Hydrocarbons}, {Alcohols} and {Nonpolar} {Compounds} by {Negative}-{Ion} {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-012-0569-6},\n\tdoi = {10.1007/s13361-012-0569-6},\n\tabstract = {Large polarizable n-alkanes (approximately C18 and larger), alcohols, and other nonpolar compounds can be detected as negative ions when sample solutions are injected directly into the sampling orifice of the atmospheric pressure interface of the time-of-flight mass spectrometer with the direct analysis in real time (DART) ion source operating in negative-ion mode. The mass spectra are dominated by peaks corresponding to [M + O2]‾•. No fragmentation is observed, making this a very soft ionization technique for samples that are otherwise difficult to analyze by DART. Detection limits for cholesterol were determined to be in the low nanogram range.},\n\tlanguage = {English},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Cody, RobertB. and Dane, A.John},\n\tmonth = feb,\n\tyear = {2013},\n\tkeywords = {Alcohols, Alkanes, Ambient, Cholesterol, DART, Direct analysis in real time, Hydrocarbons, Ionization, Negative ions, Triglycerides},\n\tpages = {1--6},\n}\n\n\n\n
\n
\n\n\n
\n Large polarizable n-alkanes (approximately C18 and larger), alcohols, and other nonpolar compounds can be detected as negative ions when sample solutions are injected directly into the sampling orifice of the atmospheric pressure interface of the time-of-flight mass spectrometer with the direct analysis in real time (DART) ion source operating in negative-ion mode. The mass spectra are dominated by peaks corresponding to [M + O2]‾•. No fragmentation is observed, making this a very soft ionization technique for samples that are otherwise difficult to analyze by DART. Detection limits for cholesterol were determined to be in the low nanogram range.\n
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\n \n\n \n \n \n \n \n \n Sampler for Collection and Analysis of Low Vapor Pressure Chemical (LVPC) Particulates/Aerosols.\n \n \n \n \n\n\n \n Ewing, K. J.; Gibson, D.; Sanghera, J.; and Miklos, F.\n\n\n \n\n\n\n Analytical Chemistry, 85(20): 9508–9513. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"SamplerPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{ewing_sampler_2013,\n\ttitle = {Sampler for {Collection} and {Analysis} of {Low} {Vapor} {Pressure} {Chemical} ({LVPC}) {Particulates}/{Aerosols}},\n\tvolume = {85},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac401100r},\n\tdoi = {10.1021/ac401100r},\n\tabstract = {Detection of low vapor pressure chemicals (LVPCs) such as pesticides and other toxic/hazardous materials on various environmental surfaces as well as LVPC aerosols is a significant challenge for current vapor phase detectors. We describe a novel sampling device which utilizes stainless steel screens coated with a sticky polydimethylsiloxane coating for collecting LVPCs aerosolized off of a surface. Results are presented for the collection and detection of a pesticide simulant, dimethyl methylphosphonate sorbed onto silica gel (DMMP/SG), using direct analysis in real time-cylindrical ion trap mass spectrometry (DART-CITMS).},\n\tnumber = {20},\n\turldate = {2013-11-25},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Ewing, K. J. and Gibson, D. and Sanghera, J. and Miklos, F.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {9508--9513},\n}\n\n\n\n
\n
\n\n\n
\n Detection of low vapor pressure chemicals (LVPCs) such as pesticides and other toxic/hazardous materials on various environmental surfaces as well as LVPC aerosols is a significant challenge for current vapor phase detectors. We describe a novel sampling device which utilizes stainless steel screens coated with a sticky polydimethylsiloxane coating for collecting LVPCs aerosolized off of a surface. Results are presented for the collection and detection of a pesticide simulant, dimethyl methylphosphonate sorbed onto silica gel (DMMP/SG), using direct analysis in real time-cylindrical ion trap mass spectrometry (DART-CITMS).\n
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\n \n\n \n \n \n \n \n \n Monitoring tea fermentation/manufacturing by Direct Analysis in Real Time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Fraser, K.; Lane, G. A.; Otter, D. E.; Harrison, S. J.; Quek, S.; Hemar, Y.; and Rasmussen, S.\n\n\n \n\n\n\n Food Chemistry, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MonitoringPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{fraser_monitoring_2013,\n\ttitle = {Monitoring tea fermentation/manufacturing by {Direct} {Analysis} in {Real} {Time} ({DART}) mass spectrometry},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814613006390},\n\tdoi = {10.1016/j.foodchem.2013.05.054},\n\tabstract = {Abstract \nFactors such as fermentation methods, geographical origin and season can affect the biochemical composition of tea leaves (Camellia sinensis L.). In this study, the biochemical composition of oolong tea during the manufacturing and fermentation process was studied using a non-targeted method utilising ambient ionisation with a direct analysis in real time (DART) ion source and mass spectrometry (MS). Caffeine dominated the positive ionisation spectra throughout the manufacturing process, while the negative ion spectra collected during manufacturing were rich in ions likely to be surface lipids. Correlation analyses on the spectra revealed two volatile compounds tentatively identified as indole and geranic acid, along with ammonium and caffeine clusters/adducts with geranic acid that increased in concentration during the fermentation stages of the process. The tentative identifications were assigned using a combination of DART-ion-trap MSn and DART-accurate mass MS1 and MS2 on tea samples and standard compounds. This study highlights the potential of DART-MS to rapidly monitor the progress of complex manufacturing processes such as tea fermentation.},\n\tnumber = {0},\n\tjournal = {Food Chemistry},\n\tauthor = {Fraser, Karl and Lane, Geoff A. and Otter, Don E. and Harrison, Scott J. and Quek, Siew-Young and Hemar, Yacine and Rasmussen, Susanne},\n\tyear = {2013},\n\tkeywords = {Caffeine, DARTMass spectrometry, Direct analysis in real time, Fermentation, Geranic acid, Profiling, Tea, Tea manufacturing},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Factors such as fermentation methods, geographical origin and season can affect the biochemical composition of tea leaves (Camellia sinensis L.). In this study, the biochemical composition of oolong tea during the manufacturing and fermentation process was studied using a non-targeted method utilising ambient ionisation with a direct analysis in real time (DART) ion source and mass spectrometry (MS). Caffeine dominated the positive ionisation spectra throughout the manufacturing process, while the negative ion spectra collected during manufacturing were rich in ions likely to be surface lipids. Correlation analyses on the spectra revealed two volatile compounds tentatively identified as indole and geranic acid, along with ammonium and caffeine clusters/adducts with geranic acid that increased in concentration during the fermentation stages of the process. The tentative identifications were assigned using a combination of DART-ion-trap MSn and DART-accurate mass MS1 and MS2 on tea samples and standard compounds. This study highlights the potential of DART-MS to rapidly monitor the progress of complex manufacturing processes such as tea fermentation.\n
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\n \n\n \n \n \n \n \n \n Mass spectrometry-based metabolomic fingerprinting for screening cold tolerance in Arabidopsis thaliana accessions.\n \n \n \n \n\n\n \n Vaclavik, L.; Mishra, A.; Mishra, K.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–13. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MassPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{vaclavik_mass_2013,\n\ttitle = {Mass spectrometry-based metabolomic fingerprinting for screening cold tolerance in {Arabidopsis} thaliana accessions},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-6692-1},\n\tdoi = {10.1007/s00216-012-6692-1},\n\tabstract = {The availability of rapid and reliable tools for monitoring of plants’ cold tolerance is a prerequisite for research aimed at breeding of cold-tolerant crop plants. Therefore, we have tested the capacity of metabolomics-based methods employing ultra-high-performance liquid chromatography (UHPLC)–mass spectrometry and direct analysis in real time–mass spectrometry for high-throughput screening of cold tolerance in eight differentially cold-tolerant accessions of Arabidopsis thaliana. Metabolomic fingerprinting of leaf tissues was performed in methanolic extracts for (1) 6-week-old non-acclimated (NAC) plants grown at room temperature, (2) NAC plants cold-acclimated (ACC) at 4 °C for 2 weeks, and (3) cold-acclimated plants given sub-zero-temperature treatments by slow cooling at −4 °C for 8 h. The generated chromatograms and mass spectra were processed with the use of multivariate statistical analysis employing principal component analysis (PCA) and linear discriminant analysis. The PCA of metabolomic fingerprints classified the investigated A. thaliana accessions into three categories with low, intermediate, and high cold tolerance for both the cold-acclimated and the sub-zero-temperature-treated plants. This indicates the potential application of metabolomics-based fingerprinting for measuring cold tolerance in the cold-acclimated state, i.e., without treating plants at freezing temperatures that is required by currently available methods. Furthermore, we employed UHPLC coupled to the quadrupole-time-of-flight mass spectrometry to identify characteristic metabolites in ACC state and found the abundance of gluconapin and flavon-3-ol glycosides, respectively, in the cold-sensitive and the cold-tolerant accessions.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Vaclavik, Lukas and Mishra, Anamika and Mishra, KumudB. and Hajslova, Jana},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {Arabidopsis thaliana, Chemometric analysis, Cold tolerance, DART–MS, LC–MS, Metabolomic fingerprinting},\n\tpages = {1--13},\n}\n\n\n\n
\n
\n\n\n
\n The availability of rapid and reliable tools for monitoring of plants’ cold tolerance is a prerequisite for research aimed at breeding of cold-tolerant crop plants. Therefore, we have tested the capacity of metabolomics-based methods employing ultra-high-performance liquid chromatography (UHPLC)–mass spectrometry and direct analysis in real time–mass spectrometry for high-throughput screening of cold tolerance in eight differentially cold-tolerant accessions of Arabidopsis thaliana. Metabolomic fingerprinting of leaf tissues was performed in methanolic extracts for (1) 6-week-old non-acclimated (NAC) plants grown at room temperature, (2) NAC plants cold-acclimated (ACC) at 4 °C for 2 weeks, and (3) cold-acclimated plants given sub-zero-temperature treatments by slow cooling at −4 °C for 8 h. The generated chromatograms and mass spectra were processed with the use of multivariate statistical analysis employing principal component analysis (PCA) and linear discriminant analysis. The PCA of metabolomic fingerprints classified the investigated A. thaliana accessions into three categories with low, intermediate, and high cold tolerance for both the cold-acclimated and the sub-zero-temperature-treated plants. This indicates the potential application of metabolomics-based fingerprinting for measuring cold tolerance in the cold-acclimated state, i.e., without treating plants at freezing temperatures that is required by currently available methods. Furthermore, we employed UHPLC coupled to the quadrupole-time-of-flight mass spectrometry to identify characteristic metabolites in ACC state and found the abundance of gluconapin and flavon-3-ol glycosides, respectively, in the cold-sensitive and the cold-tolerant accessions.\n
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\n \n\n \n \n \n \n \n \n Application of mixture analysis to crude materials from natural resources (IV)[1(a-c)]: identification of Glycyrrhiza species by direct Analysis in real time mass spectrometry (II).\n \n \n \n \n\n\n \n Fukuda, E; Uesawa, Y; Baba, M; and Okada, Y\n\n\n \n\n\n\n Natural product communications, 8(12): 1721–1724. December 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fukuda_application_2013,\n\ttitle = {Application of mixture analysis to crude materials from natural resources ({IV})[1(a-c)]: identification of {Glycyrrhiza} species by direct {Analysis} in real time mass spectrometry ({II}).},\n\tvolume = {8},\n\turl = {http://europepmc.org/abstract/MED/24555282},\n\tabstract = {In order to identify Glycyrrhiza species by chemical fingerprinting, the bark of the roots and stolons of Glycyrrhiza uralensis Fischer and G. glabra Linné were analyzed using DART (Direct Analysis in Real Time)-MS. The characteristic peaks of each species were determined statistically by volcano plot. This summarizes the relationship between the p-values of a statistical test and the magnitude of the difference in values of the samples in the groups. In this experiment, peaks that had a p value {\\textless}0.05 in the t test and Z2 absolute difference were defined as characteristic. As a result, characteristic peaks of G. uralensis were found at m/z 299, 315, 341, and 369. In contrast, characteristic peaks of G. glabra were found at m/z 323, 325, 337, 339, and 391. In conclusion, we found several characteristic peaks to distinguish G. uralensis and G. glabra by DART-MS using volcano plot. This method can be applied to identify the Glycyrrhiza species.},\n\tnumber = {12},\n\tjournal = {Natural product communications},\n\tauthor = {Fukuda, E and Uesawa, Y and Baba, M and Okada, Y},\n\tmonth = dec,\n\tyear = {2013},\n\tpages = {1721--1724},\n}\n\n\n\n
\n
\n\n\n
\n In order to identify Glycyrrhiza species by chemical fingerprinting, the bark of the roots and stolons of Glycyrrhiza uralensis Fischer and G. glabra Linné were analyzed using DART (Direct Analysis in Real Time)-MS. The characteristic peaks of each species were determined statistically by volcano plot. This summarizes the relationship between the p-values of a statistical test and the magnitude of the difference in values of the samples in the groups. In this experiment, peaks that had a p value \\textless0.05 in the t test and Z2 absolute difference were defined as characteristic. As a result, characteristic peaks of G. uralensis were found at m/z 299, 315, 341, and 369. In contrast, characteristic peaks of G. glabra were found at m/z 323, 325, 337, 339, and 391. In conclusion, we found several characteristic peaks to distinguish G. uralensis and G. glabra by DART-MS using volcano plot. This method can be applied to identify the Glycyrrhiza species.\n
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\n \n\n \n \n \n \n \n \n Detection of Caffeine in Tea, Instant Coffee, Green Tea Beverage, and Soft Drink by Direct Analysis in Real Time (DART) Source Coupled to Single-Quadrupole Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, L.; Zhao, P.; Zhang, F.; Bai, A.; and Pan, C.\n\n\n \n\n\n\n Journal of AOAC International, 96(2): 353–356. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_detection_2013,\n\ttitle = {Detection of {Caffeine} in {Tea}, {Instant} {Coffee}, {Green} {Tea} {Beverage}, and {Soft} {Drink} by {Direct} {Analysis} in {Real} {Time} ({DART}) {Source} {Coupled} to {Single}-{Quadrupole} {Mass} {Spectrometry}},\n\tvolume = {96},\n\turl = {http://www.ingentaconnect.com/content/aoac/jaoac/2013/00000096/00000002/art00021},\n\tdoi = {10.5740/jaoacint.12-160},\n\tabstract = {Ambient ionization direct analysis in real time (DART) coupled to single-quadrupole MS (DART-MS) was evaluated for rapid detection of caffeine in commercial samples without chromatographic separation or sample preparation. Four commercial samples were examined: tea, instant coffee, green tea beverage, and soft drink. The response-related parameters were optimized for the DART temperature and MS fragmentor. Under optimal conditions, the molecular ion (M+H)+ was the major ion for identification of caffeine. The results showed that DART-MS is a promising tool for the quick analysis of important marker molecules in commercial samples. Furthermore, this system has demonstrated significant potential for high sample throughput and real-time analysis.},\n\tnumber = {2},\n\tjournal = {Journal of AOAC International},\n\tauthor = {Wang, Lei and Zhao, Pengyue and Zhang, Fengzu and Bai, Aijuan and Pan, Canping},\n\tyear = {2013},\n\tpages = {353--356},\n}\n\n\n\n
\n
\n\n\n
\n Ambient ionization direct analysis in real time (DART) coupled to single-quadrupole MS (DART-MS) was evaluated for rapid detection of caffeine in commercial samples without chromatographic separation or sample preparation. Four commercial samples were examined: tea, instant coffee, green tea beverage, and soft drink. The response-related parameters were optimized for the DART temperature and MS fragmentor. Under optimal conditions, the molecular ion (M+H)+ was the major ion for identification of caffeine. The results showed that DART-MS is a promising tool for the quick analysis of important marker molecules in commercial samples. Furthermore, this system has demonstrated significant potential for high sample throughput and real-time analysis.\n
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\n \n\n \n \n \n \n \n \n Screening for trace explosives by AccuTOF™-DART®: An in-depth validation study.\n \n \n \n \n\n\n \n Sisco, E.; Dake, J.; and Bridge, C.\n\n\n \n\n\n\n Forensic Science International, 232(1–3): 160–168. October 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ScreeningPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{sisco_screening_2013,\n\ttitle = {Screening for trace explosives by {AccuTOF}™-{DART}®: {An} in-depth validation study},\n\tvolume = {232},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813003551},\n\tdoi = {10.1016/j.forsciint.2013.07.006},\n\tabstract = {Abstract\nAmbient ionization mass spectrometry is finding increasing utility as a rapid analysis technique in a number of fields. In forensic science specifically, analysis of many types of samples, including drugs, explosives, inks, bank dye, and lotions, has been shown to be possible using these techniques [1]. This paper focuses on one type of ambient ionization mass spectrometry, Direct Analysis in Real Time Mass Spectrometry (DART-MS or DART), and its viability as a screening tool for trace explosives analysis. In order to assess viability, a validation study was completed which focused on the analysis of trace amounts of nitro and peroxide based explosives. Topics which were studied, and are discussed, include method optimization, reproducibility, sensitivity, development of a search library, discrimination of mixtures, and blind sampling. Advantages and disadvantages of this technique over other similar screening techniques are also discussed.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Sisco, Edward and Dake, Jeffrey and Bridge, Candice},\n\tmonth = oct,\n\tyear = {2013},\n\tkeywords = {Ambient ionization mass spectrometry, Gas chromatography mass spectrometry, Trace detection},\n\tpages = {160--168},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Ambient ionization mass spectrometry is finding increasing utility as a rapid analysis technique in a number of fields. In forensic science specifically, analysis of many types of samples, including drugs, explosives, inks, bank dye, and lotions, has been shown to be possible using these techniques [1]. This paper focuses on one type of ambient ionization mass spectrometry, Direct Analysis in Real Time Mass Spectrometry (DART-MS or DART), and its viability as a screening tool for trace explosives analysis. In order to assess viability, a validation study was completed which focused on the analysis of trace amounts of nitro and peroxide based explosives. Topics which were studied, and are discussed, include method optimization, reproducibility, sensitivity, development of a search library, discrimination of mixtures, and blind sampling. Advantages and disadvantages of this technique over other similar screening techniques are also discussed.\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry of covalently bound organic monolayers.\n \n \n \n \n\n\n \n Manova, R. K.; Claassen, F. W.; Nielen, M. W. F.; Zuilhof, H.; and van Beek, T. A.\n\n\n \n\n\n\n Chemical Communications. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{manova_ambient_2013,\n\ttitle = {Ambient mass spectrometry of covalently bound organic monolayers},\n\tissn = {1359-7345},\n\turl = {http://dx.doi.org/10.1039/C2CC37605A},\n\tabstract = {Detailed molecular analysis by Direct Analysis in Real Time High Resolution Mass Spectrometry (DART-HRMS) of ester and amide-terminated monolayers is demonstrated. The structural information obtained allowed monitoring of the progress of a 4-step surface modification.},\n\tjournal = {Chemical Communications},\n\tauthor = {Manova, Radostina K. and Claassen, Frank W. and Nielen, Michel W. F. and Zuilhof, Han and van Beek, Teris A.},\n\tyear = {2013},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n Detailed molecular analysis by Direct Analysis in Real Time High Resolution Mass Spectrometry (DART-HRMS) of ester and amide-terminated monolayers is demonstrated. The structural information obtained allowed monitoring of the progress of a 4-step surface modification.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time—a critical review on DART-MS.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–18. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{gross_direct_2013,\n\ttitle = {Direct analysis in real time—a critical review on {DART}-{MS}},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-7316-0},\n\tdoi = {10.1007/s00216-013-7316-0},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) has become an established technique for rapid mass spectral analysis of a large variety of samples. DART-MS is capable of analyzing the sample at atmospheric pressure, essentially in the open laboratory environment. DART-MS can be applied to compounds that have been deposited or adsorbed on to surfaces or that are being desorbed therefrom into the atmosphere. This makes DART-MS suitable and well-known for analysis of ingredients of plant materials, pesticide monitoring on vegetables, forensic and safety applications such as screening for traces of explosives, warfare agents, or illicit drugs on luggage, clothes, or bank notes, etc. DART can also be used for analysis of either solid or liquid bulk materials, as may be required in quality control, or to quickly investigate the identity of a compound from chemical synthesis. Even living organisms can be subjected to DART-MS. Driven by different needs in analytical practice, the combination of the DART ionization source and interface can be configured in multiple geometries and with various accessories to adapt the setup as required. Analysis by DART-MS relies on some sort of gas-phase ionization mechanism. In DART, initial generation of the ionizing species is by use of a corona discharge in a pure helium atmosphere which delivers excited helium atoms that, upon their release into the atmosphere, will initiate a cascade of gas-phase reactions. In the end, this results in reagent ions created from atmospheric water or (solvent) vapor in the vicinity of the surface subject to analysis where they effect a chemical ionization process. DART ionization processes may generate positive or negative ions, predominantly even-electron species, but odd-electron species do also occur. The prevailing process of analyte ion formation from a given sample is highly dependent on analyte properties.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Ambient mass spectrometry, DART, Direct analysis in real time, Ionization, Rapid screening},\n\tpages = {1--18},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) has become an established technique for rapid mass spectral analysis of a large variety of samples. DART-MS is capable of analyzing the sample at atmospheric pressure, essentially in the open laboratory environment. DART-MS can be applied to compounds that have been deposited or adsorbed on to surfaces or that are being desorbed therefrom into the atmosphere. This makes DART-MS suitable and well-known for analysis of ingredients of plant materials, pesticide monitoring on vegetables, forensic and safety applications such as screening for traces of explosives, warfare agents, or illicit drugs on luggage, clothes, or bank notes, etc. DART can also be used for analysis of either solid or liquid bulk materials, as may be required in quality control, or to quickly investigate the identity of a compound from chemical synthesis. Even living organisms can be subjected to DART-MS. Driven by different needs in analytical practice, the combination of the DART ionization source and interface can be configured in multiple geometries and with various accessories to adapt the setup as required. Analysis by DART-MS relies on some sort of gas-phase ionization mechanism. In DART, initial generation of the ionizing species is by use of a corona discharge in a pure helium atmosphere which delivers excited helium atoms that, upon their release into the atmosphere, will initiate a cascade of gas-phase reactions. In the end, this results in reagent ions created from atmospheric water or (solvent) vapor in the vicinity of the surface subject to analysis where they effect a chemical ionization process. DART ionization processes may generate positive or negative ions, predominantly even-electron species, but odd-electron species do also occur. The prevailing process of analyte ion formation from a given sample is highly dependent on analyte properties.\n
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\n \n\n \n \n \n \n \n \n DIRECT ANALYSIS IN REAL TIME / TIME OF FLIGHT MASS SPECTROMETRY: INVESTIGATIONS ON PARAMETERS FOR THE COUPLING WITH LIQUID PHASE SAMPLE INTRODUCTION TECHNIQUES.\n \n \n \n \n\n\n \n Hintersteiner, I.; Hertsens, R.; and Klampfl, C. W.\n\n\n \n\n\n\n Journal of Liquid Chromatography & Related Technologies,null–null. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DIRECTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{hintersteiner_direct_2013,\n\ttitle = {{DIRECT} {ANALYSIS} {IN} {REAL} {TIME} / {TIME} {OF} {FLIGHT} {MASS} {SPECTROMETRY}: {INVESTIGATIONS} {ON} {PARAMETERS} {FOR} {THE} {COUPLING} {WITH} {LIQUID} {PHASE} {SAMPLE} {INTRODUCTION} {TECHNIQUES}},\n\tissn = {1082-6076},\n\turl = {http://dx.doi.org/10.1080/10826076.2013.825846},\n\tdoi = {10.1080/10826076.2013.825846},\n\tabstract = {Studies for the evaluation of a lab made liquid jet interface designed for the coupling of Direct Analysis in Real Time (DART) time-of-flight mass spectrometry (TOF-MS) with liquid phase sample introduction systems such as flow injection analysis (FIA) or high performance liquid chromatography (HPLC) have been performed. Thereby a substantial influence of parameters like surface/volume ratio (determined by the inner diameter of the capillary employed) of the liquid jet as well as the composition of the eluent (with respect to the concentration of electrolyte and organic solvent) on signal intensities could be detected. Comparison of the developed interface with other more common interface types (based on electrospray ionization, atmospheric pressure chemical ionization and atmospheric pressure photoionization) was carried out on the example of a test mixture containing four parabens spiked into biological fluid samples. DART ionization proved superior when employed in combination with FIA as it was less affected by matrix effects resulting in ionization suppression. On the other hand if at least partial separation of the matrix/analytes was performed by using short chromatographic columns, the other ionization techniques turned out to be the better choice primarily due to their increased sensitivity.},\n\turldate = {2013-09-19},\n\tjournal = {Journal of Liquid Chromatography \\& Related Technologies},\n\tauthor = {Hintersteiner, Ingrid and Hertsens, Robert and Klampfl, Christian W.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
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\n Studies for the evaluation of a lab made liquid jet interface designed for the coupling of Direct Analysis in Real Time (DART) time-of-flight mass spectrometry (TOF-MS) with liquid phase sample introduction systems such as flow injection analysis (FIA) or high performance liquid chromatography (HPLC) have been performed. Thereby a substantial influence of parameters like surface/volume ratio (determined by the inner diameter of the capillary employed) of the liquid jet as well as the composition of the eluent (with respect to the concentration of electrolyte and organic solvent) on signal intensities could be detected. Comparison of the developed interface with other more common interface types (based on electrospray ionization, atmospheric pressure chemical ionization and atmospheric pressure photoionization) was carried out on the example of a test mixture containing four parabens spiked into biological fluid samples. DART ionization proved superior when employed in combination with FIA as it was less affected by matrix effects resulting in ionization suppression. On the other hand if at least partial separation of the matrix/analytes was performed by using short chromatographic columns, the other ionization techniques turned out to be the better choice primarily due to their increased sensitivity.\n
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\n \n\n \n \n \n \n \n \n Identification of saccharides by using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Wang, Y.; Liu, L.; Ma, L.; and Liu, S.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wang_identification_2013,\n\ttitle = {Identification of saccharides by using direct analysis in real time ({DART}) mass spectrometry},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380613003461},\n\tdoi = {10.1016/j.ijms.2013.09.008},\n\tabstract = {Abstract\nDirect analysis in real time (DART) coupled with quadrupole time-of-flight mass spectrometry (Q-TOF-MS) was applied to investigate the different types of saccharides including ginseng oligosaccharide extract with minimal sample pretreatment. Helium gas temperature into the DART ion source was adjusted to find optimal ionization temperature for glucose in increments of 50oC from 50oC to 450oC. It was observed that gas temperature had a significant effect on signal intensity in DART Mass Spectra. The temperature for the glucose ionization should be at least 150oC, and the signal intensity reached optimal ionization state at 250oC. With the increase of a sugar chain, a higher gas temperature was needed for saccharide ionization. Interestingly, sugar cluster formation can be observed at 450oC for disaccharides and trisaccharides. It is found that the [M +NH4]+ ions of trisaccharide and ginseng oligosaccharides can be rarely produced without any derivatization even at 450oC. All the samples except five carbon monosaccharides can generate the m/z 198 ion, so it is difficult to determine whether a m/z 198 ion is the [M + NH4]+ ion of glucose or merely a sample fragment ion most likely an ammoniated monosaccharide fragment.},\n\tnumber = {0},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Wang, Yang and Liu, Li and Ma, Li and Liu, Shuying},\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Sacchrides, gingseng extract},\n}\n\n\n\n
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\n Abstract Direct analysis in real time (DART) coupled with quadrupole time-of-flight mass spectrometry (Q-TOF-MS) was applied to investigate the different types of saccharides including ginseng oligosaccharide extract with minimal sample pretreatment. Helium gas temperature into the DART ion source was adjusted to find optimal ionization temperature for glucose in increments of 50oC from 50oC to 450oC. It was observed that gas temperature had a significant effect on signal intensity in DART Mass Spectra. The temperature for the glucose ionization should be at least 150oC, and the signal intensity reached optimal ionization state at 250oC. With the increase of a sugar chain, a higher gas temperature was needed for saccharide ionization. Interestingly, sugar cluster formation can be observed at 450oC for disaccharides and trisaccharides. It is found that the [M +NH4]+ ions of trisaccharide and ginseng oligosaccharides can be rarely produced without any derivatization even at 450oC. All the samples except five carbon monosaccharides can generate the m/z 198 ion, so it is difficult to determine whether a m/z 198 ion is the [M + NH4]+ ion of glucose or merely a sample fragment ion most likely an ammoniated monosaccharide fragment.\n
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\n \n\n \n \n \n \n \n \n Real time in situ chemical characterization of sub-micron organic aerosols using Direct Analysis in Real Time mass spectrometry (DART-MS): the effect of aerosol size and volatility.\n \n \n \n \n\n\n \n Chan, M. N.; Nah, T.; and Wilson, K. R.\n\n\n \n\n\n\n Analyst. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RealPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{chan_real_2013,\n\ttitle = {Real time in situ chemical characterization of sub-micron organic aerosols using {Direct} {Analysis} in {Real} {Time} mass spectrometry ({DART}-{MS}): the effect of aerosol size and volatility},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00168G},\n\tdoi = {10.1039/C3AN00168G},\n\tabstract = {Direct Analysis in Real Time (DART) mass spectrometry is an atmospheric pressure ionization technique suitable for in situ chemical analysis of organic aerosols. Here, mass spectra are obtained by introducing a stream of nanometer-sized aerosols into the ionization region, which is an open space between the ion source and the atmospheric inlet of mass spectrometer. Model single component aerosols are used to show how the aerosol size and volatility influence the measured ion signals at different DART gas temperatures. The results show that for equivalent aerosol mass concentrations, the ion signal scales with particle surface area, with smaller diameter oleic acid aerosols yielding higher ion signals relative to larger diameter aerosols. For the aerosols of the same size, but different vapor pressures, the ion signal is larger for more volatile succinic acid aerosols than less volatile adipic and suberic acid particles. From the measured changes in aerosol size, produced by the DART source, the radial probing depth for these model aerosols range from 1 to 10 nm, the magnitude of which depends upon the physiochemical properties of the aerosols and DART gas temperature. An aerosol evaporation model reveals that the ion signal is correlated with changes in aerosol size and depends upon the total quantity of evaporated aerosol mass, consistent with a mechanism in which gas-phase molecules are first desorbed from the aerosol surface prior to ionization. The results of this work serve as a basis for future investigations of the mass spectra, ionization pathways, and probing depth of the aerosols using DART.},\n\tjournal = {Analyst},\n\tauthor = {Chan, Man Nin and Nah, Theodora and Wilson, Kevin R.},\n\tyear = {2013},\n}\n\n\n\n
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\n Direct Analysis in Real Time (DART) mass spectrometry is an atmospheric pressure ionization technique suitable for in situ chemical analysis of organic aerosols. Here, mass spectra are obtained by introducing a stream of nanometer-sized aerosols into the ionization region, which is an open space between the ion source and the atmospheric inlet of mass spectrometer. Model single component aerosols are used to show how the aerosol size and volatility influence the measured ion signals at different DART gas temperatures. The results show that for equivalent aerosol mass concentrations, the ion signal scales with particle surface area, with smaller diameter oleic acid aerosols yielding higher ion signals relative to larger diameter aerosols. For the aerosols of the same size, but different vapor pressures, the ion signal is larger for more volatile succinic acid aerosols than less volatile adipic and suberic acid particles. From the measured changes in aerosol size, produced by the DART source, the radial probing depth for these model aerosols range from 1 to 10 nm, the magnitude of which depends upon the physiochemical properties of the aerosols and DART gas temperature. An aerosol evaporation model reveals that the ion signal is correlated with changes in aerosol size and depends upon the total quantity of evaporated aerosol mass, consistent with a mechanism in which gas-phase molecules are first desorbed from the aerosol surface prior to ionization. The results of this work serve as a basis for future investigations of the mass spectra, ionization pathways, and probing depth of the aerosols using DART.\n
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\n \n\n \n \n \n \n \n \n Fragmentation Behavior Studies of Chalcones Employing Direct Analysis in Real Time (DART).\n \n \n \n \n\n\n \n Rahman, M.; Attwa, M.; Ahmad, P.; Baseeruddin, M.; and Kadi, A.\n\n\n \n\n\n\n Mass Spectrometry Letters, 4: 30–33. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"FragmentationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{rahman_fragmentation_2013,\n\ttitle = {Fragmentation {Behavior} {Studies} of {Chalcones} {Employing} {Direct} {Analysis} in {Real} {Time} ({DART})},\n\tvolume = {4},\n\turl = {http://www.msletters.org},\n\tabstract = {Chalcones are naturally occurring, biologically active molecules generating interest from a wide range of research\napplications including synthetic methodology development, biological activity investigation and studying fragmentation patterns. In\nthis article, a series of chalcones has been synthesized and their fragmentation behavior was studied using modern ambient ionization\ntechnique Direct Analysis in Real Time (DART). DART ion source connected with an ion trap mass spectrometer was\nused for the fragmentation of various substituted chalcones. The chalcones were introduced to the DART source using a glass\ncapillary without sample preparation step. All the chalcones showed prominent molecular ion peaks [M]•+ corresponding to the\nstructures. Multistage mass spectral data MSn (MS2 and MS3) were collected for all the chalcones studied. The chalcones with\nsubstitutions at 3, 4 or 5 positions gave product ion peaks with the loss of a phenyl radical (Ph•) by radical initiated α-cleavage,\nwhile substitution at 2 position of chalcone in the A-ring gave a product ion peak with the loss of substituted styryl radical\n(PhCH = CH•). In case of the chalcones with the substituent at 4 positions in A and B rings gave both types of fragmentation patterns.\nIn conclusion, chalcones can be easily characterized using modern DART interface in very short time and efficiently\nwithout any cumbersome sample pretreatment.},\n\tjournal = {Mass Spectrometry Letters},\n\tauthor = {Rahman, Motiur and Attwa, Mohamed and Ahmad, Pervez and Baseeruddin, Mohammad and Kadi, Adnan},\n\tyear = {2013},\n\tpages = {30--33},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Chalcones are naturally occurring, biologically active molecules generating interest from a wide range of research applications including synthetic methodology development, biological activity investigation and studying fragmentation patterns. In this article, a series of chalcones has been synthesized and their fragmentation behavior was studied using modern ambient ionization technique Direct Analysis in Real Time (DART). DART ion source connected with an ion trap mass spectrometer was used for the fragmentation of various substituted chalcones. The chalcones were introduced to the DART source using a glass capillary without sample preparation step. All the chalcones showed prominent molecular ion peaks [M]•+ corresponding to the structures. Multistage mass spectral data MSn (MS2 and MS3) were collected for all the chalcones studied. The chalcones with substitutions at 3, 4 or 5 positions gave product ion peaks with the loss of a phenyl radical (Ph•) by radical initiated α-cleavage, while substitution at 2 position of chalcone in the A-ring gave a product ion peak with the loss of substituted styryl radical (PhCH = CH•). In case of the chalcones with the substituent at 4 positions in A and B rings gave both types of fragmentation patterns. In conclusion, chalcones can be easily characterized using modern DART interface in very short time and efficiently without any cumbersome sample pretreatment.\n
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\n \n\n \n \n \n \n \n \n High-throughput differentiation of heparin from other glycosaminoglycans by pyrolysis mass spectrometry.\n \n \n \n \n\n\n \n Nemes, P.; Hoover, W. J; and Keire, D. A.\n\n\n \n\n\n\n Analytical Chemistry. July 2013.\n \n\n\n\n
\n\n\n\n \n \n \"High-throughputPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{nemes_high-throughput_2013,\n\ttitle = {High-throughput differentiation of heparin from other glycosaminoglycans by pyrolysis mass spectrometry},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac401318q},\n\tdoi = {10.1021/ac401318q},\n\tabstract = {Sensors with high chemical specificity and enhanced sample throughput are vital to screening food products and medical devices for chemical or biochemical contaminants that may pose a significant threat to public health. For example, the rapid detection of oversulfated chondroitin sulfate (OSCS) in heparin could prevent reoccurrence of this adulterant that caused hundreds of severe adverse events including deaths worldwide in 2007?2008. Here, rapid pyrolysis is integrated with direct analysis in real time (DART) mass spectrometry to rapidly screen major glycosaminoglycans, including: heparin, chondroitin sulfate A, dermatan sulfate, and OSCS. The results demonstrate that, compared to traditional liquid chromatography-based analyses, pyrolysis mass spectrometry achieved at least 250-fold higher sample throughput and was compatible with samples volume-limited to about 300 nL. Pyrolysis yielded an abundance of fragment ions (e.g., 150 different m/z species), many of which were specific to the parent compound. Using multivariate and statistical data analysis models, these data enabled facile differentiation of the glycosaminoglycans with high throughput. After method development was completed, authentically contaminated samples obtained during the heparin crisis by the FDA were analyzed in a blinded manner for OSCS contamination. The lower limit of differentiation and detection were 0.1\\% (w/w) OSCS in heparin and 100 ng/µL (20 ng) OSCS in water, respectively. For quantitative purposes the linear dynamic range spanned approximately three orders of magnitude. Moreover, this chemical readout was successfully employed to find clues in the manufacturing history of the heparin samples that can be used for surveillance purposes. The presented technology and data analysis protocols are anticipated to be readily adaptable to other chemical and biochemical agents and volume-limited samples.},\n\turldate = {2013-07-16},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nemes, Peter and Hoover, William J and Keire, David A.},\n\tmonth = jul,\n\tyear = {2013},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Sensors with high chemical specificity and enhanced sample throughput are vital to screening food products and medical devices for chemical or biochemical contaminants that may pose a significant threat to public health. For example, the rapid detection of oversulfated chondroitin sulfate (OSCS) in heparin could prevent reoccurrence of this adulterant that caused hundreds of severe adverse events including deaths worldwide in 2007?2008. Here, rapid pyrolysis is integrated with direct analysis in real time (DART) mass spectrometry to rapidly screen major glycosaminoglycans, including: heparin, chondroitin sulfate A, dermatan sulfate, and OSCS. The results demonstrate that, compared to traditional liquid chromatography-based analyses, pyrolysis mass spectrometry achieved at least 250-fold higher sample throughput and was compatible with samples volume-limited to about 300 nL. Pyrolysis yielded an abundance of fragment ions (e.g., 150 different m/z species), many of which were specific to the parent compound. Using multivariate and statistical data analysis models, these data enabled facile differentiation of the glycosaminoglycans with high throughput. After method development was completed, authentically contaminated samples obtained during the heparin crisis by the FDA were analyzed in a blinded manner for OSCS contamination. The lower limit of differentiation and detection were 0.1% (w/w) OSCS in heparin and 100 ng/µL (20 ng) OSCS in water, respectively. For quantitative purposes the linear dynamic range spanned approximately three orders of magnitude. Moreover, this chemical readout was successfully employed to find clues in the manufacturing history of the heparin samples that can be used for surveillance purposes. The presented technology and data analysis protocols are anticipated to be readily adaptable to other chemical and biochemical agents and volume-limited samples.\n
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\n \n\n \n \n \n \n \n \n Characterizations of the Extracts from Geting Bituminous Coal by Spectrometries.\n \n \n \n \n\n\n \n Shi, D.; Wei, X.; Fan, X.; Zong, Z.; Chen, B.; Zhao, Y.; Wang, Y.; and Cao, J.\n\n\n \n\n\n\n Energy & Fuels. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{shi_characterizations_2013,\n\ttitle = {Characterizations of the {Extracts} from {Geting} {Bituminous} {Coal} by {Spectrometries}},\n\tissn = {0887-0624},\n\turl = {http://dx.doi.org/10.1021/ef4004686},\n\tdoi = {10.1021/ef4004686},\n\tabstract = {Geting bituminous coal (GBC) was sequentially extracted with petroleum ether, carbon disulfide (CDS), methanol, acetone, and isometric CDS/acetone mixed solvent at room temperature to afford extracts 1-5 (E1-E5) and residue, respectively. Detailed characterizations of the extracts were performed with a gas chromatography/mass spectrometer (GC/MS), Fourier transform infrared (FTIR) spectrometer, and direct analysis in real time ionization source (DARTIS) coupled to an ion trap mass spectrometer (ITMS). GBC and its residue were also analyzed with the FTIR spectrometer. Particle sizes of the residue were significantly reduced compared with those of GBC according to the observation with scanning electron microscope. Arenes with 1-4 rings and more condensed arenes were enriched into E1 and E2, respectively, while more heteroatom-containing organic species were detected in other extracts, especially in E3 and E4 according to GC/MS analysis. The extracts, especially E1-E4, contain more aliphatic moieties and less aromatic moieties compared to GBC and its residue based on FTIR analysis. DARTIS/ITMS proved to be a powerful tool for analyzing thermally labile and/or involatile species, which are difficult to be identified with GC/MS, in the extracts. The GC-MS gave identification of relative small molecules demonstrating the enrichment of alkanes and 1-3 rings aromatics in E1, 4-6 rings aromatics in E2, organooxygen compounds in E3, phthalates and alkoxycarbonyl benzoic acids in E4. FT-IR analysis showed the functional groups in all extracts were mostly consistent with the GC-MS analysis. It supplied characterization and distribution of large molecules, which was beyond the detection range of GC-MS. DART-MS and corresponding tandem mass spectrometry program (DART-MS-MS) afforded the structural information about a wide variety of homologues (with the same core but different number of CH2) in extracts, which matched well with FT-IR result. Furthermore, the DART-MS-MS also elucidated the identification of alkoxycarbonyl benzoic acids series and et al, which was in good agreement with GC-MS result. These work confirmed that the DART-MS, as a novel and cutting-edge technology, is a desirable and reliable technology in coal chemistry. In this paper, combined with sophisticate GC-MS and FT-IR, DART-MS offered us detailed characteristics of GBC extract on molecule-level.},\n\turldate = {2013-06-25},\n\tjournal = {Energy \\& Fuels},\n\tauthor = {Shi, Da-Ling and Wei, Xian-Yong and Fan, Xing and Zong, Zhi-Min and Chen, Bo and Zhao, Yun-Peng and Wang, Yu-Gao and Cao, Jing-Pei},\n\tmonth = jun,\n\tyear = {2013},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Geting bituminous coal (GBC) was sequentially extracted with petroleum ether, carbon disulfide (CDS), methanol, acetone, and isometric CDS/acetone mixed solvent at room temperature to afford extracts 1-5 (E1-E5) and residue, respectively. Detailed characterizations of the extracts were performed with a gas chromatography/mass spectrometer (GC/MS), Fourier transform infrared (FTIR) spectrometer, and direct analysis in real time ionization source (DARTIS) coupled to an ion trap mass spectrometer (ITMS). GBC and its residue were also analyzed with the FTIR spectrometer. Particle sizes of the residue were significantly reduced compared with those of GBC according to the observation with scanning electron microscope. Arenes with 1-4 rings and more condensed arenes were enriched into E1 and E2, respectively, while more heteroatom-containing organic species were detected in other extracts, especially in E3 and E4 according to GC/MS analysis. The extracts, especially E1-E4, contain more aliphatic moieties and less aromatic moieties compared to GBC and its residue based on FTIR analysis. DARTIS/ITMS proved to be a powerful tool for analyzing thermally labile and/or involatile species, which are difficult to be identified with GC/MS, in the extracts. The GC-MS gave identification of relative small molecules demonstrating the enrichment of alkanes and 1-3 rings aromatics in E1, 4-6 rings aromatics in E2, organooxygen compounds in E3, phthalates and alkoxycarbonyl benzoic acids in E4. FT-IR analysis showed the functional groups in all extracts were mostly consistent with the GC-MS analysis. It supplied characterization and distribution of large molecules, which was beyond the detection range of GC-MS. DART-MS and corresponding tandem mass spectrometry program (DART-MS-MS) afforded the structural information about a wide variety of homologues (with the same core but different number of CH2) in extracts, which matched well with FT-IR result. Furthermore, the DART-MS-MS also elucidated the identification of alkoxycarbonyl benzoic acids series and et al, which was in good agreement with GC-MS result. These work confirmed that the DART-MS, as a novel and cutting-edge technology, is a desirable and reliable technology in coal chemistry. In this paper, combined with sophisticate GC-MS and FT-IR, DART-MS offered us detailed characteristics of GBC extract on molecule-level.\n
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\n \n\n \n \n \n \n \n \n Quality by Design Study of the Direct Analysis in Real Time Mass Spectrometry Response.\n \n \n \n \n\n\n \n Wang, L.; Chen, T.; Zeng, S.; and Qu, H.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry,1–8. December 2013.\n \n\n\n\n
\n\n\n\n \n \n \"QualityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wang_quality_2013,\n\ttitle = {Quality by {Design} {Study} of the {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} {Response}},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-013-0779-6},\n\tdoi = {10.1007/s13361-013-0779-6},\n\tabstract = {A mass spectrometry method has been developed using the Quality by Design (QbD) principle. Direct analysis in real time mass spectrometry (DART-MS) was adopted to analyze a pharmaceutical preparation. A fishbone diagram for DART-MS and the Plackett-Burman design were utilized to evaluate the impact of a number of factors on the method performance. Multivariate regression and Pareto ranking analysis indicated that the temperature, determined distance, and sampler speed were statistically significant (P {\\textless} 0.05). Furthermore, the Box-Behnken design combined with response surface analysis was then employed to study the relationships between these three factors and the quality of the DART-MS analysis. The analytical design space of DART-MS was thus constructed and its robustness was validated. In this presented approach, method performance was mathematically described as a composite desirability function of the critical quality attributes (CQAs). Two terms of method validation, including analytical repeatability and method robustness, were carried out at an operating work point. Finally, the validated method was successfully applied to the pharmaceutical quality assurance in different manufacturing batches. These results revealed that the QbD concept was practical in DART-MS method development. Meanwhile, the determined quality was controlled by the analytical design space. This presented strategy provided a tutorial to the development of a robust QbD-compliant mass spectrometry method for industrial quality control.},\n\tlanguage = {English},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Wang, Lu and Chen, Teng and Zeng, Shanshan and Qu, Haibin},\n\tmonth = dec,\n\tyear = {2013},\n\tkeywords = {Analytical method development, Design space, Direct analysis in real time, Method robustness, Quality by design, mass spectrometry},\n\tpages = {1--8},\n}\n\n\n\n
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\n A mass spectrometry method has been developed using the Quality by Design (QbD) principle. Direct analysis in real time mass spectrometry (DART-MS) was adopted to analyze a pharmaceutical preparation. A fishbone diagram for DART-MS and the Plackett-Burman design were utilized to evaluate the impact of a number of factors on the method performance. Multivariate regression and Pareto ranking analysis indicated that the temperature, determined distance, and sampler speed were statistically significant (P \\textless 0.05). Furthermore, the Box-Behnken design combined with response surface analysis was then employed to study the relationships between these three factors and the quality of the DART-MS analysis. The analytical design space of DART-MS was thus constructed and its robustness was validated. In this presented approach, method performance was mathematically described as a composite desirability function of the critical quality attributes (CQAs). Two terms of method validation, including analytical repeatability and method robustness, were carried out at an operating work point. Finally, the validated method was successfully applied to the pharmaceutical quality assurance in different manufacturing batches. These results revealed that the QbD concept was practical in DART-MS method development. Meanwhile, the determined quality was controlled by the analytical design space. This presented strategy provided a tutorial to the development of a robust QbD-compliant mass spectrometry method for industrial quality control.\n
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\n \n\n \n \n \n \n \n \n Non-visible print set-off of photoinitiators in food packaging: detection by ambient ionization mass spectrometry.\n \n \n \n \n\n\n \n Bentayeb, K.; Ackerman, L.; Lord, T.; and Begley, T.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A,null–null. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Non-visiblePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bentayeb_non-visible_2013,\n\ttitle = {Non-visible print set-off of photoinitiators in food packaging: detection by ambient ionization mass spectrometry},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2012.762694},\n\tdoi = {10.1080/19440049.2012.762694},\n\tabstract = {Abstract Direct Analysis in Real Time coupled to Time of Flight Mass Spectrometry (DART/TOF-MS) was used to detect the non-visible set-off of photoinitiators on the food contact surface of three different packages. The samples were intentionally under-cured to provoke set-off. Twelve commercially available photoinitiators were included in the ink formulations including α?amino-, morpholino, and α?hydroxy benzophenones, thioxanthones, aryl-phosphine oxide and three polymeric versions of these. Major colors of the packages' prints were analyzed, as well as the specific areas of the inner surface in contact with them. Larger quantities of photoinitiators were detected on the food contact areas in contact with the darker colors of the images. Speed-cure 7005 and 4-phenylbenzophenone were the compounds most susceptible to set-off in each of the samples by DART response. An identification protocol for unknown set-off compounds was tested resulting in the set-off detection of diethylene glycol ethers, erucamide and acrylates, and confirmed by solvent extraction GC-MS analysis. Finally, DART/TOF-MS was scanned across transects of the food contact side of packages to map the presence of photoinitiators. Higher photoinitiator signals were observed in patterns corresponding to the printed image, suggesting DART/TOF-MS might ?image? print set-off.},\n\turldate = {2013-01-14},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Bentayeb, K. and Ackerman, L.K. and Lord, T. and Begley, T.H.},\n\tmonth = jan,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Direct Analysis in Real Time coupled to Time of Flight Mass Spectrometry (DART/TOF-MS) was used to detect the non-visible set-off of photoinitiators on the food contact surface of three different packages. The samples were intentionally under-cured to provoke set-off. Twelve commercially available photoinitiators were included in the ink formulations including α?amino-, morpholino, and α?hydroxy benzophenones, thioxanthones, aryl-phosphine oxide and three polymeric versions of these. Major colors of the packages' prints were analyzed, as well as the specific areas of the inner surface in contact with them. Larger quantities of photoinitiators were detected on the food contact areas in contact with the darker colors of the images. Speed-cure 7005 and 4-phenylbenzophenone were the compounds most susceptible to set-off in each of the samples by DART response. An identification protocol for unknown set-off compounds was tested resulting in the set-off detection of diethylene glycol ethers, erucamide and acrylates, and confirmed by solvent extraction GC-MS analysis. Finally, DART/TOF-MS was scanned across transects of the food contact side of packages to map the presence of photoinitiators. Higher photoinitiator signals were observed in patterns corresponding to the printed image, suggesting DART/TOF-MS might ?image? print set-off.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time high-resolution mass spectrometry for high-throughput analysis of antiparasitic veterinary drugs in feed and food.\n \n \n \n \n\n\n \n Martínez-Villalba, A.; Vaclavik, L.; Moyano, E.; Galceran, M. T.; and Hajslova, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(3): 467–475. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{martinez-villalba_direct_2013,\n\ttitle = {Direct analysis in real time high-resolution mass spectrometry for high-throughput analysis of antiparasitic veterinary drugs in feed and food},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6466},\n\tdoi = {10.1002/rcm.6466},\n\tabstract = {RATIONALE \n \nDirect analysis in real time (DART) is a novel ionization technique that has been demonstrated in numerous applications as a useful tool for fast and convenient mass spectrometry (MS)-based analysis of complex samples. In this study, the feasibility of DART ionization coupled to a high-resolution mass spectrometer utilizing an orbitrap mass analyzer (orbitrap MS) for high-throughput analysis of antiparasitic veterinary drugs was explored. \n \nMETHODS \n \nTo obtain the best DART-orbitrap MS performance, stepwise optimization of instrumental parameter settings, such as ionization gas temperature and mass resolving power, was performed. The optimized method was applied to feed and bovine milk samples previously extracted following a QuEChERS-like strategy. \n \nRESULTS \n \nMost antiparasitic drugs could be analyzed following the described method. Positive DART ionization provided the protonated molecules [M+H]+; in negative DART ion mode, deprotonated molecules [M–H]– were observed. As an exception, polyether ionophores could be observed as the sodiated adducts [M+Na]+. Samples of milk and feed were extracted using a modified QuEChERS method for the determination of benzimidazoles and coccidiostats respectively and quantification was carried out by matrix-matched calibration curves. \n \nCONCLUSIONS \n \nThe combination of an analysis time of less than 1 min per sample and the possibility to acquire accurate masses under high mass resolving power (HR) makes the DART-HRMS technique an effective tool for rapid qualitative screening of antiparasitic veterinary drugs. Additionally, the results obtained in this study demonstrated the feasibility of this approach to quantify target analytes at levels down to 1 µg kg–1 for benzimidazolic compounds in milk and 0.25 mg kg–1 for coccidiostats in chicken feed. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Martínez-Villalba, Anna and Vaclavik, Lukas and Moyano, Encarnación and Galceran, Maria Teresa and Hajslova, Jana},\n\tyear = {2013},\n\tpages = {467--475},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Direct analysis in real time (DART) is a novel ionization technique that has been demonstrated in numerous applications as a useful tool for fast and convenient mass spectrometry (MS)-based analysis of complex samples. In this study, the feasibility of DART ionization coupled to a high-resolution mass spectrometer utilizing an orbitrap mass analyzer (orbitrap MS) for high-throughput analysis of antiparasitic veterinary drugs was explored. METHODS To obtain the best DART-orbitrap MS performance, stepwise optimization of instrumental parameter settings, such as ionization gas temperature and mass resolving power, was performed. The optimized method was applied to feed and bovine milk samples previously extracted following a QuEChERS-like strategy. RESULTS Most antiparasitic drugs could be analyzed following the described method. Positive DART ionization provided the protonated molecules [M+H]+; in negative DART ion mode, deprotonated molecules [M–H]– were observed. As an exception, polyether ionophores could be observed as the sodiated adducts [M+Na]+. Samples of milk and feed were extracted using a modified QuEChERS method for the determination of benzimidazoles and coccidiostats respectively and quantification was carried out by matrix-matched calibration curves. CONCLUSIONS The combination of an analysis time of less than 1 min per sample and the possibility to acquire accurate masses under high mass resolving power (HR) makes the DART-HRMS technique an effective tool for rapid qualitative screening of antiparasitic veterinary drugs. Additionally, the results obtained in this study demonstrated the feasibility of this approach to quantify target analytes at levels down to 1 µg kg–1 for benzimidazolic compounds in milk and 0.25 mg kg–1 for coccidiostats in chicken feed. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Electro-Thermal Vaporization Direct Analysis in Real Time-Mass Spectrometry for Water Contaminant Analysis during Space Missions.\n \n \n \n \n\n\n \n Dwivedi, P.; Gazda, D. B.; Keelor, J. D.; Limero, T. F.; Wallace, W. T.; Macatangay, A. V.; and Fernández, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 85(20): 9898–9906. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Electro-ThermalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{dwivedi_electro-thermal_2013,\n\ttitle = {Electro-{Thermal} {Vaporization} {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry} for {Water} {Contaminant} {Analysis} during {Space} {Missions}},\n\tvolume = {85},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac402365k},\n\tdoi = {10.1021/ac402365k},\n\tabstract = {The development of a direct analysis in real time-mass spectrometry (DART-MS) method and first prototype vaporizer for the detection of low molecular weight (?30?100 Da) contaminants representative of those detected in water samples from the International Space Station is reported. A temperature-programmable, electro-thermal vaporizer (ETV) was designed, constructed, and evaluated as a sampling interface for DART-MS. The ETV facilitates analysis of water samples with minimum user intervention while maximizing analytical sensitivity and sample throughput. The integrated DART-ETV-MS methodology was evaluated in both positive and negative ion modes to (1) determine experimental conditions suitable for coupling DART with ETV as a sample inlet and ionization platform for time-of-flight MS, (2) to identify analyte response ions, (3) to determine the detection limit and dynamic range for target analyte measurement, and (4) to determine the reproducibility of measurements made with the method when using manual sample introduction into the vaporizer. Nitrogen was used as the DART working gas, and the target analytes chosen for the study were ethyl acetate, acetone, acetaldehyde, ethanol, ethylene glycol, dimethylsilanediol, formaldehyde, isopropanol, methanol, methylethyl ketone, methylsulfone, propylene glycol, and trimethylsilanol.},\n\tnumber = {20},\n\turldate = {2013-11-25},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Dwivedi, Prabha and Gazda, Daniel B. and Keelor, Joel D. and Limero, Thomas F. and Wallace, William T. and Macatangay, Ariel V. and Fernández, Facundo M.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {9898--9906},\n}\n\n\n\n
\n
\n\n\n
\n The development of a direct analysis in real time-mass spectrometry (DART-MS) method and first prototype vaporizer for the detection of low molecular weight (?30?100 Da) contaminants representative of those detected in water samples from the International Space Station is reported. A temperature-programmable, electro-thermal vaporizer (ETV) was designed, constructed, and evaluated as a sampling interface for DART-MS. The ETV facilitates analysis of water samples with minimum user intervention while maximizing analytical sensitivity and sample throughput. The integrated DART-ETV-MS methodology was evaluated in both positive and negative ion modes to (1) determine experimental conditions suitable for coupling DART with ETV as a sample inlet and ionization platform for time-of-flight MS, (2) to identify analyte response ions, (3) to determine the detection limit and dynamic range for target analyte measurement, and (4) to determine the reproducibility of measurements made with the method when using manual sample introduction into the vaporizer. Nitrogen was used as the DART working gas, and the target analytes chosen for the study were ethyl acetate, acetone, acetaldehyde, ethanol, ethylene glycol, dimethylsilanediol, formaldehyde, isopropanol, methanol, methylethyl ketone, methylsulfone, propylene glycol, and trimethylsilanol.\n
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\n \n\n \n \n \n \n \n \n Evaluation of direct analysis in real time ionization–mass spectrometry (DART–MS) in fish metabolomics aimed to assess the response to dietary supplementation.\n \n \n \n \n\n\n \n Cajka, T.; Danhelova, H.; Vavrecka, A.; Riddellova, K.; Kocourek, V.; Vacha, F.; and Hajslova, J.\n\n\n \n\n\n\n Talanta, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cajka_evaluation_2013,\n\ttitle = {Evaluation of direct analysis in real time ionization–mass spectrometry ({DART}–{MS}) in fish metabolomics aimed to assess the response to dietary supplementation},\n\tissn = {0039-9140},\n\turl = {http://www.sciencedirect.com/science/article/pii/S003991401300307X},\n\tdoi = {10.1016/j.talanta.2013.04.025},\n\tabstract = {Abstract \nAmbient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium-high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a rapid tool for metabolomic fingerprinting to study the effects of supplemental feeding with cereals (triticale) on the composition of muscle metabolites of common carp (Cyprinus carpio L.). \n \nFirst, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from common carp muscle. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. Next, the metabolomic fingerprints (mass spectra) of a large set of common carp muscle extracts were acquired. Finally, the experimental data were statistically evaluated using principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). \n \nUsing this approach, differentiation of common carp muscle in response to dietary supplementation (feeding with and without cereals) was feasible. Correct classification was obtained based on the assessment of polar and as well as non-polar extracts fingerprints. The current study showed that DART–TOFMS metabolomic fingerprinting represents a rapid and powerful analytical strategy enabling differentiation of common carp muscles according to feeding history by recording metabolomic fingerprints of ionizable components under the conditions of ambient MS.},\n\tnumber = {0},\n\tjournal = {Talanta},\n\tauthor = {Cajka, Tomas and Danhelova, Hana and Vavrecka, Antonin and Riddellova, Katerina and Kocourek, Vladimir and Vacha, Frantisek and Hajslova, Jana},\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time (DART), Feeding, Fish, Metabolomic fingerprinting, mass spectrometry},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium-high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a rapid tool for metabolomic fingerprinting to study the effects of supplemental feeding with cereals (triticale) on the composition of muscle metabolites of common carp (Cyprinus carpio L.). First, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from common carp muscle. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. Next, the metabolomic fingerprints (mass spectra) of a large set of common carp muscle extracts were acquired. Finally, the experimental data were statistically evaluated using principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). Using this approach, differentiation of common carp muscle in response to dietary supplementation (feeding with and without cereals) was feasible. Correct classification was obtained based on the assessment of polar and as well as non-polar extracts fingerprints. The current study showed that DART–TOFMS metabolomic fingerprinting represents a rapid and powerful analytical strategy enabling differentiation of common carp muscles according to feeding history by recording metabolomic fingerprints of ionizable components under the conditions of ambient MS.\n
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\n \n\n \n \n \n \n \n \n Detection of drugs in latent fingermarks by two mass spectrometric methods.\n \n \n \n \n\n\n \n Lim, A. Y.; Rowell, F J; Elumbaring-Salazar, C. G.; Loke, J.; and Ma, J.\n\n\n \n\n\n\n Analytical Methods. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lim_detection_2013,\n\ttitle = {Detection of drugs in latent fingermarks by two mass spectrometric methods},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY40538A},\n\tdoi = {10.1039/C3AY40538A},\n\tabstract = {The ability of two mass spectrometric methods, surface assisted laser desorption ionization mass spectrometry (SALDI-MS) and direct analysis in real time mass spectrometry (DART-MS), to detect the presence of 5 drugs in latent fingermarks has been examined. It was found that each drug could be detected with good sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-MS. In contrast, for latent marks lifted from 3 surfaces (ceramic tile, wood laminate and backing of adhesive tape), no drug could be detected in dusted marks on the surface of a commercial lifting tape by DART-MS due to high background interference from the tape material, whereas all the drugs could be detected by SALDI-MS on equivalent marks. Also, it was demonstrated that drug-spiked latent fingermarks pre-dusted with regular fingerprint powder and lifted using conventional lifting tape could be redeveloped with carbon black doped silica particles to enable MS interrogation via SALDI-MS.},\n\tjournal = {Analytical Methods},\n\tauthor = {Lim, Angelina Yimei and Rowell, F J and Elumbaring-Salazar, Cheryl Grace and Loke, Jason and Ma, Jan},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n The ability of two mass spectrometric methods, surface assisted laser desorption ionization mass spectrometry (SALDI-MS) and direct analysis in real time mass spectrometry (DART-MS), to detect the presence of 5 drugs in latent fingermarks has been examined. It was found that each drug could be detected with good sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-MS. In contrast, for latent marks lifted from 3 surfaces (ceramic tile, wood laminate and backing of adhesive tape), no drug could be detected in dusted marks on the surface of a commercial lifting tape by DART-MS due to high background interference from the tape material, whereas all the drugs could be detected by SALDI-MS on equivalent marks. Also, it was demonstrated that drug-spiked latent fingermarks pre-dusted with regular fingerprint powder and lifted using conventional lifting tape could be redeveloped with carbon black doped silica particles to enable MS interrogation via SALDI-MS.\n
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\n \n\n \n \n \n \n \n \n Determination of cocaine and methadone in urine samples by thin-film solid-phase microextraction and direct analysis in real time (DART) coupled with tandem mass spectrometry.\n \n \n \n \n\n\n \n Rodriguez-Lafuente, A.; Mirnaghi, F.; and Pawliszyn, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–5. May 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rodriguez-lafuente_determination_2013,\n\ttitle = {Determination of cocaine and methadone in urine samples by thin-film solid-phase microextraction and direct analysis in real time ({DART}) coupled with tandem mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6993-z},\n\tdoi = {10.1007/s00216-013-6993-z},\n\tabstract = {The use of thin-film solid-phase microextraction (SPME) as the sampling preparation step before direct analysis in real time (DART) was evaluated for the determination of two prohibited doping substances, cocaine and methadone, in urine samples. Results showed that thin-film SPME improves the detectability of these compounds: signal-to-blank ratios of 5 (cocaine) and 13 (methadone) were obtained in the analysis of 0.5 ng/ml in human urine. Thin-film SPME also provides efficient sample cleanup, avoiding contamination of the ion source by salt residues from the urine samples. Extraction time was established in 10 min, thus providing relatively short analysis time and high throughput when combined with a 96-well shaker and coupled with DART technique.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Rodriguez-Lafuente, Angel and Mirnaghi, FatemehS. and Pawliszyn, Janusz},\n\tmonth = may,\n\tyear = {2013},\n\tkeywords = {DART, Doping, Thin-film SPME, Urine},\n\tpages = {1--5},\n}\n\n\n\n
\n
\n\n\n
\n The use of thin-film solid-phase microextraction (SPME) as the sampling preparation step before direct analysis in real time (DART) was evaluated for the determination of two prohibited doping substances, cocaine and methadone, in urine samples. Results showed that thin-film SPME improves the detectability of these compounds: signal-to-blank ratios of 5 (cocaine) and 13 (methadone) were obtained in the analysis of 0.5 ng/ml in human urine. Thin-film SPME also provides efficient sample cleanup, avoiding contamination of the ion source by salt residues from the urine samples. Extraction time was established in 10 min, thus providing relatively short analysis time and high throughput when combined with a 96-well shaker and coupled with DART technique.\n
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\n \n\n \n \n \n \n \n \n The use HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS for rapid analysis of degradation by oxidation and sonication of an azo dye.\n \n \n \n \n\n\n \n Djelal, H.; Cornée, C.; Tartivel, R.; Lavastre, O.; and Amrane, A.\n\n\n \n\n\n\n Arabian Journal of Chemistry, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{djelal_use_2013,\n\ttitle = {The use {HPTLC} and {Direct} {Analysis} in {Real} {Time}-{Of}-{Flight} {Mass} {Spectrometry} {DART}-{TOF}-{MS} for rapid analysis of degradation by oxidation and sonication of an azo dye},\n\tissn = {1878-5352},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1878535213001676},\n\tdoi = {10.1016/j.arabjc.2013.06.003},\n\tabstract = {Abstract \nAdvanced oxidation processes are efficient for the removal of recalcitrant compounds, like azo-dyes. However, the intermediates produced during their degradation can be more toxic than the parent compounds. Improving the knowledge concerning the degradation pathways may be therefore helpful to optimize the process. In this aim, HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS were considered and applied to analyze the sono-oxidation of an azo dye, methyl red sodium salt (MRSS) as a model compound. Initial and final UV-Vis spectra showed a clear disappearance of the maximum absorption peak, but shows limit since it cannot allow by-products identification. MRSS degradation was confirmed by HPTLC, which also confirmed that MRSS degradation was mainly due to oxidation, while in the considered experimental conditions the sonication effect appeared negligible. Three major peaks were observed by DART-TOF-MS after MRSS oxidation, m/z=139.002, m/z=223.073 and m/z=279.137, Relative abundance of m/z=139.002, which was much higher after oxidation, tends to prove that a large proportion of initial oxydized MRSS was fragmented. The MRSS m/z = 270.078. The coupling of HPTLC and DART-TOF-MS may be subsequently considered to identify the oxidation reaction products.},\n\tnumber = {0},\n\tjournal = {Arabian Journal of Chemistry},\n\tauthor = {Djelal, Hayet and Cornée, Carole and Tartivel, Ronan and Lavastre, Olivier and Amrane, Abdeltif},\n\tyear = {2013},\n\tkeywords = {Azo dyes, DART-TOF-MS, HPTLC, MRSS, Sono-oxidation},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Advanced oxidation processes are efficient for the removal of recalcitrant compounds, like azo-dyes. However, the intermediates produced during their degradation can be more toxic than the parent compounds. Improving the knowledge concerning the degradation pathways may be therefore helpful to optimize the process. In this aim, HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS were considered and applied to analyze the sono-oxidation of an azo dye, methyl red sodium salt (MRSS) as a model compound. Initial and final UV-Vis spectra showed a clear disappearance of the maximum absorption peak, but shows limit since it cannot allow by-products identification. MRSS degradation was confirmed by HPTLC, which also confirmed that MRSS degradation was mainly due to oxidation, while in the considered experimental conditions the sonication effect appeared negligible. Three major peaks were observed by DART-TOF-MS after MRSS oxidation, m/z=139.002, m/z=223.073 and m/z=279.137, Relative abundance of m/z=139.002, which was much higher after oxidation, tends to prove that a large proportion of initial oxydized MRSS was fragmented. The MRSS m/z = 270.078. The coupling of HPTLC and DART-TOF-MS may be subsequently considered to identify the oxidation reaction products.\n
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\n \n\n \n \n \n \n \n \n Development of a rapid screening method to determine primary aromatic amines in kitchen utensils using direct analysis in real time mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Paseiro-Cerrato, R.; Noonan, G. O.; and Begley, T. H.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A,null–null. November 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DevelopmentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{paseiro-cerrato_development_2013,\n\ttitle = {Development of a rapid screening method to determine primary aromatic amines in kitchen utensils using direct analysis in real time mass spectrometry ({DART}-{MS})},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2013.867366},\n\tdoi = {10.1080/19440049.2013.867366},\n\tabstract = {Primary aromatic amines (PAAs) are a group of substances with undesirable health effects, that are used in a variety of commercial products. Several recent studies, using a number of screening and confirmatory methods, have reported the migration of PAAs from some kitchen utensils into acetic acid 3\\% (w/v). Many of these methods require significant sample preparation, therefore the aim of this work was to determine if direct analysis in real time mass spectrometry (DART-MS) could be utilized as a rapid screening tool for the determination of PAAs in kitchen utensils. DART-MS results from direct analysis of the utensil have been compared with results of PAA migration by ultra high performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) method. The UPLC-MS/MS method had excellent linearity, appropriate sensitivity (LOD ≤ 1.5 µg L?1; LOQ ≤ 4.5 µg L?1), repeatability from 2.4 to 13.2\\% and acceptable recoveries. DART-MS results were in good agreement with UPLC-MS/MS data, with 100\\% of non-compliant (PAA positive) samples successfully identified by DART-MS.},\n\turldate = {2013-11-27},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Paseiro-Cerrato, R. and Noonan, G. O. and Begley, T. H.},\n\tmonth = nov,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
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\n\n\n
\n Primary aromatic amines (PAAs) are a group of substances with undesirable health effects, that are used in a variety of commercial products. Several recent studies, using a number of screening and confirmatory methods, have reported the migration of PAAs from some kitchen utensils into acetic acid 3% (w/v). Many of these methods require significant sample preparation, therefore the aim of this work was to determine if direct analysis in real time mass spectrometry (DART-MS) could be utilized as a rapid screening tool for the determination of PAAs in kitchen utensils. DART-MS results from direct analysis of the utensil have been compared with results of PAA migration by ultra high performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) method. The UPLC-MS/MS method had excellent linearity, appropriate sensitivity (LOD ≤ 1.5 µg L?1; LOQ ≤ 4.5 µg L?1), repeatability from 2.4 to 13.2% and acceptable recoveries. DART-MS results were in good agreement with UPLC-MS/MS data, with 100% of non-compliant (PAA positive) samples successfully identified by DART-MS.\n
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\n \n\n \n \n \n \n \n What Is the Opposite of Pandora’s Box? Direct Analysis, Ambient Ionization, and a New Generation of Atmospheric Pressure Ion Sources.\n \n \n \n\n\n \n Cody, R. B.\n\n\n \n\n\n\n Mass Spectrometry, 2(Special_Issue): S0007–S0007. 2013.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cody_what_2013,\n\ttitle = {What {Is} the {Opposite} of {Pandora}’s {Box}? {Direct} {Analysis}, {Ambient} {Ionization}, and a {New} {Generation} of {Atmospheric} {Pressure} {Ion} {Sources}},\n\tvolume = {2},\n\tabstract = {The introduction of DART and DESI sources approximately seven years ago led to the development of a new series of atmospheric pressure ion sources referred to as “ambient ionization” sources. These fall into two major categories: spray techniques like DESI or plasma techniques like DART. The selectivity of “direct ionization,” meaning analysis without chromatography and with little or no sample preparation, depends on the mass spectrometer selectivity. Although high resolution and tandem mass spectrometry are valuable tools, rapid and simple sample preparation methods can improve the utility of ambient ionization methods. The concept of ambient ionization has led to the realization that there are many more ways to form ions than might be expected. An interesting example is the use of a flint-and-steel spark source to generate ions from compounds such as phenolphthalein and Gramicidin S.},\n\tnumber = {Special\\_Issue},\n\tjournal = {Mass Spectrometry},\n\tauthor = {Cody, Robert B.},\n\tyear = {2013},\n\tpages = {S0007--S0007},\n}\n\n\n\n
\n
\n\n\n
\n The introduction of DART and DESI sources approximately seven years ago led to the development of a new series of atmospheric pressure ion sources referred to as “ambient ionization” sources. These fall into two major categories: spray techniques like DESI or plasma techniques like DART. The selectivity of “direct ionization,” meaning analysis without chromatography and with little or no sample preparation, depends on the mass spectrometer selectivity. Although high resolution and tandem mass spectrometry are valuable tools, rapid and simple sample preparation methods can improve the utility of ambient ionization methods. The concept of ambient ionization has led to the realization that there are many more ways to form ions than might be expected. An interesting example is the use of a flint-and-steel spark source to generate ions from compounds such as phenolphthalein and Gramicidin S.\n
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\n \n\n \n \n \n \n \n \n Trace analysis of energetic materials via direct analyte-probed nanoextraction coupled to direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Clemons, K.; Dake, J.; Sisco, E.; and Verbeck IV, G. F.\n\n\n \n\n\n\n Forensic Science International, 231(1–3): 98–101. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"TracePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{clemons_trace_2013,\n\ttitle = {Trace analysis of energetic materials via direct analyte-probed nanoextraction coupled to direct analysis in real time mass spectrometry},\n\tvolume = {231},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813002454},\n\tdoi = {10.1016/j.forsciint.2013.04.022},\n\tabstract = {Abstract \nDirect analysis in real time mass spectrometry (DART-MS) has proven to be a useful forensic tool for the trace analysis of energetic materials. While other techniques for detecting trace amounts of explosives involve extraction, derivatization, solvent exchange, or sample clean-up, DART-MS requires none of these. Typical DART-MS analyses directly from a solid sample or from a swab have been quite successful; however, these methods may not always be an optimal sampling technique in a forensic setting. For example, if the sample were only located in an area which included a latent fingerprint of interest, direct DART-MS analysis or the use of a swab would almost certainly destroy the print. To avoid ruining such potentially invaluable evidence, another method has been developed which will leave the fingerprint virtually untouched. Direct analyte-probed nanoextraction coupled to nanospray ionization-mass spectrometry (DAPNe–NSI-MS) has demonstrated excellent sensitivity and repeatability in forensic analyses of trace amounts of illicit drugs from various types of surfaces. This technique employs a nanomanipulator in conjunction with bright-field microscopy to extract single particles from a surface of interest and has provided a limit of detection of 300 attograms for caffeine. Combining DAPNe with DART-MS provides another level of flexibility in forensic analysis, and has proven to be a sufficient detection method for trinitrotoluene (TNT), RDX, and 1-methylaminoanthraquinone (MAAQ).},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Clemons, Kristina and Dake, Jeffrey and Sisco, Edward and Verbeck IV, Guido F.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Direct analyte-probed nanoextraction, Explosives, Latent fingerprint, forensic science, mass spectrometry},\n\tpages = {98--101},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Direct analysis in real time mass spectrometry (DART-MS) has proven to be a useful forensic tool for the trace analysis of energetic materials. While other techniques for detecting trace amounts of explosives involve extraction, derivatization, solvent exchange, or sample clean-up, DART-MS requires none of these. Typical DART-MS analyses directly from a solid sample or from a swab have been quite successful; however, these methods may not always be an optimal sampling technique in a forensic setting. For example, if the sample were only located in an area which included a latent fingerprint of interest, direct DART-MS analysis or the use of a swab would almost certainly destroy the print. To avoid ruining such potentially invaluable evidence, another method has been developed which will leave the fingerprint virtually untouched. Direct analyte-probed nanoextraction coupled to nanospray ionization-mass spectrometry (DAPNe–NSI-MS) has demonstrated excellent sensitivity and repeatability in forensic analyses of trace amounts of illicit drugs from various types of surfaces. This technique employs a nanomanipulator in conjunction with bright-field microscopy to extract single particles from a surface of interest and has provided a limit of detection of 300 attograms for caffeine. Combining DAPNe with DART-MS provides another level of flexibility in forensic analysis, and has proven to be a sufficient detection method for trinitrotoluene (TNT), RDX, and 1-methylaminoanthraquinone (MAAQ).\n
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\n \n\n \n \n \n \n \n \n Characterization of Blood in an Encrustation on an African Mask: Spectroscopic and Direct Analysis in Real Time Mass Spectrometric Identification of Haem.\n \n \n \n \n\n\n \n Fraser, D.; Selvius DeRoo, C.; Cody, R. B; and Armitage, R. A.\n\n\n \n\n\n\n Analyst. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{fraser_characterization_2013,\n\ttitle = {Characterization of {Blood} in an {Encrustation} on an {African} {Mask}: {Spectroscopic} and {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometric} {Identification} of {Haem}},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00633F},\n\tdoi = {10.1039/C3AN00633F},\n\tabstract = {Prior to exhibiting an African Komo mask from the collections of the Detroit Institute of Arts, a multianalytical approach was undertaken to characterize the flaking encrusted coating on the surface of the mask. Preliminary XRF and FTIR examination of the coating on the Komo mask revealed the presence of significant quantities of iron and protein, possibly indicating the presence of blood. Raman spectroscopy showed evidence for the porphyrin structure of haem as well. To confirm that blood was indeed present in the coating, we developed a novel method for identifying the haem moiety from blood by use of in-situ methylation and direct analysis in real time mass spectrometry (DART-MS). Following a denaturing step with formic acid, the resulting solution was combined with an excess of phenyltrimethylammonium hydroxide to promote desorption, applied to a melting point tube, and placed into the Direct Analysis in Real Time ion source gas stream at 550 [degree]C. The permethylated haem ion (m/z 644.208) from myoglobin, haemoglobin, fresh blood, and blood aged in the laboratory for 10 years was readily observed above the background. By the described DART-TOF-MS method, permethylated haem was positively identified in the mask coating, confirming the presence of blood. This method has obvious utility in forensic science beyond that for identifying blood incorporated in cultural heritage materials.},\n\tjournal = {Analyst},\n\tauthor = {Fraser, Daniel and Selvius DeRoo, Cathy and Cody, Robert B and Armitage, Ruth Ann},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Prior to exhibiting an African Komo mask from the collections of the Detroit Institute of Arts, a multianalytical approach was undertaken to characterize the flaking encrusted coating on the surface of the mask. Preliminary XRF and FTIR examination of the coating on the Komo mask revealed the presence of significant quantities of iron and protein, possibly indicating the presence of blood. Raman spectroscopy showed evidence for the porphyrin structure of haem as well. To confirm that blood was indeed present in the coating, we developed a novel method for identifying the haem moiety from blood by use of in-situ methylation and direct analysis in real time mass spectrometry (DART-MS). Following a denaturing step with formic acid, the resulting solution was combined with an excess of phenyltrimethylammonium hydroxide to promote desorption, applied to a melting point tube, and placed into the Direct Analysis in Real Time ion source gas stream at 550 [degree]C. The permethylated haem ion (m/z 644.208) from myoglobin, haemoglobin, fresh blood, and blood aged in the laboratory for 10 years was readily observed above the background. By the described DART-TOF-MS method, permethylated haem was positively identified in the mask coating, confirming the presence of blood. This method has obvious utility in forensic science beyond that for identifying blood incorporated in cultural heritage materials.\n
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\n \n\n \n \n \n \n \n \n Polydimethylsiloxane-based wide-range mass calibration for direct analysis in real-time mass spectrometry.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. August 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Polydimethylsiloxane-basedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{gross_polydimethylsiloxane-based_2013,\n\ttitle = {Polydimethylsiloxane-based wide-range mass calibration for direct analysis in real-time mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-7287-1},\n\tdoi = {10.1007/s00216-013-7287-1},\n\tabstract = {Direct analysis in real-time mass spectrometry (DART-MS) is normally applied for small-molecule analysis up to about m/z 1,000. Here, for the analysis of polydimethylsiloxanes, high-mass capabilities expanding beyond m/z 3,000 are demonstrated. In addition, polydimethylsiloxanes provide an ideal mass calibration standard for positive-ion DART-MS. A mass reference list has been compiled to cover ions from m/z 200 up to m/z 2,600. Species with more than 20 silicon atoms exhibit increasingly broader isotopic patterns with decreasing abundances of the monoisotopic ions. The use of the first isotopic peaks for analyte ions above m/z 2,000 serves as a work-around and ensures easy and reproducible recognition of the reference peaks by the instrument data system. Here, the positive-ion DART mass spectra of polydimethylsiloxanes and the corresponding experimental procedures are described, and the mass reference list is provided.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = aug,\n\tyear = {2013},\n\tkeywords = {Accurate mass, Direct analysis in real time (DART), Mass calibration, Polymer analysis, Polysiloxanes, mass spectrometry},\n\tpages = {1--6},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Direct analysis in real-time mass spectrometry (DART-MS) is normally applied for small-molecule analysis up to about m/z 1,000. Here, for the analysis of polydimethylsiloxanes, high-mass capabilities expanding beyond m/z 3,000 are demonstrated. In addition, polydimethylsiloxanes provide an ideal mass calibration standard for positive-ion DART-MS. A mass reference list has been compiled to cover ions from m/z 200 up to m/z 2,600. Species with more than 20 silicon atoms exhibit increasingly broader isotopic patterns with decreasing abundances of the monoisotopic ions. The use of the first isotopic peaks for analyte ions above m/z 2,000 serves as a work-around and ensures easy and reproducible recognition of the reference peaks by the instrument data system. Here, the positive-ion DART mass spectra of polydimethylsiloxanes and the corresponding experimental procedures are described, and the mass reference list is provided.\n
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\n \n\n \n \n \n \n \n \n Capabilities and limitations of direct analysis in real time orbitrap mass spectrometry and tandem mass spectrometry for the analysis of synthetic and natural polymers.\n \n \n \n \n\n\n \n Bridoux, M. C.; and Machuron-Mandard, X.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(18): 2057–2070. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CapabilitiesPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bridoux_capabilities_2013,\n\ttitle = {Capabilities and limitations of direct analysis in real time orbitrap mass spectrometry and tandem mass spectrometry for the analysis of synthetic and natural polymers},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6664},\n\tdoi = {10.1002/rcm.6664},\n\tabstract = {RATIONALE\n\nDespite the widespread use of direct analysis in real time mass spectrometry (DART-MS), its capabilities in terms of accessible mass range and the types of polymers that can be analysed are not well known. The goal of this work was to evaluate the capabilities and limitations of this ionization technique combined with orbitrap mass spectrometry and tandem mass spectrometry, for the characterization (structural and polydispersity metrics) of various synthetic and natural polymers.\n\nMETHODS\n\nThe capabilities and limitations of DART-MS (and -MS2), using an orbitrap mass spectrometer, for polymer analysis were evaluated using various industrial synthetic polymers and biopolymers. Stainless steel mesh screens secured on a movable rail were used as the sampling surface, onto which 5 μL of various polymers dissolved in tetrahydrofuran were added. Assignment of spectral features and calculation of molecular weight and polydispersity metrics were performed using Polymerix™ software and the results were compared with those obtained by gel-permeation chromatography (GPC).\n\nRESULTS\n\nProtonated oligomers and ammonium adducts were instantaneously detected as the major ionisation products in positive ion mode. Only perfluoropolyethers (PFPEs) were ionised in negative mode and detected as [M]–. ions. Only singly charged molecular species were observed for all oligomers under study, allowing for a rapid determination of the molecular weight and polydispersity metrics of polymers. At elevated DART gas temperatures (400–500°C) the molecular weight and polydispersity metrics compared fairly well with those obtained by GPC, with polymers whose masses ranged from 200 g.mol–1 to 4000 g.mol–1.\n\nCONCLUSIONS\n\nDART-MS allowed the direct and rapid analysis (mass spectra and tandem mass spectra of all the polymers were acquired in seconds) based on the exact masses of their [M+H]+ and [M+NH4]+ ions (in the positive mode) or [M]–. ions (for polymers having a high sensitivity toward electron-capture ionisation such as PFPEs), as well as the exact masses of their product ions, for both synthetic and natural polymers under ambient conditions without any sample pre-treatment. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {18},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Bridoux, Maxime C. and Machuron-Mandard, Xavier},\n\tyear = {2013},\n\tpages = {2057--2070},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Despite the widespread use of direct analysis in real time mass spectrometry (DART-MS), its capabilities in terms of accessible mass range and the types of polymers that can be analysed are not well known. The goal of this work was to evaluate the capabilities and limitations of this ionization technique combined with orbitrap mass spectrometry and tandem mass spectrometry, for the characterization (structural and polydispersity metrics) of various synthetic and natural polymers. METHODS The capabilities and limitations of DART-MS (and -MS2), using an orbitrap mass spectrometer, for polymer analysis were evaluated using various industrial synthetic polymers and biopolymers. Stainless steel mesh screens secured on a movable rail were used as the sampling surface, onto which 5 μL of various polymers dissolved in tetrahydrofuran were added. Assignment of spectral features and calculation of molecular weight and polydispersity metrics were performed using Polymerix™ software and the results were compared with those obtained by gel-permeation chromatography (GPC). RESULTS Protonated oligomers and ammonium adducts were instantaneously detected as the major ionisation products in positive ion mode. Only perfluoropolyethers (PFPEs) were ionised in negative mode and detected as [M]–. ions. Only singly charged molecular species were observed for all oligomers under study, allowing for a rapid determination of the molecular weight and polydispersity metrics of polymers. At elevated DART gas temperatures (400–500°C) the molecular weight and polydispersity metrics compared fairly well with those obtained by GPC, with polymers whose masses ranged from 200 g.mol–1 to 4000 g.mol–1. CONCLUSIONS DART-MS allowed the direct and rapid analysis (mass spectra and tandem mass spectra of all the polymers were acquired in seconds) based on the exact masses of their [M+H]+ and [M+NH4]+ ions (in the positive mode) or [M]–. ions (for polymers having a high sensitivity toward electron-capture ionisation such as PFPEs), as well as the exact masses of their product ions, for both synthetic and natural polymers under ambient conditions without any sample pre-treatment. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) Analysis of Skin Metabolome Changes in the Ultraviolet B-Induced Mice.\n \n \n \n \n\n\n \n Park, H. M.; Kim, H. J.; Jang, Y. P.; and Kim, S. Y.\n\n\n \n\n\n\n Biomolecules and Therapeutics, 21(6): 470–475. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{park_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) {Analysis} of {Skin} {Metabolome} {Changes} in the {Ultraviolet} {B}-{Induced} {Mice}},\n\tvolume = {21},\n\turl = {http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3879919/},\n\tabstract = {Ultraviolet (UV) radiation is a major environmental factor that leads to acute and chronic reactions in the human skin. UV exposure induces wrinkle formation, DNA damage, and generation of reactive oxygen species (ROS). Most mechanistic studies of skin physiology and pharmacology related with UV-irradiated skin have focused on proteins and their related gene expression or single- targeted small molecules. The present study identified and analyzed the alteration of skin metabolites following UVB irradiation and topical retinyl palmitate (RP, 5\\%) treatment in hairless mice using direct analysis in real time (DART) time-of-flight mass spectrometry (TOF-MS) with multivariate analysis. Under the negative ion mode, the DART ion source successfully ionized various fatty acids including palmitoleic and linolenic acid. From DART-TOF-MS fingerprints measured in positive mode, the prominent dehydrated ion peak (m/z: 369, M+H-H2O) of cholesterol was characterized in all three groups. In positive mode, the discrimination among three groups was much clearer than that in negative mode by using multivariate analysis of orthogonal partial-least squares-discriminant analysis (OPLS-DA). DART-TOF-MS can ionize various small organic molecules in living tissues and is an efficient alternative analytical tool for acquiring full chemical fingerprints from living tissues without requiring sample preparation. DART-MS measurement of skin tissue with multivariate analysis proved to be a powerful method to discriminate between experimental groups and to find biomarkers for various experiment models in skin dermatological research.},\n\tnumber = {6},\n\tjournal = {Biomolecules and Therapeutics},\n\tauthor = {Park, Hye Min and Kim, Hye Jin and Jang, Young Pyo and Kim, Sun Yeou},\n\tyear = {2013},\n\tpages = {470--475},\n}\n\n\n\n
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\n Ultraviolet (UV) radiation is a major environmental factor that leads to acute and chronic reactions in the human skin. UV exposure induces wrinkle formation, DNA damage, and generation of reactive oxygen species (ROS). Most mechanistic studies of skin physiology and pharmacology related with UV-irradiated skin have focused on proteins and their related gene expression or single- targeted small molecules. The present study identified and analyzed the alteration of skin metabolites following UVB irradiation and topical retinyl palmitate (RP, 5%) treatment in hairless mice using direct analysis in real time (DART) time-of-flight mass spectrometry (TOF-MS) with multivariate analysis. Under the negative ion mode, the DART ion source successfully ionized various fatty acids including palmitoleic and linolenic acid. From DART-TOF-MS fingerprints measured in positive mode, the prominent dehydrated ion peak (m/z: 369, M+H-H2O) of cholesterol was characterized in all three groups. In positive mode, the discrimination among three groups was much clearer than that in negative mode by using multivariate analysis of orthogonal partial-least squares-discriminant analysis (OPLS-DA). DART-TOF-MS can ionize various small organic molecules in living tissues and is an efficient alternative analytical tool for acquiring full chemical fingerprints from living tissues without requiring sample preparation. DART-MS measurement of skin tissue with multivariate analysis proved to be a powerful method to discriminate between experimental groups and to find biomarkers for various experiment models in skin dermatological research.\n
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\n \n\n \n \n \n \n \n \n Newborn screening of phenylketonuria using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Wang, C.; Zhu, H.; Cai, Z.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. February 2013.\n \n\n\n\n
\n\n\n\n \n \n \"NewbornPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wang_newborn_2013,\n\ttitle = {Newborn screening of phenylketonuria using direct analysis in real time ({DART}) mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6713-8},\n\tdoi = {10.1007/s00216-013-6713-8},\n\tabstract = {Phenylketonuria (PKU) is commonly included in the newborn screening panel of most countries, with various techniques being used for quantification of l-phenylalanine (Phe). To diagnose PKU as early as possible in newborn screening, a rapid and simple method of analysis was developed. Using direct analysis in real time (DART) ionization coupled with triple-quadrupole tandem mass spectrometry (TQ-MS/MS) and with use of a 12 DIP-it tip scanner autosampler in positive ion mode, we analyzed dried blood spot (DBS) samples from PKU newborns. The concentration of Phe was determined using multiple reaction monitoring mode with the nondeuterated internal standard N,N-dimethylphenylalanine. The results of the analysis of DBS samples from newborns indicated that the DART-TQ-MS/MS method is fast, accurate, and reproducible. The results prove that this assay as a newborn screen for PKU can be performed in 18 s per sample for the quantification of Phe in DBS samples. DART-TQ-MS/MS analysis of the Phe concentration in DBS samples allowed us to screen newborns for PKU. This innovative protocol is rapid and can be effectively applied on a routine basis to analyze a large number of samples in PKU newborn screening and PKU patient monitoring.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Wang, Chunyan and Zhu, Hongbin and Cai, Zongwei and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tmonth = feb,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time (DART) triple-quadrupole tandem mass spectrometry, Dried blood spot, Phenylalanine, Phenylketonuria},\n\tpages = {1--6},\n}\n\n\n\n
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\n Phenylketonuria (PKU) is commonly included in the newborn screening panel of most countries, with various techniques being used for quantification of l-phenylalanine (Phe). To diagnose PKU as early as possible in newborn screening, a rapid and simple method of analysis was developed. Using direct analysis in real time (DART) ionization coupled with triple-quadrupole tandem mass spectrometry (TQ-MS/MS) and with use of a 12 DIP-it tip scanner autosampler in positive ion mode, we analyzed dried blood spot (DBS) samples from PKU newborns. The concentration of Phe was determined using multiple reaction monitoring mode with the nondeuterated internal standard N,N-dimethylphenylalanine. The results of the analysis of DBS samples from newborns indicated that the DART-TQ-MS/MS method is fast, accurate, and reproducible. The results prove that this assay as a newborn screen for PKU can be performed in 18 s per sample for the quantification of Phe in DBS samples. DART-TQ-MS/MS analysis of the Phe concentration in DBS samples allowed us to screen newborns for PKU. This innovative protocol is rapid and can be effectively applied on a routine basis to analyze a large number of samples in PKU newborn screening and PKU patient monitoring.\n
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\n \n\n \n \n \n \n \n \n Rapid monitoring of heat-accelerated reactions in vegetable oils using direct analysis in real time ionization coupled with high resolution mass spectrometry.\n \n \n \n \n\n\n \n Vaclavik, L.; Belkova, B.; Reblova, Z.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Food Chemistry, 138(4): 2312–2320. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{vaclavik_rapid_2013,\n\ttitle = {Rapid monitoring of heat-accelerated reactions in vegetable oils using direct analysis in real time ionization coupled with high resolution mass spectrometry},\n\tvolume = {138},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814612019085},\n\tdoi = {10.1016/j.foodchem.2012.12.019},\n\tabstract = {Transmission-mode direct analysis in real time ionization coupled with high resolution mass spectrometry (TM-DART–HRMS) was used to monitor chemical changes in various vegetable oils (olive, rapeseed, soybean and sunflower oil) during their thermally-induced oxidation. This novel instrumental approach enabled rapid fingerprinting of examined samples and detection of numerous sample components, such as triacylglycerols (TAGs), phytosterols, free fatty acids (FFA), and their respective oxidation products. Mass spectra obtained from DART were processed with the use of principal component analysis (PCA) in order to assess the compositional differences between heated and non-heated samples. Good correlation was observed between the normalized intensities of the pre-selected ion corresponding to mono-oxidized TAG and ‘classic’ criterion represented by the levels of TAG polymers determined by high performance-size exclusion chromatography with refractometric detection (HP-SEC–RID).},\n\tnumber = {4},\n\tjournal = {Food Chemistry},\n\tauthor = {Vaclavik, Lukas and Belkova, Beverly and Reblova, Zuzana and Riddellova, Katerina and Hajslova, Jana},\n\tmonth = jun,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Heating, Oxidation, Vegetable oils, mass spectrometry},\n\tpages = {2312--2320},\n}\n\n\n\n
\n
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\n Transmission-mode direct analysis in real time ionization coupled with high resolution mass spectrometry (TM-DART–HRMS) was used to monitor chemical changes in various vegetable oils (olive, rapeseed, soybean and sunflower oil) during their thermally-induced oxidation. This novel instrumental approach enabled rapid fingerprinting of examined samples and detection of numerous sample components, such as triacylglycerols (TAGs), phytosterols, free fatty acids (FFA), and their respective oxidation products. Mass spectra obtained from DART were processed with the use of principal component analysis (PCA) in order to assess the compositional differences between heated and non-heated samples. Good correlation was observed between the normalized intensities of the pre-selected ion corresponding to mono-oxidized TAG and ‘classic’ criterion represented by the levels of TAG polymers determined by high performance-size exclusion chromatography with refractometric detection (HP-SEC–RID).\n
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\n \n\n \n \n \n \n \n \n DART-MS as a Preliminary Screening Method for “Herbal Incense”: Chemical Analysis of Synthetic Cannabinoids.\n \n \n \n \n\n\n \n Lesiak, A. D.; Musah, R. A.; Domin, M. A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Journal of Forensic Sciences,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DART-MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{lesiak_dart-ms_2013,\n\ttitle = {{DART}-{MS} as a {Preliminary} {Screening} {Method} for “{Herbal} {Incense}”: {Chemical} {Analysis} of {Synthetic} {Cannabinoids}},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12354},\n\tdoi = {10.1111/1556-4029.12354},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) served as a method for rapid high-throughput screening of six commercially available “Spice” products, detecting various combinations of five synthetic cannabinoids. Direct analysis in real time is an ambient ionization process that, along with high mass accuracy time-of-flight (TOF)-MS to 0.0001 Da, was employed to establish the presence of cannabinoids. Mass spectra were acquired by simply suspending a small portion of sample between the ion source and the mass spectrometer inlet. The ability to test minute amounts of sample is a major advantage when very limited amounts of evidentiary material are available. In addition, reports are widespread regarding the testing backlogs that now exist because of the large influx of designer drugs. This method circumvents time-consuming sample extraction, derivatization, chromatographic, and other sample preparative steps required for analysis by more conventional mass spectrometric methods. Accordingly, the synthetic cannabinoids AM-2201, JWH-122, JWH-203, JWH-210, and RCS-4 were identified in commercially available herbal Spice products, singly and in tandem, at concentrations within the range of 4–141 mg/g of material. Direct analysis in real time mass spectrometry decreases the time necessary to triage analytical evidence, and therefore, it has the potential to contribute to backlog reduction and more timely criminal prosecution.},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Lesiak, Ashton D. and Musah, Rabi A. and Domin, Marek A. and Shepard, Jason R. E.},\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, cannabinoids, designer drugs, forensic science, mass spectrometry},\n\tpages = {n/a--n/a},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) served as a method for rapid high-throughput screening of six commercially available “Spice” products, detecting various combinations of five synthetic cannabinoids. Direct analysis in real time is an ambient ionization process that, along with high mass accuracy time-of-flight (TOF)-MS to 0.0001 Da, was employed to establish the presence of cannabinoids. Mass spectra were acquired by simply suspending a small portion of sample between the ion source and the mass spectrometer inlet. The ability to test minute amounts of sample is a major advantage when very limited amounts of evidentiary material are available. In addition, reports are widespread regarding the testing backlogs that now exist because of the large influx of designer drugs. This method circumvents time-consuming sample extraction, derivatization, chromatographic, and other sample preparative steps required for analysis by more conventional mass spectrometric methods. Accordingly, the synthetic cannabinoids AM-2201, JWH-122, JWH-203, JWH-210, and RCS-4 were identified in commercially available herbal Spice products, singly and in tandem, at concentrations within the range of 4–141 mg/g of material. Direct analysis in real time mass spectrometry decreases the time necessary to triage analytical evidence, and therefore, it has the potential to contribute to backlog reduction and more timely criminal prosecution.\n
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\n \n\n \n \n \n \n \n \n Transmission mode direct analysis in real time mass spectrometry for fast untargeted metabolic fingerprinting.\n \n \n \n \n\n\n \n Jones, C. M.; and Fernández, F. M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(12): 1311–1318. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"TransmissionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jones_transmission_2013,\n\ttitle = {Transmission mode direct analysis in real time mass spectrometry for fast untargeted metabolic fingerprinting},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6566},\n\tdoi = {10.1002/rcm.6566},\n\tabstract = {RATIONALE \n \nUntargeted metabolic fingerprinting is a discovery tool to better understand biochemical processes involved in detecting and characterizing disease states and responses to environmental stressors. Although current mass spectrometric (MS) methods are very powerful, there is a clear need for more rapid, high-throughput MS approaches for metabolomics studies. \n \nMETHODS \n \nA rapid metabolic fingerprinting method for human blood sera that utilizes a new transmission mode direct analysis in real time (TM-DART) sampling technique coupled with quadrupole time of flight mass spectrometry (QTOFMS) is presented. In this approach, the sample is deposited directly on a stainless steel mesh that is held in the ionization region by a custom-built module. As a result, the DART plasma gas stream interacts with the sample in a flow-through fashion, which maximizes the interaction between the sample and ionizing species and minimizes variance in sample positioning. \n \nRESULTS \n \nThe optimization of TM-DART parameters directly affecting metabolite desorption and ionization, such as sample position and ionizing gas desorption temperature, was critical in achieving high sensitivity and detecting a broad mass range of metabolites. Ramping the ionizing gas desorption temperature further enhanced analysis by adding a simple separation dimension to this ambient approach. In terms of reproducibility, TM-DART compared favorably with traditional probe mode (PM-) DART analysis, with coefficients of variation as low as 16\\%. The longer-lasting TM-DART signals enabled the acquisition of metabolite full scan and product ion accurate mass spectra in a single experiment, resulting in greater confidence in metabolite identification. \n \nCONCLUSIONS \n \nTM-DART MS proved to be a powerful analytical technique for rapid metabolome analysis of human blood sera. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {12},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Jones, Christina M. and Fernández, Facundo M.},\n\tmonth = jun,\n\tyear = {2013},\n\tpages = {1311--1318},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n RATIONALE Untargeted metabolic fingerprinting is a discovery tool to better understand biochemical processes involved in detecting and characterizing disease states and responses to environmental stressors. Although current mass spectrometric (MS) methods are very powerful, there is a clear need for more rapid, high-throughput MS approaches for metabolomics studies. METHODS A rapid metabolic fingerprinting method for human blood sera that utilizes a new transmission mode direct analysis in real time (TM-DART) sampling technique coupled with quadrupole time of flight mass spectrometry (QTOFMS) is presented. In this approach, the sample is deposited directly on a stainless steel mesh that is held in the ionization region by a custom-built module. As a result, the DART plasma gas stream interacts with the sample in a flow-through fashion, which maximizes the interaction between the sample and ionizing species and minimizes variance in sample positioning. RESULTS The optimization of TM-DART parameters directly affecting metabolite desorption and ionization, such as sample position and ionizing gas desorption temperature, was critical in achieving high sensitivity and detecting a broad mass range of metabolites. Ramping the ionizing gas desorption temperature further enhanced analysis by adding a simple separation dimension to this ambient approach. In terms of reproducibility, TM-DART compared favorably with traditional probe mode (PM-) DART analysis, with coefficients of variation as low as 16%. The longer-lasting TM-DART signals enabled the acquisition of metabolite full scan and product ion accurate mass spectra in a single experiment, resulting in greater confidence in metabolite identification. CONCLUSIONS TM-DART MS proved to be a powerful analytical technique for rapid metabolome analysis of human blood sera. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Optimizing Accu Time-of-Flight/Direct Analysis in Real Time for Explosive Residue Analysis.\n \n \n \n \n\n\n \n Swider, J. R.\n\n\n \n\n\n\n Journal of Forensic Sciences,n/a–n/a. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{swider_optimizing_2013,\n\ttitle = {Optimizing {Accu} {Time}-of-{Flight}/{Direct} {Analysis} in {Real} {Time} for {Explosive} {Residue} {Analysis}},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12276},\n\tdoi = {10.1111/1556-4029.12276},\n\tabstract = {The use of a direct analysis in real time (DART) mass spectrometer (MS) instrument was optimized for 22 compounds of organic explosive residues to provide a guide for DART-MS users in rapid screening of explosive compounds. Samples were introduced as neat solutions and sequential dilutions to determine optimal instrument conditions and lowest concentration detectable. Most compounds were optimized to 250°C in the negative ion mode, and several compounds benefited from the addition of a chloride dopant from methylene chloride (amino-dinitrotoluenes, RDX, EGDN, and PETN). Few compounds were more sensitive in the positive ion mode (TEGDN, DEGDN, HNS, and DMNB). Mixtures of compounds were detected using clean room wipes, directly from their surfaces and from subsequent extractions. Compounds from the mixtures were also successfully detected in soil and from swipes of spiked surfaces. The instrument showed merit in detection of pg/μL solutions for most of the compounds and among the substrates tested.},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Swider, Joseph R.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Explosives, Time-of-flight, forensic science, mass spectrometry, residue},\n\tpages = {n/a--n/a},\n}\n\n\n\n
\n
\n\n\n
\n The use of a direct analysis in real time (DART) mass spectrometer (MS) instrument was optimized for 22 compounds of organic explosive residues to provide a guide for DART-MS users in rapid screening of explosive compounds. Samples were introduced as neat solutions and sequential dilutions to determine optimal instrument conditions and lowest concentration detectable. Most compounds were optimized to 250°C in the negative ion mode, and several compounds benefited from the addition of a chloride dopant from methylene chloride (amino-dinitrotoluenes, RDX, EGDN, and PETN). Few compounds were more sensitive in the positive ion mode (TEGDN, DEGDN, HNS, and DMNB). Mixtures of compounds were detected using clean room wipes, directly from their surfaces and from subsequent extractions. Compounds from the mixtures were also successfully detected in soil and from swipes of spiked surfaces. The instrument showed merit in detection of pg/μL solutions for most of the compounds and among the substrates tested.\n
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\n \n\n \n \n \n \n \n \n Evaluation of the Oxidation of Rice Husks with Sodium Hypochlorite Using Gas Chromatography-Mass Spectrometry and Direct Analysis in Real Time-Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, S.; Fan, X.; Zheng, A.; Lu, Y.; Wei, X.; Zhao, Y.; Wang, R.; Dou, Y.; Wang, Y.; Wang, C.; Zhang, F.; Shen, Y.; Li, C.; Liu, Z.; and Liu, D.\n\n\n \n\n\n\n Analytical Letters,null–null. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_evaluation_2013,\n\ttitle = {Evaluation of the {Oxidation} of {Rice} {Husks} with {Sodium} {Hypochlorite} {Using} {Gas} {Chromatography}-{Mass} {Spectrometry} and {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry}},\n\tissn = {0003-2719},\n\turl = {http://dx.doi.org/10.1080/00032719.2013.831425},\n\tdoi = {10.1080/00032719.2013.831425},\n\tabstract = {Rice husk powder was oxidized in aqueous sodium hypochlorite solution under mild conditions with different reaction time. Fourier transform infrared spectroscopy, gas chromatography-mass spectrometry (GC-MS), and direct analysis in real time-mass spectrometry (DART-MS) were used to analyze the oxidation products. Results showed that oxidation was a feasible way to depolymerize the macromolecules in the biomass and convert hydroxyl groups to carboxyl groups. In total, 113 organic compounds in oxidation products with molecular mass less than 500 Da were identified using GC-MS. As an ambient ionization technique, DART-MS was applied to the determination of biomass derivatives and revealed mass distribution and molecular structure information for the rice husk oxidation products.},\n\turldate = {2013-09-19},\n\tjournal = {Analytical Letters},\n\tauthor = {Wang, Shou-Ze and Fan, Xing and Zheng, Ai-Li and Lu, Yao and Wei, Xian-Yong and Zhao, Yun-Peng and Wang, Rui-Yu and Dou, You-Quan and Wang, Ying-Hua and Wang, Chu-Fan and Zhang, Fan and Shen, Yong and Li, Chun-Yan and Liu, Zheng and Liu, De-Ying},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
\n
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\n Rice husk powder was oxidized in aqueous sodium hypochlorite solution under mild conditions with different reaction time. Fourier transform infrared spectroscopy, gas chromatography-mass spectrometry (GC-MS), and direct analysis in real time-mass spectrometry (DART-MS) were used to analyze the oxidation products. Results showed that oxidation was a feasible way to depolymerize the macromolecules in the biomass and convert hydroxyl groups to carboxyl groups. In total, 113 organic compounds in oxidation products with molecular mass less than 500 Da were identified using GC-MS. As an ambient ionization technique, DART-MS was applied to the determination of biomass derivatives and revealed mass distribution and molecular structure information for the rice husk oxidation products.\n
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\n \n\n \n \n \n \n \n \n A novel sampling method for identification of endogenous skin surface compounds by use of DART-MS and MALDI-MS.\n \n \n \n \n\n\n \n Mess, A.; Enthaler, B.; Fischer, M.; Rapp, C.; Pruns, J. K.; and Vietzke, J.\n\n\n \n\n\n\n Talanta, 103: 398–402. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{mess_novel_2013,\n\ttitle = {A novel sampling method for identification of endogenous skin surface compounds by use of {DART}-{MS} and {MALDI}-{MS}},\n\tvolume = {103},\n\tissn = {00399140},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0039914012009046},\n\tdoi = {10.1016/j.talanta.2012.10.073},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Talanta},\n\tauthor = {Mess, Aylin and Enthaler, Bernd and Fischer, Markus and Rapp, Claudius and Pruns, Julia K. and Vietzke, Jens-Peter},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {DART-MS, DIP-it samplers, MALDI-MS, Skin surface compounds},\n\tpages = {398--402},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Monitoring batch-to-batch reproducibility using direct analysis in real time mass spectrometry and multivariate analysis: A case study on precipitation.\n \n \n \n \n\n\n \n Zeng, S.; Chen, T.; Wang, L.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 76(0): 87–95. March 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MonitoringPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zeng_monitoring_2013,\n\ttitle = {Monitoring batch-to-batch reproducibility using direct analysis in real time mass spectrometry and multivariate analysis: {A} case study on precipitation},\n\tvolume = {76},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708512006863},\n\tdoi = {10.1016/j.jpba.2012.12.014},\n\tabstract = {Batch-to-batch variability of traditional Chinese medicine (TCM) has already heavily limited its industrial development. By utilizing direct analysis in real time mass spectrometry (DART-MS) and multivariate statistical analysis, the present study introduced a novel and rapid methodology for TCM manufacturing process monitoring. Danshen alkaline precipitation was employed as an example operating unit to demonstrate the effectiveness of this new technique. A total of 15 batches run under normal operating conditions were used to develop a reference principal component analysis model and then enabled the establishment of multivariate control charts. Hotteling T2 and DModX charts were applied to examine batch-to-batch reproducibility of 12 test batches. Artificial variations including starting material change and process fault were identified, which was in a good agreement with conventional analysis result. Further understanding of the deviating process behavior was achieved by investigating the contribution plot of abnormal batches. The results showed that DART-MS, in conjunction with multivariate analysis, provided valuable information on model process and gave us a new perspective for TCM manufacturing process monitoring.},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Zeng, Shanshan and Chen, Teng and Wang, Lu and Qu, Haibin},\n\tmonth = mar,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Manufacturing process monitoring, Multivariate control charts, Traditional Chinese medicine, mass spectrometry},\n\tpages = {87--95},\n}\n\n\n\n
\n
\n\n\n
\n Batch-to-batch variability of traditional Chinese medicine (TCM) has already heavily limited its industrial development. By utilizing direct analysis in real time mass spectrometry (DART-MS) and multivariate statistical analysis, the present study introduced a novel and rapid methodology for TCM manufacturing process monitoring. Danshen alkaline precipitation was employed as an example operating unit to demonstrate the effectiveness of this new technique. A total of 15 batches run under normal operating conditions were used to develop a reference principal component analysis model and then enabled the establishment of multivariate control charts. Hotteling T2 and DModX charts were applied to examine batch-to-batch reproducibility of 12 test batches. Artificial variations including starting material change and process fault were identified, which was in a good agreement with conventional analysis result. Further understanding of the deviating process behavior was achieved by investigating the contribution plot of abnormal batches. The results showed that DART-MS, in conjunction with multivariate analysis, provided valuable information on model process and gave us a new perspective for TCM manufacturing process monitoring.\n
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\n \n\n \n \n \n \n \n \n Extraction-free In situ Derivatisation of Timosaponin AIII Using Direct Analysis in Real Time TOF/MS.\n \n \n \n \n\n\n \n Kim, H. J.; Park, S. R.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Extraction-freePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{kim_extraction-free_2013,\n\ttitle = {Extraction-free {In} situ {Derivatisation} of {Timosaponin} {AIII} {Using} {Direct} {Analysis} in {Real} {Time} {TOF}/{MS}},\n\tissn = {1099-1565},\n\turl = {http://dx.doi.org/10.1002/pca.2488},\n\tdoi = {10.1002/pca.2488},\n\tabstract = {Introduction\n\nDirect analysis in real time (DART) TOF/MS has been used for mass information of various non-polar phytochemicals in raw material with no sample preparation. However, low ionisation efficiency for polar compounds including glycosides limits its extensive use in the field of phytochemical analysis.\n\nObjective\n\nIn order to develop a direct analysis method for polar glycosides using in situ derivatisation, which improves ionisation efficiency of hydrophilic glycosides.\n\nMethod\n\nAnemarrhena Rhizoma was used as a model plant targeting on Timosaponin AIII utilising a Dip-It module. Permethylation was applied to the powdered raw material with tetramethylammonium hydroxide in front of a DART ion source. Also, DART TOF/MS combined with permethylation was applied to timosaponin AIII standard solution to obtain the limit of detection (LOD).\n\nResults\n\nIn situ methylation of timosaponin AIII and Anemarrhena Rhizoma raw material were successfully used to ionise the glycoside. The LOD was found to be in the range of 2.4–4.8 ng for permethylated timosaponin AIII and this level is four times higher than the range of the underivatisation analysis. Direct analysis of permethylated timosaponin from Anemarrhena Rhizoma was also successfully performed.\n\nConclusion\n\nA simple and quick derivatisation method with tetramethylammonium hydroxide was developed for the direct identification of a hydrophilic saponin from the plant tissue. Better ionisation efficiency conferred by in situ permethylation enabled ionisation of whole molecules of timosaponin AIII from the plant tissue. This simple analytical method will provide a solution to reduce tedious sample preparation steps, not only for non-polar but also hydrophilic natural products directly from the tissue. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Park, Se Ri and Jang, Young Pyo},\n\tyear = {2013},\n\tkeywords = {Anemarrhena asphodeloides Bunge, DART TOF/MS, in situ derivatisation, permethylation, timosaponin AIII},\n\tpages = {n/a--n/a},\n}\n\n\n\n
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\n Introduction Direct analysis in real time (DART) TOF/MS has been used for mass information of various non-polar phytochemicals in raw material with no sample preparation. However, low ionisation efficiency for polar compounds including glycosides limits its extensive use in the field of phytochemical analysis. Objective In order to develop a direct analysis method for polar glycosides using in situ derivatisation, which improves ionisation efficiency of hydrophilic glycosides. Method Anemarrhena Rhizoma was used as a model plant targeting on Timosaponin AIII utilising a Dip-It module. Permethylation was applied to the powdered raw material with tetramethylammonium hydroxide in front of a DART ion source. Also, DART TOF/MS combined with permethylation was applied to timosaponin AIII standard solution to obtain the limit of detection (LOD). Results In situ methylation of timosaponin AIII and Anemarrhena Rhizoma raw material were successfully used to ionise the glycoside. The LOD was found to be in the range of 2.4–4.8 ng for permethylated timosaponin AIII and this level is four times higher than the range of the underivatisation analysis. Direct analysis of permethylated timosaponin from Anemarrhena Rhizoma was also successfully performed. Conclusion A simple and quick derivatisation method with tetramethylammonium hydroxide was developed for the direct identification of a hydrophilic saponin from the plant tissue. Better ionisation efficiency conferred by in situ permethylation enabled ionisation of whole molecules of timosaponin AIII from the plant tissue. This simple analytical method will provide a solution to reduce tedious sample preparation steps, not only for non-polar but also hydrophilic natural products directly from the tissue. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Direct Peel Monitoring of Xenobiotics in Fruit by Direct Analysis in Real-Time Coupled to a Linear Quadrupole Ion Trap-Orbitrap Mass Spectrometer.\n \n \n \n \n\n\n \n Farré, M.; Pico, Y.; and Barcelo, D.\n\n\n \n\n\n\n Analytical Chemistry. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{farre_direct_2013,\n\ttitle = {Direct {Peel} {Monitoring} of {Xenobiotics} in {Fruit} by {Direct} {Analysis} in {Real}-{Time} {Coupled} to a {Linear} {Quadrupole} {Ion} {Trap}-{Orbitrap} {Mass} {Spectrometer}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3026702},\n\tdoi = {10.1021/ac3026702},\n\tabstract = {Study of xenobiotics present in fruits peel by exposing it (without any pre-treatment) to direct analysis in real time coupled to a high resolution orbitrap mass spectrometer (DART-HRMS) is reported for the first time. Variables as DART gas heater temperature and pressure, source-to-MS distance and sample velocity are investigated. The analysis of one sample by DART-MS lasts ca. 1 min, and the benefits of both high-resolution and tandem mass spectrometry to elucidate non-target or unknown compounds are combined. Identification of post-harvest fungicides, antioxidants and sugars in fruit peel is performed in the positive ion mode. Possible elemental formula is suggested for marker components. The lowest imazalil concentration that could be detected by this system is 1 ng (equivalent to a concentration of ca. 300 µg kg-1), which is well-below the maximum residue limit. For oranges and apples, direct peel exposition demonstrated good interday precision (within 20 \\% for any concentration) and proper linearity (R2≥0.99), with a dynamic range from 1 to 2500 ng for apple. A comparison of the results obtained using the direct peel screening DART-based method is made with those obtained by DART analysis of solvent extracts, as well as those obtained analyzing these extracts by Ultra High Performance Liquid Chromatography Orbitrap Mass Spectrometry (UHPLC-Orbitrap). The results are in good agreement. Thus, the proposed method proves to be quantitatively accurate with indisputable identification specificity. As an independent method, the approach of direct scanning of peel is of high interest and of potential future within food analysis to guarantee safety, quality and authenticity. ?},\n\turldate = {2013-02-05},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Farré, Marinella and Pico, Yolanda and Barcelo, Damia},\n\tmonth = jan,\n\tyear = {2013},\n}\n\n\n\n\n\n\n\n
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\n Study of xenobiotics present in fruits peel by exposing it (without any pre-treatment) to direct analysis in real time coupled to a high resolution orbitrap mass spectrometer (DART-HRMS) is reported for the first time. Variables as DART gas heater temperature and pressure, source-to-MS distance and sample velocity are investigated. The analysis of one sample by DART-MS lasts ca. 1 min, and the benefits of both high-resolution and tandem mass spectrometry to elucidate non-target or unknown compounds are combined. Identification of post-harvest fungicides, antioxidants and sugars in fruit peel is performed in the positive ion mode. Possible elemental formula is suggested for marker components. The lowest imazalil concentration that could be detected by this system is 1 ng (equivalent to a concentration of ca. 300 µg kg-1), which is well-below the maximum residue limit. For oranges and apples, direct peel exposition demonstrated good interday precision (within 20 % for any concentration) and proper linearity (R2≥0.99), with a dynamic range from 1 to 2500 ng for apple. A comparison of the results obtained using the direct peel screening DART-based method is made with those obtained by DART analysis of solvent extracts, as well as those obtained analyzing these extracts by Ultra High Performance Liquid Chromatography Orbitrap Mass Spectrometry (UHPLC-Orbitrap). The results are in good agreement. Thus, the proposed method proves to be quantitatively accurate with indisputable identification specificity. As an independent method, the approach of direct scanning of peel is of high interest and of potential future within food analysis to guarantee safety, quality and authenticity. ?\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART®) Ionization as a Tool for Rapid Screening and Characterization of Black Cohosh (Actaea racemosa) by MS Fingerprints.\n \n \n \n\n\n \n Crawford, E; Goguen, R; LaPointe, J; and Musselman, B\n\n\n \n\n\n\n Planta Med, 79(05): P117. 2013.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{crawford_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}®) {Ionization} as a {Tool} for {Rapid} {Screening} and {Characterization} of {Black} {Cohosh} ({Actaea} racemosa) by {MS} {Fingerprints}},\n\tvolume = {79},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0033-1336559},\n\tabstract = {Characterization of herbal dietary supplements has increasingly become a focus for regulatory bodies. In this study we have used a Direct Analysis in Real Time (DART) ambient ionization mass spectrometry method to characterize the major ionizable components in Black Cohosh (Actaea racemosa). Analysis of both the raw natural product and several commercial products labeled as containing Black Cohosh yielded wide variation in the mass spectral composition across the products. In order to permit more uniform sampling we choose to investigate quick extraction protocols with 0.1N acid, 0.1N base, and a published method for Black Cohosh sample prep [1]. The DART-MS experiment involves employing a thermal profile method for each extract using different gas temperatures (150 °C, 250 °C, and 350 °C) for desorption ionization and positive/negative ion mass spectrometric detection. Ferulic acid and caffeic acid desorption were optimized at 250 °C in the negative ion mode. Carbohydrates were detected at 150 °C and 250 °C in the positive ion spectra from the raw plant materials; however, they were not detected in all commercial products. The 250 °C positive and negative ion spectra proved to yield a large number of ions and these spectra were designated as the MS Fingerprint data. These MS Fingerprints were subsequently subjected to analysis using a statistical spectral matching program for automated chemometric analysis of the samples for differentiation.},\n\tlanguage = {EN},\n\tnumber = {05},\n\tjournal = {Planta Med},\n\tauthor = {Crawford, E and Goguen, R and LaPointe, J and Musselman, B},\n\tyear = {2013},\n\tpages = {P117},\n}\n\n\n\n
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\n Characterization of herbal dietary supplements has increasingly become a focus for regulatory bodies. In this study we have used a Direct Analysis in Real Time (DART) ambient ionization mass spectrometry method to characterize the major ionizable components in Black Cohosh (Actaea racemosa). Analysis of both the raw natural product and several commercial products labeled as containing Black Cohosh yielded wide variation in the mass spectral composition across the products. In order to permit more uniform sampling we choose to investigate quick extraction protocols with 0.1N acid, 0.1N base, and a published method for Black Cohosh sample prep [1]. The DART-MS experiment involves employing a thermal profile method for each extract using different gas temperatures (150 °C, 250 °C, and 350 °C) for desorption ionization and positive/negative ion mass spectrometric detection. Ferulic acid and caffeic acid desorption were optimized at 250 °C in the negative ion mode. Carbohydrates were detected at 150 °C and 250 °C in the positive ion spectra from the raw plant materials; however, they were not detected in all commercial products. The 250 °C positive and negative ion spectra proved to yield a large number of ions and these spectra were designated as the MS Fingerprint data. These MS Fingerprints were subsequently subjected to analysis using a statistical spectral matching program for automated chemometric analysis of the samples for differentiation.\n
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\n \n\n \n \n \n \n \n \n The Classification of Inkjet Inks Using AccuTOF™DART™ (Direct Analysis in Real Time) Mass Spectrometry—A Preliminary Study.\n \n \n \n \n\n\n \n Houlgrave, S.; LaPorte, G. M.; Stephens, J. C.; and Wilson, J. L.\n\n\n \n\n\n\n Journal of Forensic Sciences,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{houlgrave_classification_2013,\n\ttitle = {The {Classification} of {Inkjet} {Inks} {Using} {AccuTOF}™{DART}™ ({Direct} {Analysis} in {Real} {Time}) {Mass} {Spectrometry}—{A} {Preliminary} {Study}},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12048},\n\tdoi = {10.1111/1556-4029.12048},\n\tabstract = {A novel approach for the analysis of inkjet inks is being reported. A time-of-flight mass spectrometer, coupled with a Direct Analysis in Real Time (DART™) ion source (AccuTOF™ DART™), was used to determine if inkjet inks from various manufacturers and models of printers could be reliably differentiated, characterized, and identified. A total of 217 ink standards were analyzed. As inkjet printing often involves the use of multiple colors (e.g., cyan, magenta, yellow, and black) to form an image or text, two different approaches to creating a library of standards and sampling methods were evaluated for implementation in a standard operating procedure. This research will show that a microscopic examination of the region of interest is requisite to identify what colors were utilized during the printing process, prior to comparing with known standards. Finally, blind testing was administered with 10 unknown samples to assess the validity and accuracy of the methodology.},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Houlgrave, Stephanie and LaPorte, Gerald M. and Stephens, Joseph C. and Wilson, Justin L.},\n\tyear = {2013},\n\tkeywords = {DART™, Direct analysis in real time, forensic document examination, forensic science, ink analysis, inkjet inks, mass spectrometry, printers, questioned documents},\n\tpages = {n/a--n/a},\n}\n\n\n\n
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\n A novel approach for the analysis of inkjet inks is being reported. A time-of-flight mass spectrometer, coupled with a Direct Analysis in Real Time (DART™) ion source (AccuTOF™ DART™), was used to determine if inkjet inks from various manufacturers and models of printers could be reliably differentiated, characterized, and identified. A total of 217 ink standards were analyzed. As inkjet printing often involves the use of multiple colors (e.g., cyan, magenta, yellow, and black) to form an image or text, two different approaches to creating a library of standards and sampling methods were evaluated for implementation in a standard operating procedure. This research will show that a microscopic examination of the region of interest is requisite to identify what colors were utilized during the printing process, prior to comparing with known standards. Finally, blind testing was administered with 10 unknown samples to assess the validity and accuracy of the methodology.\n
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\n \n\n \n \n \n \n \n \n Rapid determination of 5-hydroxymethylfurfural by DART ionization with time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Rajchl, A.; Drgová, L.; Grégrová, A.; Čížková, H.; Ševčík, R.; and Voldřich, M.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–9. March 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{rajchl_rapid_2013,\n\ttitle = {Rapid determination of 5-hydroxymethylfurfural by {DART} ionization with time-of-flight mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6875-4},\n\tdoi = {10.1007/s00216-013-6875-4},\n\tabstract = {DART (direct analysis in real time), a novel technique with wide potential for rapid screening analysis, coupled with high-resolution time-of-flight mass spectrometry (TOF-MS) has been used for quantitative analysis of 5-hydroxymethylfurfural (5-HMF), a typical temperature marker of food. The DART/TOF-MS method was optimised and validated. Quantification of 5-HMF was achieved by use of a stable isotope-labelled 5-HMF standard prepared from glucose. Formation of 5-HMF from saccharides, a potential source of overestimation of results, was evaluated. Forty-four real samples (honey and caramelised condensed sweetened milk) and 50 model samples of heated honey were analysed. The possibility of using DART for analysis of heated samples of honey was confirmed. HPLC and DART/TOF-MS methods for determination of 5-HMF were compared. The correlation equation between these methods was DART = 1.0287HPLC + 0.21340, R 2 = 0.9557. The DART/TOF-MS method has been proved to enable efficient and rapid determination of 5-HMF in a variety of food matrices, for example honey and caramel.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Rajchl, Aleš and Drgová, Ladislava and Grégrová, Adéla and Čížková, Helena and Ševčík, Rudolf and Voldřich, Michal},\n\tmonth = mar,\n\tyear = {2013},\n\tkeywords = {5-HMF, Caramel, DART, HPLC, Honey, TOF-MS},\n\tpages = {1--9},\n}\n\n\n\n
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\n DART (direct analysis in real time), a novel technique with wide potential for rapid screening analysis, coupled with high-resolution time-of-flight mass spectrometry (TOF-MS) has been used for quantitative analysis of 5-hydroxymethylfurfural (5-HMF), a typical temperature marker of food. The DART/TOF-MS method was optimised and validated. Quantification of 5-HMF was achieved by use of a stable isotope-labelled 5-HMF standard prepared from glucose. Formation of 5-HMF from saccharides, a potential source of overestimation of results, was evaluated. Forty-four real samples (honey and caramelised condensed sweetened milk) and 50 model samples of heated honey were analysed. The possibility of using DART for analysis of heated samples of honey was confirmed. HPLC and DART/TOF-MS methods for determination of 5-HMF were compared. The correlation equation between these methods was DART = 1.0287HPLC + 0.21340, R 2 = 0.9557. The DART/TOF-MS method has been proved to enable efficient and rapid determination of 5-HMF in a variety of food matrices, for example honey and caramel.\n
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\n \n\n \n \n \n \n \n \n Analysis of writing inks on paper using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Jones, R. W.; and McClelland, J. F.\n\n\n \n\n\n\n Forensic Science International, 231(1–3): 73–81. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{jones_analysis_2013,\n\ttitle = {Analysis of writing inks on paper using direct analysis in real time mass spectrometry},\n\tvolume = {231},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813002399},\n\tdoi = {10.1016/j.forsciint.2013.04.016},\n\tabstract = {Abstract \nInk analysis is central to questioned document examination. We applied direct analysis in real time mass spectrometry (DART MS) to ballpoint, gel, and fluid writing ink analysis. DART MS acquires the mass spectrum of an ink while it is still on a document without altering the appearance of the document. Spectra were acquired from ink on a variety of papers, and the spectrum of the blank paper could be subtracted out to produce a cleanly isolated ink spectrum in most cases. Only certain heavy or heavily processed papers interfered. The time since an ink is written on paper has a large effect on its spectrum. DART spectra change radically during the first few months after an ink is written as the more volatile components evaporate, but the spectra stabilize after that. A library-search study involving 166 well-aged inks assessed the ability to identify inks from their DART spectra. The aggregate success rate was 92\\%.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Jones, Roger W. and McClelland, John F.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Ink, Ink identification, forensic science, mass spectrometry, questioned documents},\n\tpages = {73--81},\n}\n\n\n\n
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\n Abstract Ink analysis is central to questioned document examination. We applied direct analysis in real time mass spectrometry (DART MS) to ballpoint, gel, and fluid writing ink analysis. DART MS acquires the mass spectrum of an ink while it is still on a document without altering the appearance of the document. Spectra were acquired from ink on a variety of papers, and the spectrum of the blank paper could be subtracted out to produce a cleanly isolated ink spectrum in most cases. Only certain heavy or heavily processed papers interfered. The time since an ink is written on paper has a large effect on its spectrum. DART spectra change radically during the first few months after an ink is written as the more volatile components evaporate, but the spectra stabilize after that. A library-search study involving 166 well-aged inks assessed the ability to identify inks from their DART spectra. The aggregate success rate was 92%.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time-mass spectrometry (DART-MS) for rapid qualitative screening of toxic glycols in glycerin-containing products.\n \n \n \n \n\n\n \n Self, R. L.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{self_direct_2013,\n\ttitle = {Direct analysis in real time-mass spectrometry ({DART}-{MS}) for rapid qualitative screening of toxic glycols in glycerin-containing products},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708513001052},\n\tdoi = {10.1016/j.jpba.2013.02.037},\n\tabstract = {In 2007, the United States Food and Drug Administration released guidance recommending testing of glycerin used in regulated consumer products, such as cough syrup preparations, toothpaste, and other pharmaceutical and food products, for the toxic compounds ethylene glycol and diethylene glycol. Regulatory laboratories routinely test glycerin, and products containing glycerin or related compounds for these toxic glycols, using an official gas chromatographic method, to ensure the safety of these products. The current work describes a companion technique to compliment this GC-FID method utilizing Orbitrap mass spectrometry with direct analysis in real time ionization to rapidly screen these samples qualitatively, with results in as little as five seconds, with no sample preparation required. This allows the more time and resource intensive method to be reserved for those rare cases when these compounds are detected, potentially greatly improving laboratory efficiency. The technique was evaluated for qualitative sensitivity and repeatability, and compared against the GC-FID method. The method appears to perform well against these metrics.},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Self, Randy L.},\n\tyear = {2013},\n\tkeywords = {Diethylene glycol, Direct analysis in real time, Ethylene glycol, Glycerin, Orbitrap},\n}\n\n\n\n
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\n In 2007, the United States Food and Drug Administration released guidance recommending testing of glycerin used in regulated consumer products, such as cough syrup preparations, toothpaste, and other pharmaceutical and food products, for the toxic compounds ethylene glycol and diethylene glycol. Regulatory laboratories routinely test glycerin, and products containing glycerin or related compounds for these toxic glycols, using an official gas chromatographic method, to ensure the safety of these products. The current work describes a companion technique to compliment this GC-FID method utilizing Orbitrap mass spectrometry with direct analysis in real time ionization to rapidly screen these samples qualitatively, with results in as little as five seconds, with no sample preparation required. This allows the more time and resource intensive method to be reserved for those rare cases when these compounds are detected, potentially greatly improving laboratory efficiency. The technique was evaluated for qualitative sensitivity and repeatability, and compared against the GC-FID method. The method appears to perform well against these metrics.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) of Ionic Liquids.\n \n \n \n \n\n\n \n Mazzotta, M.; Pace, R.; Wallgren, B.; Morton, S.; Miller, K.; and Smith, D.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry,1–4. August 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{mazzotta_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) of {Ionic} {Liquids}},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-013-0696-8},\n\tdoi = {10.1007/s13361-013-0696-8},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) was used to analyze ionic liquids (ILs) containing either imidazolium or phosphonium cations combined with different types of inorganic and organic anions. Ionic liquids were directly inserted into the ionization source using a glass probe without dissolution into organic solvents. Mass spectra of the ILs were collected in both positive and negative mode with a linear ion-trap instrument. The intact cation of the compound was typically the dominant peak in positive mass spectra and cluster ion formation was present. Some individual anions were not readily observed in the negative mass spectra (based on the type of anion); however, the mass difference of adjacent cluster ions equal the mass of a complete IL and the anion mass could be verified by subtracting the known cation mass. The degree and intensity of the cluster ion formations was found to be dependent on the nature of the specific ILs as well as the DART temperature gas stream.},\n\tlanguage = {English},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Mazzotta, MichaelG. and Pace, RobertB. and Wallgren, BrandyN. and Morton, SamuelA. and Miller, KevinM. and Smith, DarrinL.},\n\tmonth = aug,\n\tyear = {2013},\n\tkeywords = {Ambient MS, Direct analysis in real time (DART), Ionic liquids, Qualitative MS},\n\tpages = {1--4},\n}\n\n\n\n
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\n Direct analysis in real time mass spectrometry (DART-MS) was used to analyze ionic liquids (ILs) containing either imidazolium or phosphonium cations combined with different types of inorganic and organic anions. Ionic liquids were directly inserted into the ionization source using a glass probe without dissolution into organic solvents. Mass spectra of the ILs were collected in both positive and negative mode with a linear ion-trap instrument. The intact cation of the compound was typically the dominant peak in positive mass spectra and cluster ion formation was present. Some individual anions were not readily observed in the negative mass spectra (based on the type of anion); however, the mass difference of adjacent cluster ions equal the mass of a complete IL and the anion mass could be verified by subtracting the known cation mass. The degree and intensity of the cluster ion formations was found to be dependent on the nature of the specific ILs as well as the DART temperature gas stream.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) of \"Bath Salt\" Cathinone Drug Mixtures.\n \n \n \n \n\n\n \n Lesiak, A.; Musah, R.; Cody, R. B; Domin, M. A.; Dane, J.; and Shepard, J. R. E.\n\n\n \n\n\n\n Analyst. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{lesiak_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) of "{Bath} {Salt}" {Cathinone} {Drug} {Mixtures}},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00360D},\n\tdoi = {10.1039/C3AN00360D},\n\tabstract = {Rapid and versatile direct analysis in real time mass spectrometry (DART-MS) methods were developed for detection and characterization of synthetic cathinone designer drugs, also known as "bath salts". The speed and efficiency associated with DART-MS testing of such highly unpredictable samples demonstrate the technique as an attractive alternative to conventional GC-MS and LC-MS methods. A series of isobaric and closely related synthetic cathinones, alone and in mixtures, were differentiated using high mass accuracy and in-source collision induced dissociation (CID). Crime laboratories have observed a dramatic rise in the use of these substances, which has caused sample testing backlogs, particularly since the myriad of closely structurally related compounds are challenging to efficiently differentiate. This challenge is compounded by the perpetual emergence of new structural variants as soon as older generation derivatives become scheduled. Because of the numerous chemical substances that fall into these categories, along with the varying composition and complexity of mixtures of these drugs, DART-MS CID has the potential to dramatically streamline sample analysis, minimize the number of sample preparation steps, and enable rapid characterization of emerging structural analogs.},\n\tjournal = {Analyst},\n\tauthor = {Lesiak, Ashton and Musah, Rabi and Cody, Robert B and Domin, Marek Adam and Dane, John and Shepard, Jason R. E.},\n\tyear = {2013},\n}\n\n\n\n
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\n Rapid and versatile direct analysis in real time mass spectrometry (DART-MS) methods were developed for detection and characterization of synthetic cathinone designer drugs, also known as \"bath salts\". The speed and efficiency associated with DART-MS testing of such highly unpredictable samples demonstrate the technique as an attractive alternative to conventional GC-MS and LC-MS methods. A series of isobaric and closely related synthetic cathinones, alone and in mixtures, were differentiated using high mass accuracy and in-source collision induced dissociation (CID). Crime laboratories have observed a dramatic rise in the use of these substances, which has caused sample testing backlogs, particularly since the myriad of closely structurally related compounds are challenging to efficiently differentiate. This challenge is compounded by the perpetual emergence of new structural variants as soon as older generation derivatives become scheduled. Because of the numerous chemical substances that fall into these categories, along with the varying composition and complexity of mixtures of these drugs, DART-MS CID has the potential to dramatically streamline sample analysis, minimize the number of sample preparation steps, and enable rapid characterization of emerging structural analogs.\n
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\n \n\n \n \n \n \n \n \n Fragmentation Behavior Studies of Chalcones Employing Direct Analysis in Real Time (DART).\n \n \n \n \n\n\n \n Rahman, M.; Attwa, M.; Ahmad, P.; Baseeruddin, M.; and Kadi, A.\n\n\n \n\n\n\n Mass Spectrometry Letters, 4: 30–33. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"FragmentationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{rahman_fragmentation_2013,\n\ttitle = {Fragmentation {Behavior} {Studies} of {Chalcones} {Employing} {Direct} {Analysis} in {Real} {Time} ({DART})},\n\tvolume = {4},\n\turl = {http://www.msletters.org},\n\tabstract = {Chalcones are naturally occurring, biologically active molecules generating interest from a wide range of research\napplications including synthetic methodology development, biological activity investigation and studying fragmentation patterns. In\nthis article, a series of chalcones has been synthesized and their fragmentation behavior was studied using modern ambient ionization\ntechnique Direct Analysis in Real Time (DART). DART ion source connected with an ion trap mass spectrometer was\nused for the fragmentation of various substituted chalcones. The chalcones were introduced to the DART source using a glass\ncapillary without sample preparation step. All the chalcones showed prominent molecular ion peaks [M]•+ corresponding to the\nstructures. Multistage mass spectral data MSn (MS2 and MS3) were collected for all the chalcones studied. The chalcones with\nsubstitutions at 3, 4 or 5 positions gave product ion peaks with the loss of a phenyl radical (Ph•) by radical initiated α-cleavage,\nwhile substitution at 2 position of chalcone in the A-ring gave a product ion peak with the loss of substituted styryl radical\n(PhCH = CH•). In case of the chalcones with the substituent at 4 positions in A and B rings gave both types of fragmentation patterns.\nIn conclusion, chalcones can be easily characterized using modern DART interface in very short time and efficiently\nwithout any cumbersome sample pretreatment.},\n\tjournal = {Mass Spectrometry Letters},\n\tauthor = {Rahman, Motiur and Attwa, Mohamed and Ahmad, Pervez and Baseeruddin, Mohammad and Kadi, Adnan},\n\tyear = {2013},\n\tpages = {30--33},\n}\n\n\n\n
\n
\n\n\n
\n Chalcones are naturally occurring, biologically active molecules generating interest from a wide range of research applications including synthetic methodology development, biological activity investigation and studying fragmentation patterns. In this article, a series of chalcones has been synthesized and their fragmentation behavior was studied using modern ambient ionization technique Direct Analysis in Real Time (DART). DART ion source connected with an ion trap mass spectrometer was used for the fragmentation of various substituted chalcones. The chalcones were introduced to the DART source using a glass capillary without sample preparation step. All the chalcones showed prominent molecular ion peaks [M]•+ corresponding to the structures. Multistage mass spectral data MSn (MS2 and MS3) were collected for all the chalcones studied. The chalcones with substitutions at 3, 4 or 5 positions gave product ion peaks with the loss of a phenyl radical (Ph•) by radical initiated α-cleavage, while substitution at 2 position of chalcone in the A-ring gave a product ion peak with the loss of substituted styryl radical (PhCH = CH•). In case of the chalcones with the substituent at 4 positions in A and B rings gave both types of fragmentation patterns. In conclusion, chalcones can be easily characterized using modern DART interface in very short time and efficiently without any cumbersome sample pretreatment.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) of Ionic Liquids.\n \n \n \n \n\n\n \n Mazzotta, M.; Pace, R.; Wallgren, B.; Morton, S.; Miller, K.; and Smith, D.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry,1–4. August 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{mazzotta_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) of {Ionic} {Liquids}},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-013-0696-8},\n\tdoi = {10.1007/s13361-013-0696-8},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) was used to analyze ionic liquids (ILs) containing either imidazolium or phosphonium cations combined with different types of inorganic and organic anions. Ionic liquids were directly inserted into the ionization source using a glass probe without dissolution into organic solvents. Mass spectra of the ILs were collected in both positive and negative mode with a linear ion-trap instrument. The intact cation of the compound was typically the dominant peak in positive mass spectra and cluster ion formation was present. Some individual anions were not readily observed in the negative mass spectra (based on the type of anion); however, the mass difference of adjacent cluster ions equal the mass of a complete IL and the anion mass could be verified by subtracting the known cation mass. The degree and intensity of the cluster ion formations was found to be dependent on the nature of the specific ILs as well as the DART temperature gas stream.},\n\tlanguage = {English},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Mazzotta, MichaelG. and Pace, RobertB. and Wallgren, BrandyN. and Morton, SamuelA. and Miller, KevinM. and Smith, DarrinL.},\n\tmonth = aug,\n\tyear = {2013},\n\tkeywords = {Ambient MS, Direct analysis in real time (DART), Ionic liquids, Qualitative MS},\n\tpages = {1--4},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) was used to analyze ionic liquids (ILs) containing either imidazolium or phosphonium cations combined with different types of inorganic and organic anions. Ionic liquids were directly inserted into the ionization source using a glass probe without dissolution into organic solvents. Mass spectra of the ILs were collected in both positive and negative mode with a linear ion-trap instrument. The intact cation of the compound was typically the dominant peak in positive mass spectra and cluster ion formation was present. Some individual anions were not readily observed in the negative mass spectra (based on the type of anion); however, the mass difference of adjacent cluster ions equal the mass of a complete IL and the anion mass could be verified by subtracting the known cation mass. The degree and intensity of the cluster ion formations was found to be dependent on the nature of the specific ILs as well as the DART temperature gas stream.\n
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\n \n\n \n \n \n \n \n \n Combined multivariate data analysis of high-performance thin-layer chromatography fingerprints and Direct Analysis in Real Time mass spectra for profiling of natural products like propolis.\n \n \n \n \n\n\n \n Morlock, G. E.; Ristivojevic, P.; and Chernetsova, E. S.\n\n\n \n\n\n\n Journal of Chromatography A, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CombinedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{morlock_combined_2013,\n\ttitle = {Combined multivariate data analysis of high-performance thin-layer chromatography fingerprints and {Direct} {Analysis} in {Real} {Time} mass spectra for profiling of natural products like propolis},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967313019341},\n\tdoi = {10.1016/j.chroma.2013.12.053},\n\tabstract = {Abstract\nSophisticated statistical tools are required to extract the full analytical power from high-performance thin-layer chromatography (HPTLC). Especially, the combination of HPTLC fingerprints (image) with chemometrics is rarely used so far. Also, the newly developed, instantaneous Direct Analysis in Real Time mass spectrometry (DART-MS) method is perspective for sample characterization and differentiation by multivariate data analysis. This is a first novel study on the differentiation of natural products using a combination of fast fingerprint techniques, like HPTLC and DART-MS, for multivariate data analysis. The results obtained by the chemometric evaluation of HPTLC and DART-MS data provided complementary information. The complexity, expense, and analysis time were significantly reduced due to the use of statistical tools for evaluation of fingerprints. The approach allowed categorizing 91 propolis samples from Germany and other locations based on their phenolic compound profile. A high level of confidence was obtained when combining orthogonal approaches (HPTLC and DART-MS) for ultrafast sample characterization. HPTLC with selective post-chromatographic derivatization provided information on polarity, functional groups and spectral properties of marker compounds, while information on possible elemental formulae of principal components (phenolic markers) was obtained by DART-MS.},\n\tnumber = {0},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Morlock, Gertrud E. and Ristivojevic, Petar and Chernetsova, Elena S.},\n\tyear = {2013},\n\tkeywords = {DART-MS, Fingerprint, High-performance thin-layer chromatography, Pattern recognition, Planar chromatography, Propolis},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Sophisticated statistical tools are required to extract the full analytical power from high-performance thin-layer chromatography (HPTLC). Especially, the combination of HPTLC fingerprints (image) with chemometrics is rarely used so far. Also, the newly developed, instantaneous Direct Analysis in Real Time mass spectrometry (DART-MS) method is perspective for sample characterization and differentiation by multivariate data analysis. This is a first novel study on the differentiation of natural products using a combination of fast fingerprint techniques, like HPTLC and DART-MS, for multivariate data analysis. The results obtained by the chemometric evaluation of HPTLC and DART-MS data provided complementary information. The complexity, expense, and analysis time were significantly reduced due to the use of statistical tools for evaluation of fingerprints. The approach allowed categorizing 91 propolis samples from Germany and other locations based on their phenolic compound profile. A high level of confidence was obtained when combining orthogonal approaches (HPTLC and DART-MS) for ultrafast sample characterization. HPTLC with selective post-chromatographic derivatization provided information on polarity, functional groups and spectral properties of marker compounds, while information on possible elemental formulae of principal components (phenolic markers) was obtained by DART-MS.\n
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\n \n\n \n \n \n \n \n \n On-line coupling of macroporous resin column chromatography with direct analysis in real time mass spectrometry utilizing a surface flowing mode sample holder.\n \n \n \n \n\n\n \n Zeng, S.; Wang, L.; Chen, T.; and Qu, H.\n\n\n \n\n\n\n Analytica Chimica Acta, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"On-linePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zeng_-line_2013,\n\ttitle = {On-line coupling of macroporous resin column chromatography with direct analysis in real time mass spectrometry utilizing a surface flowing mode sample holder},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267013015286},\n\tdoi = {10.1016/j.aca.2013.12.014},\n\tabstract = {Abstract\nA surface flowing mode sample holder was designed as an alternative sampling strategy for direct analysis in real time mass spectrometry (DART-MS). With the sample holder, the on-line coupling of macroporous resin column chromatography with DART-MS was explored and the then achieved through the sample holder. This new hyphenated system was employed to monitor the column chromatography elution process of Panax notoginseng's column chromatography. The effluent from macroporous resin column was first diluted and then mixed with a derivatization reagent on-line, and. After that, the mixture was then directly transferred into the ionization region of DART-MS by the sample holder. Notoginsenosides were methylated and ionized in a metastable helium gas stream, and was introduced then led into MS for the detection. Theis on-line system showed reasonable repeatability with the a relative standard deviations of 12.3\\% for the peak area. Three notoginsenosides, including i.e. notoginsenoside R1, ginsenoside Rb1 and ginsenoside Rg1, were simultaneously determined during the eluting process. The alteration of the chemical composition in the effluent was rapidly and accurately identified in 9 min, which agreed agreeing well with the off-line analysis determination output. Compared with UPLC method, The presented technique is was more sensitive and convenient compared to the traditional UPLC method. This studyThese results suggested that the surface flowing mode DART-MS could be used for has a good potential for the on-line process monitoring in the pharmaceutical industry.},\n\tnumber = {0},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zeng, Shanshan and Wang, Lu and Chen, Teng and Qu, Haibin},\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time mass spectrometry, Macroporous resin column chromatography, On-line monitoring, Panax notoginseng, Surface flowing mode sample holder},\n}\n\n\n\n
\n
\n\n\n
\n Abstract A surface flowing mode sample holder was designed as an alternative sampling strategy for direct analysis in real time mass spectrometry (DART-MS). With the sample holder, the on-line coupling of macroporous resin column chromatography with DART-MS was explored and the then achieved through the sample holder. This new hyphenated system was employed to monitor the column chromatography elution process of Panax notoginseng's column chromatography. The effluent from macroporous resin column was first diluted and then mixed with a derivatization reagent on-line, and. After that, the mixture was then directly transferred into the ionization region of DART-MS by the sample holder. Notoginsenosides were methylated and ionized in a metastable helium gas stream, and was introduced then led into MS for the detection. Theis on-line system showed reasonable repeatability with the a relative standard deviations of 12.3% for the peak area. Three notoginsenosides, including i.e. notoginsenoside R1, ginsenoside Rb1 and ginsenoside Rg1, were simultaneously determined during the eluting process. The alteration of the chemical composition in the effluent was rapidly and accurately identified in 9 min, which agreed agreeing well with the off-line analysis determination output. Compared with UPLC method, The presented technique is was more sensitive and convenient compared to the traditional UPLC method. This studyThese results suggested that the surface flowing mode DART-MS could be used for has a good potential for the on-line process monitoring in the pharmaceutical industry.\n
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\n \n\n \n \n \n \n \n \n Application of mixture analysis to crude materials from natural resources (IV)[1(a-c)]: identification of Glycyrrhiza species by direct Analysis in real time mass spectrometry (II).\n \n \n \n \n\n\n \n Fukuda, E; Uesawa, Y; Baba, M; and Okada, Y\n\n\n \n\n\n\n Natural product communications, 8(12): 1721–1724. December 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fukuda_application_2013,\n\ttitle = {Application of mixture analysis to crude materials from natural resources ({IV})[1(a-c)]: identification of {Glycyrrhiza} species by direct {Analysis} in real time mass spectrometry ({II}).},\n\tvolume = {8},\n\turl = {http://europepmc.org/abstract/MED/24555282},\n\tabstract = {In order to identify Glycyrrhiza species by chemical fingerprinting, the bark of the roots and stolons of Glycyrrhiza uralensis Fischer and G. glabra Linné were analyzed using DART (Direct Analysis in Real Time)-MS. The characteristic peaks of each species were determined statistically by volcano plot. This summarizes the relationship between the p-values of a statistical test and the magnitude of the difference in values of the samples in the groups. In this experiment, peaks that had a p value {\\textless}0.05 in the t test and Z2 absolute difference were defined as characteristic. As a result, characteristic peaks of G. uralensis were found at m/z 299, 315, 341, and 369. In contrast, characteristic peaks of G. glabra were found at m/z 323, 325, 337, 339, and 391. In conclusion, we found several characteristic peaks to distinguish G. uralensis and G. glabra by DART-MS using volcano plot. This method can be applied to identify the Glycyrrhiza species.},\n\tnumber = {12},\n\tjournal = {Natural product communications},\n\tauthor = {Fukuda, E and Uesawa, Y and Baba, M and Okada, Y},\n\tmonth = dec,\n\tyear = {2013},\n\tpages = {1721--1724},\n}\n\n\n\n
\n
\n\n\n
\n In order to identify Glycyrrhiza species by chemical fingerprinting, the bark of the roots and stolons of Glycyrrhiza uralensis Fischer and G. glabra Linné were analyzed using DART (Direct Analysis in Real Time)-MS. The characteristic peaks of each species were determined statistically by volcano plot. This summarizes the relationship between the p-values of a statistical test and the magnitude of the difference in values of the samples in the groups. In this experiment, peaks that had a p value \\textless0.05 in the t test and Z2 absolute difference were defined as characteristic. As a result, characteristic peaks of G. uralensis were found at m/z 299, 315, 341, and 369. In contrast, characteristic peaks of G. glabra were found at m/z 323, 325, 337, 339, and 391. In conclusion, we found several characteristic peaks to distinguish G. uralensis and G. glabra by DART-MS using volcano plot. This method can be applied to identify the Glycyrrhiza species.\n
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\n \n\n \n \n \n \n \n \n Quality by Design Study of the Direct Analysis in Real Time Mass Spectrometry Response.\n \n \n \n \n\n\n \n Wang, L.; Chen, T.; Zeng, S.; and Qu, H.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry,1–8. December 2013.\n \n\n\n\n
\n\n\n\n \n \n \"QualityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wang_quality_2013,\n\ttitle = {Quality by {Design} {Study} of the {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} {Response}},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-013-0779-6},\n\tdoi = {10.1007/s13361-013-0779-6},\n\tabstract = {A mass spectrometry method has been developed using the Quality by Design (QbD) principle. Direct analysis in real time mass spectrometry (DART-MS) was adopted to analyze a pharmaceutical preparation. A fishbone diagram for DART-MS and the Plackett-Burman design were utilized to evaluate the impact of a number of factors on the method performance. Multivariate regression and Pareto ranking analysis indicated that the temperature, determined distance, and sampler speed were statistically significant (P {\\textless} 0.05). Furthermore, the Box-Behnken design combined with response surface analysis was then employed to study the relationships between these three factors and the quality of the DART-MS analysis. The analytical design space of DART-MS was thus constructed and its robustness was validated. In this presented approach, method performance was mathematically described as a composite desirability function of the critical quality attributes (CQAs). Two terms of method validation, including analytical repeatability and method robustness, were carried out at an operating work point. Finally, the validated method was successfully applied to the pharmaceutical quality assurance in different manufacturing batches. These results revealed that the QbD concept was practical in DART-MS method development. Meanwhile, the determined quality was controlled by the analytical design space. This presented strategy provided a tutorial to the development of a robust QbD-compliant mass spectrometry method for industrial quality control.},\n\tlanguage = {English},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Wang, Lu and Chen, Teng and Zeng, Shanshan and Qu, Haibin},\n\tmonth = dec,\n\tyear = {2013},\n\tkeywords = {Analytical method development, Design space, Direct analysis in real time, Method robustness, Quality by design, mass spectrometry},\n\tpages = {1--8},\n}\n\n\n\n
\n
\n\n\n
\n A mass spectrometry method has been developed using the Quality by Design (QbD) principle. Direct analysis in real time mass spectrometry (DART-MS) was adopted to analyze a pharmaceutical preparation. A fishbone diagram for DART-MS and the Plackett-Burman design were utilized to evaluate the impact of a number of factors on the method performance. Multivariate regression and Pareto ranking analysis indicated that the temperature, determined distance, and sampler speed were statistically significant (P \\textless 0.05). Furthermore, the Box-Behnken design combined with response surface analysis was then employed to study the relationships between these three factors and the quality of the DART-MS analysis. The analytical design space of DART-MS was thus constructed and its robustness was validated. In this presented approach, method performance was mathematically described as a composite desirability function of the critical quality attributes (CQAs). Two terms of method validation, including analytical repeatability and method robustness, were carried out at an operating work point. Finally, the validated method was successfully applied to the pharmaceutical quality assurance in different manufacturing batches. These results revealed that the QbD concept was practical in DART-MS method development. Meanwhile, the determined quality was controlled by the analytical design space. This presented strategy provided a tutorial to the development of a robust QbD-compliant mass spectrometry method for industrial quality control.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) Analysis of Skin Metabolome Changes in the Ultraviolet B-Induced Mice.\n \n \n \n \n\n\n \n Park, H. M.; Kim, H. J.; Jang, Y. P.; and Kim, S. Y.\n\n\n \n\n\n\n Biomolecules and Therapeutics, 21(6): 470–475. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{park_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) {Analysis} of {Skin} {Metabolome} {Changes} in the {Ultraviolet} {B}-{Induced} {Mice}},\n\tvolume = {21},\n\turl = {http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3879919/},\n\tabstract = {Ultraviolet (UV) radiation is a major environmental factor that leads to acute and chronic reactions in the human skin. UV exposure induces wrinkle formation, DNA damage, and generation of reactive oxygen species (ROS). Most mechanistic studies of skin physiology and pharmacology related with UV-irradiated skin have focused on proteins and their related gene expression or single- targeted small molecules. The present study identified and analyzed the alteration of skin metabolites following UVB irradiation and topical retinyl palmitate (RP, 5\\%) treatment in hairless mice using direct analysis in real time (DART) time-of-flight mass spectrometry (TOF-MS) with multivariate analysis. Under the negative ion mode, the DART ion source successfully ionized various fatty acids including palmitoleic and linolenic acid. From DART-TOF-MS fingerprints measured in positive mode, the prominent dehydrated ion peak (m/z: 369, M+H-H2O) of cholesterol was characterized in all three groups. In positive mode, the discrimination among three groups was much clearer than that in negative mode by using multivariate analysis of orthogonal partial-least squares-discriminant analysis (OPLS-DA). DART-TOF-MS can ionize various small organic molecules in living tissues and is an efficient alternative analytical tool for acquiring full chemical fingerprints from living tissues without requiring sample preparation. DART-MS measurement of skin tissue with multivariate analysis proved to be a powerful method to discriminate between experimental groups and to find biomarkers for various experiment models in skin dermatological research.},\n\tnumber = {6},\n\tjournal = {Biomolecules and Therapeutics},\n\tauthor = {Park, Hye Min and Kim, Hye Jin and Jang, Young Pyo and Kim, Sun Yeou},\n\tyear = {2013},\n\tpages = {470--475},\n}\n\n\n\n
\n
\n\n\n
\n Ultraviolet (UV) radiation is a major environmental factor that leads to acute and chronic reactions in the human skin. UV exposure induces wrinkle formation, DNA damage, and generation of reactive oxygen species (ROS). Most mechanistic studies of skin physiology and pharmacology related with UV-irradiated skin have focused on proteins and their related gene expression or single- targeted small molecules. The present study identified and analyzed the alteration of skin metabolites following UVB irradiation and topical retinyl palmitate (RP, 5%) treatment in hairless mice using direct analysis in real time (DART) time-of-flight mass spectrometry (TOF-MS) with multivariate analysis. Under the negative ion mode, the DART ion source successfully ionized various fatty acids including palmitoleic and linolenic acid. From DART-TOF-MS fingerprints measured in positive mode, the prominent dehydrated ion peak (m/z: 369, M+H-H2O) of cholesterol was characterized in all three groups. In positive mode, the discrimination among three groups was much clearer than that in negative mode by using multivariate analysis of orthogonal partial-least squares-discriminant analysis (OPLS-DA). DART-TOF-MS can ionize various small organic molecules in living tissues and is an efficient alternative analytical tool for acquiring full chemical fingerprints from living tissues without requiring sample preparation. DART-MS measurement of skin tissue with multivariate analysis proved to be a powerful method to discriminate between experimental groups and to find biomarkers for various experiment models in skin dermatological research.\n
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\n \n\n \n \n \n \n \n \n Applications of Confined DART (Direct Analysis in Real Time) Ion Source for Online in vivo Analysis of Human Breath.\n \n \n \n \n\n\n \n Li, Y.\n\n\n \n\n\n\n Analytical Methods. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_applications_2013,\n\ttitle = {Applications of {Confined} {DART} ({Direct} {Analysis} in {Real} {Time}) {Ion} {Source} for {Online} in vivo {Analysis} of {Human} {Breath}},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY41406J},\n\tdoi = {10.1039/C3AY41406J},\n\tabstract = {Human breath is composed of many volatile metabolites that can potentially provide information about a person's health status. A sensitive assay to identify these volatile organic compounds as biomarker is ideal and important for early detection of many diseases. However, the diagnosis through online breath analysis based on mass spectrometry is difficult due to the low concentration of pertinent compounds in breath. The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique, which can efficiently ionize gaseous, liquid and solid samples with high throughput. A major problem in analysis of gaseous samples is its poor detection sensitivity due to open-air sampling. Recently, the confined DART ion source (cDART) was developed, where the plasma generated by the atmospheric pressure glow discharge ionizes gas-phase molecules in a Tee-shaped flow tube instead of open air. It leads to significant increase of ionization efficiency of gaseous samples. In this study, the cDART source was modified and applied in online analysis of exhaled breath. The limit of detection of the improved cDART source was determined to be at the level of low ppb. The cDART source was used in the real-time monitoring of an oral anesthetic drug. The concentration variations of two active ingredients in exhaled breath, menthol and benzocaine, and their metabolites with time were obtained. The results show that the cDART ion source is a powerful analytical tool to provide high sensitivity and high throughput analysis for volatile organic compounds in human breath, and can find potential applications in clinical diagnosis and therapy.},\n\tjournal = {Analytical Methods},\n\tauthor = {Li, Yue},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Human breath is composed of many volatile metabolites that can potentially provide information about a person's health status. A sensitive assay to identify these volatile organic compounds as biomarker is ideal and important for early detection of many diseases. However, the diagnosis through online breath analysis based on mass spectrometry is difficult due to the low concentration of pertinent compounds in breath. The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique, which can efficiently ionize gaseous, liquid and solid samples with high throughput. A major problem in analysis of gaseous samples is its poor detection sensitivity due to open-air sampling. Recently, the confined DART ion source (cDART) was developed, where the plasma generated by the atmospheric pressure glow discharge ionizes gas-phase molecules in a Tee-shaped flow tube instead of open air. It leads to significant increase of ionization efficiency of gaseous samples. In this study, the cDART source was modified and applied in online analysis of exhaled breath. The limit of detection of the improved cDART source was determined to be at the level of low ppb. The cDART source was used in the real-time monitoring of an oral anesthetic drug. The concentration variations of two active ingredients in exhaled breath, menthol and benzocaine, and their metabolites with time were obtained. The results show that the cDART ion source is a powerful analytical tool to provide high sensitivity and high throughput analysis for volatile organic compounds in human breath, and can find potential applications in clinical diagnosis and therapy.\n
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\n \n\n \n \n \n \n \n \n Evaluation of the Oxidation of Rice Husks with Sodium Hypochlorite Using Gas Chromatography-Mass Spectrometry and Direct Analysis in Real Time-Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, S.; Fan, X.; Zheng, A.; Lu, Y.; Wei, X.; Zhao, Y.; Wang, R.; Dou, Y.; Wang, Y.; Wang, C.; Zhang, F.; Shen, Y.; Li, C.; Liu, Z.; and Liu, D.\n\n\n \n\n\n\n Analytical Letters,null–null. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_evaluation_2013,\n\ttitle = {Evaluation of the {Oxidation} of {Rice} {Husks} with {Sodium} {Hypochlorite} {Using} {Gas} {Chromatography}-{Mass} {Spectrometry} and {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry}},\n\tissn = {0003-2719},\n\turl = {http://dx.doi.org/10.1080/00032719.2013.831425},\n\tdoi = {10.1080/00032719.2013.831425},\n\tabstract = {Rice husk powder was oxidized in aqueous sodium hypochlorite solution under mild conditions with different reaction time. Fourier transform infrared spectroscopy, gas chromatography-mass spectrometry (GC-MS), and direct analysis in real time-mass spectrometry (DART-MS) were used to analyze the oxidation products. Results showed that oxidation was a feasible way to depolymerize the macromolecules in the biomass and convert hydroxyl groups to carboxyl groups. In total, 113 organic compounds in oxidation products with molecular mass less than 500 Da were identified using GC-MS. As an ambient ionization technique, DART-MS was applied to the determination of biomass derivatives and revealed mass distribution and molecular structure information for the rice husk oxidation products.},\n\turldate = {2013-09-19},\n\tjournal = {Analytical Letters},\n\tauthor = {Wang, Shou-Ze and Fan, Xing and Zheng, Ai-Li and Lu, Yao and Wei, Xian-Yong and Zhao, Yun-Peng and Wang, Rui-Yu and Dou, You-Quan and Wang, Ying-Hua and Wang, Chu-Fan and Zhang, Fan and Shen, Yong and Li, Chun-Yan and Liu, Zheng and Liu, De-Ying},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
\n
\n\n\n
\n Rice husk powder was oxidized in aqueous sodium hypochlorite solution under mild conditions with different reaction time. Fourier transform infrared spectroscopy, gas chromatography-mass spectrometry (GC-MS), and direct analysis in real time-mass spectrometry (DART-MS) were used to analyze the oxidation products. Results showed that oxidation was a feasible way to depolymerize the macromolecules in the biomass and convert hydroxyl groups to carboxyl groups. In total, 113 organic compounds in oxidation products with molecular mass less than 500 Da were identified using GC-MS. As an ambient ionization technique, DART-MS was applied to the determination of biomass derivatives and revealed mass distribution and molecular structure information for the rice husk oxidation products.\n
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\n \n\n \n \n \n \n \n \n Optimizing Accu Time-of-Flight/Direct Analysis in Real Time for Explosive Residue Analysis.\n \n \n \n \n\n\n \n Swider, J. R.\n\n\n \n\n\n\n Journal of Forensic Sciences,n/a–n/a. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{swider_optimizing_2013,\n\ttitle = {Optimizing {Accu} {Time}-of-{Flight}/{Direct} {Analysis} in {Real} {Time} for {Explosive} {Residue} {Analysis}},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12276},\n\tdoi = {10.1111/1556-4029.12276},\n\tabstract = {The use of a direct analysis in real time (DART) mass spectrometer (MS) instrument was optimized for 22 compounds of organic explosive residues to provide a guide for DART-MS users in rapid screening of explosive compounds. Samples were introduced as neat solutions and sequential dilutions to determine optimal instrument conditions and lowest concentration detectable. Most compounds were optimized to 250°C in the negative ion mode, and several compounds benefited from the addition of a chloride dopant from methylene chloride (amino-dinitrotoluenes, RDX, EGDN, and PETN). Few compounds were more sensitive in the positive ion mode (TEGDN, DEGDN, HNS, and DMNB). Mixtures of compounds were detected using clean room wipes, directly from their surfaces and from subsequent extractions. Compounds from the mixtures were also successfully detected in soil and from swipes of spiked surfaces. The instrument showed merit in detection of pg/μL solutions for most of the compounds and among the substrates tested.},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Swider, Joseph R.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Explosives, Time-of-flight, forensic science, mass spectrometry, residue},\n\tpages = {n/a--n/a},\n}\n\n\n\n
\n
\n\n\n
\n The use of a direct analysis in real time (DART) mass spectrometer (MS) instrument was optimized for 22 compounds of organic explosive residues to provide a guide for DART-MS users in rapid screening of explosive compounds. Samples were introduced as neat solutions and sequential dilutions to determine optimal instrument conditions and lowest concentration detectable. Most compounds were optimized to 250°C in the negative ion mode, and several compounds benefited from the addition of a chloride dopant from methylene chloride (amino-dinitrotoluenes, RDX, EGDN, and PETN). Few compounds were more sensitive in the positive ion mode (TEGDN, DEGDN, HNS, and DMNB). Mixtures of compounds were detected using clean room wipes, directly from their surfaces and from subsequent extractions. Compounds from the mixtures were also successfully detected in soil and from swipes of spiked surfaces. The instrument showed merit in detection of pg/μL solutions for most of the compounds and among the substrates tested.\n
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\n \n\n \n \n \n \n \n \n Rapid monitoring of heat-accelerated reactions in vegetable oils using direct analysis in real time ionization coupled with high resolution mass spectrometry.\n \n \n \n \n\n\n \n Vaclavik, L.; Belkova, B.; Reblova, Z.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Food Chemistry, 138(4): 2312–2320. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{vaclavik_rapid_2013,\n\ttitle = {Rapid monitoring of heat-accelerated reactions in vegetable oils using direct analysis in real time ionization coupled with high resolution mass spectrometry},\n\tvolume = {138},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814612019085},\n\tdoi = {10.1016/j.foodchem.2012.12.019},\n\tabstract = {Transmission-mode direct analysis in real time ionization coupled with high resolution mass spectrometry (TM-DART–HRMS) was used to monitor chemical changes in various vegetable oils (olive, rapeseed, soybean and sunflower oil) during their thermally-induced oxidation. This novel instrumental approach enabled rapid fingerprinting of examined samples and detection of numerous sample components, such as triacylglycerols (TAGs), phytosterols, free fatty acids (FFA), and their respective oxidation products. Mass spectra obtained from DART were processed with the use of principal component analysis (PCA) in order to assess the compositional differences between heated and non-heated samples. Good correlation was observed between the normalized intensities of the pre-selected ion corresponding to mono-oxidized TAG and ‘classic’ criterion represented by the levels of TAG polymers determined by high performance-size exclusion chromatography with refractometric detection (HP-SEC–RID).},\n\tnumber = {4},\n\tjournal = {Food Chemistry},\n\tauthor = {Vaclavik, Lukas and Belkova, Beverly and Reblova, Zuzana and Riddellova, Katerina and Hajslova, Jana},\n\tmonth = jun,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Heating, Oxidation, Vegetable oils, mass spectrometry},\n\tpages = {2312--2320},\n}\n\n\n\n
\n
\n\n\n
\n Transmission-mode direct analysis in real time ionization coupled with high resolution mass spectrometry (TM-DART–HRMS) was used to monitor chemical changes in various vegetable oils (olive, rapeseed, soybean and sunflower oil) during their thermally-induced oxidation. This novel instrumental approach enabled rapid fingerprinting of examined samples and detection of numerous sample components, such as triacylglycerols (TAGs), phytosterols, free fatty acids (FFA), and their respective oxidation products. Mass spectra obtained from DART were processed with the use of principal component analysis (PCA) in order to assess the compositional differences between heated and non-heated samples. Good correlation was observed between the normalized intensities of the pre-selected ion corresponding to mono-oxidized TAG and ‘classic’ criterion represented by the levels of TAG polymers determined by high performance-size exclusion chromatography with refractometric detection (HP-SEC–RID).\n
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\n \n\n \n \n \n \n \n \n Extraction-free In situ Derivatisation of Timosaponin AIII Using Direct Analysis in Real Time TOF/MS.\n \n \n \n \n\n\n \n Kim, H. J.; Park, S. R.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Extraction-freePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kim_extraction-free_2013,\n\ttitle = {Extraction-free {In} situ {Derivatisation} of {Timosaponin} {AIII} {Using} {Direct} {Analysis} in {Real} {Time} {TOF}/{MS}},\n\tissn = {1099-1565},\n\turl = {http://dx.doi.org/10.1002/pca.2488},\n\tdoi = {10.1002/pca.2488},\n\tabstract = {Introduction\n\nDirect analysis in real time (DART) TOF/MS has been used for mass information of various non-polar phytochemicals in raw material with no sample preparation. However, low ionisation efficiency for polar compounds including glycosides limits its extensive use in the field of phytochemical analysis.\n\nObjective\n\nIn order to develop a direct analysis method for polar glycosides using in situ derivatisation, which improves ionisation efficiency of hydrophilic glycosides.\n\nMethod\n\nAnemarrhena Rhizoma was used as a model plant targeting on Timosaponin AIII utilising a Dip-It module. Permethylation was applied to the powdered raw material with tetramethylammonium hydroxide in front of a DART ion source. Also, DART TOF/MS combined with permethylation was applied to timosaponin AIII standard solution to obtain the limit of detection (LOD).\n\nResults\n\nIn situ methylation of timosaponin AIII and Anemarrhena Rhizoma raw material were successfully used to ionise the glycoside. The LOD was found to be in the range of 2.4–4.8 ng for permethylated timosaponin AIII and this level is four times higher than the range of the underivatisation analysis. Direct analysis of permethylated timosaponin from Anemarrhena Rhizoma was also successfully performed.\n\nConclusion\n\nA simple and quick derivatisation method with tetramethylammonium hydroxide was developed for the direct identification of a hydrophilic saponin from the plant tissue. Better ionisation efficiency conferred by in situ permethylation enabled ionisation of whole molecules of timosaponin AIII from the plant tissue. This simple analytical method will provide a solution to reduce tedious sample preparation steps, not only for non-polar but also hydrophilic natural products directly from the tissue. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Park, Se Ri and Jang, Young Pyo},\n\tyear = {2013},\n\tkeywords = {Anemarrhena asphodeloides Bunge, DART TOF/MS, in situ derivatisation, permethylation, timosaponin AIII},\n\tpages = {n/a--n/a},\n}\n\n\n\n
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\n\n\n
\n Introduction Direct analysis in real time (DART) TOF/MS has been used for mass information of various non-polar phytochemicals in raw material with no sample preparation. However, low ionisation efficiency for polar compounds including glycosides limits its extensive use in the field of phytochemical analysis. Objective In order to develop a direct analysis method for polar glycosides using in situ derivatisation, which improves ionisation efficiency of hydrophilic glycosides. Method Anemarrhena Rhizoma was used as a model plant targeting on Timosaponin AIII utilising a Dip-It module. Permethylation was applied to the powdered raw material with tetramethylammonium hydroxide in front of a DART ion source. Also, DART TOF/MS combined with permethylation was applied to timosaponin AIII standard solution to obtain the limit of detection (LOD). Results In situ methylation of timosaponin AIII and Anemarrhena Rhizoma raw material were successfully used to ionise the glycoside. The LOD was found to be in the range of 2.4–4.8 ng for permethylated timosaponin AIII and this level is four times higher than the range of the underivatisation analysis. Direct analysis of permethylated timosaponin from Anemarrhena Rhizoma was also successfully performed. Conclusion A simple and quick derivatisation method with tetramethylammonium hydroxide was developed for the direct identification of a hydrophilic saponin from the plant tissue. Better ionisation efficiency conferred by in situ permethylation enabled ionisation of whole molecules of timosaponin AIII from the plant tissue. This simple analytical method will provide a solution to reduce tedious sample preparation steps, not only for non-polar but also hydrophilic natural products directly from the tissue. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Sampler for Collection and Analysis of Low Vapor Pressure Chemical (LVPC) Particulates/Aerosols.\n \n \n \n \n\n\n \n Ewing, K. J.; Gibson, D.; Sanghera, J.; and Miklos, F.\n\n\n \n\n\n\n Analytical Chemistry, 85(20): 9508–9513. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"SamplerPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{ewing_sampler_2013,\n\ttitle = {Sampler for {Collection} and {Analysis} of {Low} {Vapor} {Pressure} {Chemical} ({LVPC}) {Particulates}/{Aerosols}},\n\tvolume = {85},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac401100r},\n\tdoi = {10.1021/ac401100r},\n\tabstract = {Detection of low vapor pressure chemicals (LVPCs) such as pesticides and other toxic/hazardous materials on various environmental surfaces as well as LVPC aerosols is a significant challenge for current vapor phase detectors. We describe a novel sampling device which utilizes stainless steel screens coated with a sticky polydimethylsiloxane coating for collecting LVPCs aerosolized off of a surface. Results are presented for the collection and detection of a pesticide simulant, dimethyl methylphosphonate sorbed onto silica gel (DMMP/SG), using direct analysis in real time-cylindrical ion trap mass spectrometry (DART-CITMS).},\n\tnumber = {20},\n\turldate = {2013-11-25},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Ewing, K. J. and Gibson, D. and Sanghera, J. and Miklos, F.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {9508--9513},\n}\n\n\n\n
\n
\n\n\n
\n Detection of low vapor pressure chemicals (LVPCs) such as pesticides and other toxic/hazardous materials on various environmental surfaces as well as LVPC aerosols is a significant challenge for current vapor phase detectors. We describe a novel sampling device which utilizes stainless steel screens coated with a sticky polydimethylsiloxane coating for collecting LVPCs aerosolized off of a surface. Results are presented for the collection and detection of a pesticide simulant, dimethyl methylphosphonate sorbed onto silica gel (DMMP/SG), using direct analysis in real time-cylindrical ion trap mass spectrometry (DART-CITMS).\n
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\n \n\n \n \n \n \n \n \n Identification of saccharides by using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Wang, Y.; Liu, L.; Ma, L.; and Liu, S.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wang_identification_2013,\n\ttitle = {Identification of saccharides by using direct analysis in real time ({DART}) mass spectrometry},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380613003461},\n\tdoi = {10.1016/j.ijms.2013.09.008},\n\tabstract = {Abstract\nDirect analysis in real time (DART) coupled with quadrupole time-of-flight mass spectrometry (Q-TOF-MS) was applied to investigate the different types of saccharides including ginseng oligosaccharide extract with minimal sample pretreatment. Helium gas temperature into the DART ion source was adjusted to find optimal ionization temperature for glucose in increments of 50oC from 50oC to 450oC. It was observed that gas temperature had a significant effect on signal intensity in DART Mass Spectra. The temperature for the glucose ionization should be at least 150oC, and the signal intensity reached optimal ionization state at 250oC. With the increase of a sugar chain, a higher gas temperature was needed for saccharide ionization. Interestingly, sugar cluster formation can be observed at 450oC for disaccharides and trisaccharides. It is found that the [M +NH4]+ ions of trisaccharide and ginseng oligosaccharides can be rarely produced without any derivatization even at 450oC. All the samples except five carbon monosaccharides can generate the m/z 198 ion, so it is difficult to determine whether a m/z 198 ion is the [M + NH4]+ ion of glucose or merely a sample fragment ion most likely an ammoniated monosaccharide fragment.},\n\tnumber = {0},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Wang, Yang and Liu, Li and Ma, Li and Liu, Shuying},\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Sacchrides, gingseng extract},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Direct analysis in real time (DART) coupled with quadrupole time-of-flight mass spectrometry (Q-TOF-MS) was applied to investigate the different types of saccharides including ginseng oligosaccharide extract with minimal sample pretreatment. Helium gas temperature into the DART ion source was adjusted to find optimal ionization temperature for glucose in increments of 50oC from 50oC to 450oC. It was observed that gas temperature had a significant effect on signal intensity in DART Mass Spectra. The temperature for the glucose ionization should be at least 150oC, and the signal intensity reached optimal ionization state at 250oC. With the increase of a sugar chain, a higher gas temperature was needed for saccharide ionization. Interestingly, sugar cluster formation can be observed at 450oC for disaccharides and trisaccharides. It is found that the [M +NH4]+ ions of trisaccharide and ginseng oligosaccharides can be rarely produced without any derivatization even at 450oC. All the samples except five carbon monosaccharides can generate the m/z 198 ion, so it is difficult to determine whether a m/z 198 ion is the [M + NH4]+ ion of glucose or merely a sample fragment ion most likely an ammoniated monosaccharide fragment.\n
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\n \n\n \n \n \n \n \n \n DART-MS for rapid, preliminary screening of urine for DMAA.\n \n \n \n \n\n\n \n Lesiak, A. D.; Adams, K. J.; Domin, M. A.; Henck, C.; and Shepard, J. R. E.\n\n\n \n\n\n\n Drug Testing and Analysis,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DART-MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{lesiak_dart-ms_2013,\n\ttitle = {{DART}-{MS} for rapid, preliminary screening of urine for {DMAA}},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.1540},\n\tdoi = {10.1002/dta.1540},\n\tabstract = {Dimethylamylamine (DMAA) is a sympathomimetic amine found in weight-loss/workout supplements or used as an appetite suppressant. DMAA is a stimulant that is banned by the World Anti-Doping Agency (WADA). Adverse health effects as well as fatalities have been implicated with its use. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization method that was employed to rapidly identify the presence of DMAA in various samples without any extraction or preparations whatsoever. DMAA was first identified in supplements, sampled directly in their solid forms. Furthermore, DMAA was detected directly in urine over 48 h as a means of indicating recent abuse of the substance. DART-MS analysis is instantaneous, and coupled with the high mass accuracy associated with the time-of-flight mass analyzer, results in unequivocal identification of the presence of DMAA. These features demonstrate DART-MS as an attractive potential alternative screening method for the presence of drugs and medications or for toxicological investigations. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Lesiak, Ashton D. and Adams, Kendra J. and Domin, Marek A. and Henck, Colin and Shepard, Jason R. E.},\n\tyear = {2013},\n\tkeywords = {DART-MS, DMAA, Direct analysis in real time mass spectrometry, collision induced dissociation, natural supplements, urine testing},\n\tpages = {n/a--n/a},\n}\n\n\n\n
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\n Dimethylamylamine (DMAA) is a sympathomimetic amine found in weight-loss/workout supplements or used as an appetite suppressant. DMAA is a stimulant that is banned by the World Anti-Doping Agency (WADA). Adverse health effects as well as fatalities have been implicated with its use. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization method that was employed to rapidly identify the presence of DMAA in various samples without any extraction or preparations whatsoever. DMAA was first identified in supplements, sampled directly in their solid forms. Furthermore, DMAA was detected directly in urine over 48 h as a means of indicating recent abuse of the substance. DART-MS analysis is instantaneous, and coupled with the high mass accuracy associated with the time-of-flight mass analyzer, results in unequivocal identification of the presence of DMAA. These features demonstrate DART-MS as an attractive potential alternative screening method for the presence of drugs and medications or for toxicological investigations. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Development of a rapid screening method to determine primary aromatic amines in kitchen utensils using direct analysis in real time mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Paseiro-Cerrato, R.; Noonan, G. O.; and Begley, T. H.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A,null–null. November 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DevelopmentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{paseiro-cerrato_development_2013,\n\ttitle = {Development of a rapid screening method to determine primary aromatic amines in kitchen utensils using direct analysis in real time mass spectrometry ({DART}-{MS})},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2013.867366},\n\tdoi = {10.1080/19440049.2013.867366},\n\tabstract = {Primary aromatic amines (PAAs) are a group of substances with undesirable health effects, that are used in a variety of commercial products. Several recent studies, using a number of screening and confirmatory methods, have reported the migration of PAAs from some kitchen utensils into acetic acid 3\\% (w/v). Many of these methods require significant sample preparation, therefore the aim of this work was to determine if direct analysis in real time mass spectrometry (DART-MS) could be utilized as a rapid screening tool for the determination of PAAs in kitchen utensils. DART-MS results from direct analysis of the utensil have been compared with results of PAA migration by ultra high performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) method. The UPLC-MS/MS method had excellent linearity, appropriate sensitivity (LOD ≤ 1.5 µg L?1; LOQ ≤ 4.5 µg L?1), repeatability from 2.4 to 13.2\\% and acceptable recoveries. DART-MS results were in good agreement with UPLC-MS/MS data, with 100\\% of non-compliant (PAA positive) samples successfully identified by DART-MS.},\n\turldate = {2013-11-27},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Paseiro-Cerrato, R. and Noonan, G. O. and Begley, T. H.},\n\tmonth = nov,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
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\n Primary aromatic amines (PAAs) are a group of substances with undesirable health effects, that are used in a variety of commercial products. Several recent studies, using a number of screening and confirmatory methods, have reported the migration of PAAs from some kitchen utensils into acetic acid 3% (w/v). Many of these methods require significant sample preparation, therefore the aim of this work was to determine if direct analysis in real time mass spectrometry (DART-MS) could be utilized as a rapid screening tool for the determination of PAAs in kitchen utensils. DART-MS results from direct analysis of the utensil have been compared with results of PAA migration by ultra high performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) method. The UPLC-MS/MS method had excellent linearity, appropriate sensitivity (LOD ≤ 1.5 µg L?1; LOQ ≤ 4.5 µg L?1), repeatability from 2.4 to 13.2% and acceptable recoveries. DART-MS results were in good agreement with UPLC-MS/MS data, with 100% of non-compliant (PAA positive) samples successfully identified by DART-MS.\n
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\n \n\n \n \n \n \n \n \n Capabilities and limitations of direct analysis in real time orbitrap mass spectrometry and tandem mass spectrometry for the analysis of synthetic and natural polymers.\n \n \n \n \n\n\n \n Bridoux, M. C.; and Machuron-Mandard, X.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(18): 2057–2070. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CapabilitiesPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bridoux_capabilities_2013,\n\ttitle = {Capabilities and limitations of direct analysis in real time orbitrap mass spectrometry and tandem mass spectrometry for the analysis of synthetic and natural polymers},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6664},\n\tdoi = {10.1002/rcm.6664},\n\tabstract = {RATIONALE\n\nDespite the widespread use of direct analysis in real time mass spectrometry (DART-MS), its capabilities in terms of accessible mass range and the types of polymers that can be analysed are not well known. The goal of this work was to evaluate the capabilities and limitations of this ionization technique combined with orbitrap mass spectrometry and tandem mass spectrometry, for the characterization (structural and polydispersity metrics) of various synthetic and natural polymers.\n\nMETHODS\n\nThe capabilities and limitations of DART-MS (and -MS2), using an orbitrap mass spectrometer, for polymer analysis were evaluated using various industrial synthetic polymers and biopolymers. Stainless steel mesh screens secured on a movable rail were used as the sampling surface, onto which 5 μL of various polymers dissolved in tetrahydrofuran were added. Assignment of spectral features and calculation of molecular weight and polydispersity metrics were performed using Polymerix™ software and the results were compared with those obtained by gel-permeation chromatography (GPC).\n\nRESULTS\n\nProtonated oligomers and ammonium adducts were instantaneously detected as the major ionisation products in positive ion mode. Only perfluoropolyethers (PFPEs) were ionised in negative mode and detected as [M]–. ions. Only singly charged molecular species were observed for all oligomers under study, allowing for a rapid determination of the molecular weight and polydispersity metrics of polymers. At elevated DART gas temperatures (400–500°C) the molecular weight and polydispersity metrics compared fairly well with those obtained by GPC, with polymers whose masses ranged from 200 g.mol–1 to 4000 g.mol–1.\n\nCONCLUSIONS\n\nDART-MS allowed the direct and rapid analysis (mass spectra and tandem mass spectra of all the polymers were acquired in seconds) based on the exact masses of their [M+H]+ and [M+NH4]+ ions (in the positive mode) or [M]–. ions (for polymers having a high sensitivity toward electron-capture ionisation such as PFPEs), as well as the exact masses of their product ions, for both synthetic and natural polymers under ambient conditions without any sample pre-treatment. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {18},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Bridoux, Maxime C. and Machuron-Mandard, Xavier},\n\tyear = {2013},\n\tpages = {2057--2070},\n}\n\n\n\n
\n
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\n RATIONALE Despite the widespread use of direct analysis in real time mass spectrometry (DART-MS), its capabilities in terms of accessible mass range and the types of polymers that can be analysed are not well known. The goal of this work was to evaluate the capabilities and limitations of this ionization technique combined with orbitrap mass spectrometry and tandem mass spectrometry, for the characterization (structural and polydispersity metrics) of various synthetic and natural polymers. METHODS The capabilities and limitations of DART-MS (and -MS2), using an orbitrap mass spectrometer, for polymer analysis were evaluated using various industrial synthetic polymers and biopolymers. Stainless steel mesh screens secured on a movable rail were used as the sampling surface, onto which 5 μL of various polymers dissolved in tetrahydrofuran were added. Assignment of spectral features and calculation of molecular weight and polydispersity metrics were performed using Polymerix™ software and the results were compared with those obtained by gel-permeation chromatography (GPC). RESULTS Protonated oligomers and ammonium adducts were instantaneously detected as the major ionisation products in positive ion mode. Only perfluoropolyethers (PFPEs) were ionised in negative mode and detected as [M]–. ions. Only singly charged molecular species were observed for all oligomers under study, allowing for a rapid determination of the molecular weight and polydispersity metrics of polymers. At elevated DART gas temperatures (400–500°C) the molecular weight and polydispersity metrics compared fairly well with those obtained by GPC, with polymers whose masses ranged from 200 g.mol–1 to 4000 g.mol–1. CONCLUSIONS DART-MS allowed the direct and rapid analysis (mass spectra and tandem mass spectra of all the polymers were acquired in seconds) based on the exact masses of their [M+H]+ and [M+NH4]+ ions (in the positive mode) or [M]–. ions (for polymers having a high sensitivity toward electron-capture ionisation such as PFPEs), as well as the exact masses of their product ions, for both synthetic and natural polymers under ambient conditions without any sample pre-treatment. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time ionization/quadrupole time-of-flight tandem mass spectrometry for rapid identification of iridoids glycosides and caffeoylquinic acids in Re Du Ning Injections.\n \n \n \n \n\n\n \n Li, Y.; Wang, Z.; Bi, Y.; Ding, G.; Sheng, L.; Brian, M.; Zhang, C.; Chen, J.; and Xiao, W.\n\n\n \n\n\n\n Analytical Methods. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_direct_2013,\n\ttitle = {Direct analysis in real time ionization/quadrupole time-of-flight tandem mass spectrometry for rapid identification of iridoids glycosides and caffeoylquinic acids in {Re} {Du} {Ning} {Injections}},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY41476K},\n\tdoi = {10.1039/C3AY41476K},\n\tabstract = {Here we report a rapid approach for qualitative analysis of iridoid glycosides and caffeoylquinic acids (CQAs) in Re Du Ning Injections using Direct Analysis in Real Time ionization source (DART) coupled to quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS). In this approach, DART/MS and DART MS/MS analysis in both negative and positive ion modes were performed to characterize two iridoid glycosides and six CQAs in reference solutions and Re Du Ning Injections. Fragmentation pathways of the two kinds of natural compounds were summarized. DART-MS tended to break down some labile bonds in di-CQAs, The di-CQAs yielded abundant fragment ions in the (-) mass scan spectra. Collision-induced dissociation techniques were used to fragment the precursor ions and the product ions. Moreover, differentiation of the isomers of CQAs was possible by using the relative peak abundance and characteristic ion species in MS/MS spectra. DART-MS was also employed to obtain a chemical fingerprint of Re Du Ning Injections for rapid qualitative analysis of this Chinese medicine preparation. DART/Q-TOF MS/MS has shown potential to be used as the real-time detection method for Re Du Ning Injections.},\n\tjournal = {Analytical Methods},\n\tauthor = {Li, Yan-Jing and Wang, Zhen-Zhong and Bi, Yu-An and Ding, Gang and Sheng, Long-Sheng and Brian, Musselman and Zhang, Chen-Feng and Chen, Jun and Xiao, Wei},\n\tyear = {2013},\n}\n\n\n\n
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\n\n\n
\n Here we report a rapid approach for qualitative analysis of iridoid glycosides and caffeoylquinic acids (CQAs) in Re Du Ning Injections using Direct Analysis in Real Time ionization source (DART) coupled to quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS). In this approach, DART/MS and DART MS/MS analysis in both negative and positive ion modes were performed to characterize two iridoid glycosides and six CQAs in reference solutions and Re Du Ning Injections. Fragmentation pathways of the two kinds of natural compounds were summarized. DART-MS tended to break down some labile bonds in di-CQAs, The di-CQAs yielded abundant fragment ions in the (-) mass scan spectra. Collision-induced dissociation techniques were used to fragment the precursor ions and the product ions. Moreover, differentiation of the isomers of CQAs was possible by using the relative peak abundance and characteristic ion species in MS/MS spectra. DART-MS was also employed to obtain a chemical fingerprint of Re Du Ning Injections for rapid qualitative analysis of this Chinese medicine preparation. DART/Q-TOF MS/MS has shown potential to be used as the real-time detection method for Re Du Ning Injections.\n
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\n \n\n \n \n \n \n \n \n DIRECT ANALYSIS IN REAL TIME / TIME OF FLIGHT MASS SPECTROMETRY: INVESTIGATIONS ON PARAMETERS FOR THE COUPLING WITH LIQUID PHASE SAMPLE INTRODUCTION TECHNIQUES.\n \n \n \n \n\n\n \n Hintersteiner, I.; Hertsens, R.; and Klampfl, C. W.\n\n\n \n\n\n\n Journal of Liquid Chromatography & Related Technologies,null–null. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DIRECTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{hintersteiner_direct_2013,\n\ttitle = {{DIRECT} {ANALYSIS} {IN} {REAL} {TIME} / {TIME} {OF} {FLIGHT} {MASS} {SPECTROMETRY}: {INVESTIGATIONS} {ON} {PARAMETERS} {FOR} {THE} {COUPLING} {WITH} {LIQUID} {PHASE} {SAMPLE} {INTRODUCTION} {TECHNIQUES}},\n\tissn = {1082-6076},\n\turl = {http://dx.doi.org/10.1080/10826076.2013.825846},\n\tdoi = {10.1080/10826076.2013.825846},\n\tabstract = {Studies for the evaluation of a lab made liquid jet interface designed for the coupling of Direct Analysis in Real Time (DART) time-of-flight mass spectrometry (TOF-MS) with liquid phase sample introduction systems such as flow injection analysis (FIA) or high performance liquid chromatography (HPLC) have been performed. Thereby a substantial influence of parameters like surface/volume ratio (determined by the inner diameter of the capillary employed) of the liquid jet as well as the composition of the eluent (with respect to the concentration of electrolyte and organic solvent) on signal intensities could be detected. Comparison of the developed interface with other more common interface types (based on electrospray ionization, atmospheric pressure chemical ionization and atmospheric pressure photoionization) was carried out on the example of a test mixture containing four parabens spiked into biological fluid samples. DART ionization proved superior when employed in combination with FIA as it was less affected by matrix effects resulting in ionization suppression. On the other hand if at least partial separation of the matrix/analytes was performed by using short chromatographic columns, the other ionization techniques turned out to be the better choice primarily due to their increased sensitivity.},\n\turldate = {2013-09-19},\n\tjournal = {Journal of Liquid Chromatography \\& Related Technologies},\n\tauthor = {Hintersteiner, Ingrid and Hertsens, Robert and Klampfl, Christian W.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
\n
\n\n\n
\n Studies for the evaluation of a lab made liquid jet interface designed for the coupling of Direct Analysis in Real Time (DART) time-of-flight mass spectrometry (TOF-MS) with liquid phase sample introduction systems such as flow injection analysis (FIA) or high performance liquid chromatography (HPLC) have been performed. Thereby a substantial influence of parameters like surface/volume ratio (determined by the inner diameter of the capillary employed) of the liquid jet as well as the composition of the eluent (with respect to the concentration of electrolyte and organic solvent) on signal intensities could be detected. Comparison of the developed interface with other more common interface types (based on electrospray ionization, atmospheric pressure chemical ionization and atmospheric pressure photoionization) was carried out on the example of a test mixture containing four parabens spiked into biological fluid samples. DART ionization proved superior when employed in combination with FIA as it was less affected by matrix effects resulting in ionization suppression. On the other hand if at least partial separation of the matrix/analytes was performed by using short chromatographic columns, the other ionization techniques turned out to be the better choice primarily due to their increased sensitivity.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time—a critical review on DART-MS.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–18. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{gross_direct_2013,\n\ttitle = {Direct analysis in real time—a critical review on {DART}-{MS}},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-7316-0},\n\tdoi = {10.1007/s00216-013-7316-0},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) has become an established technique for rapid mass spectral analysis of a large variety of samples. DART-MS is capable of analyzing the sample at atmospheric pressure, essentially in the open laboratory environment. DART-MS can be applied to compounds that have been deposited or adsorbed on to surfaces or that are being desorbed therefrom into the atmosphere. This makes DART-MS suitable and well-known for analysis of ingredients of plant materials, pesticide monitoring on vegetables, forensic and safety applications such as screening for traces of explosives, warfare agents, or illicit drugs on luggage, clothes, or bank notes, etc. DART can also be used for analysis of either solid or liquid bulk materials, as may be required in quality control, or to quickly investigate the identity of a compound from chemical synthesis. Even living organisms can be subjected to DART-MS. Driven by different needs in analytical practice, the combination of the DART ionization source and interface can be configured in multiple geometries and with various accessories to adapt the setup as required. Analysis by DART-MS relies on some sort of gas-phase ionization mechanism. In DART, initial generation of the ionizing species is by use of a corona discharge in a pure helium atmosphere which delivers excited helium atoms that, upon their release into the atmosphere, will initiate a cascade of gas-phase reactions. In the end, this results in reagent ions created from atmospheric water or (solvent) vapor in the vicinity of the surface subject to analysis where they effect a chemical ionization process. DART ionization processes may generate positive or negative ions, predominantly even-electron species, but odd-electron species do also occur. The prevailing process of analyte ion formation from a given sample is highly dependent on analyte properties.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Ambient mass spectrometry, DART, Direct analysis in real time, Ionization, Rapid screening},\n\tpages = {1--18},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) has become an established technique for rapid mass spectral analysis of a large variety of samples. DART-MS is capable of analyzing the sample at atmospheric pressure, essentially in the open laboratory environment. DART-MS can be applied to compounds that have been deposited or adsorbed on to surfaces or that are being desorbed therefrom into the atmosphere. This makes DART-MS suitable and well-known for analysis of ingredients of plant materials, pesticide monitoring on vegetables, forensic and safety applications such as screening for traces of explosives, warfare agents, or illicit drugs on luggage, clothes, or bank notes, etc. DART can also be used for analysis of either solid or liquid bulk materials, as may be required in quality control, or to quickly investigate the identity of a compound from chemical synthesis. Even living organisms can be subjected to DART-MS. Driven by different needs in analytical practice, the combination of the DART ionization source and interface can be configured in multiple geometries and with various accessories to adapt the setup as required. Analysis by DART-MS relies on some sort of gas-phase ionization mechanism. In DART, initial generation of the ionizing species is by use of a corona discharge in a pure helium atmosphere which delivers excited helium atoms that, upon their release into the atmosphere, will initiate a cascade of gas-phase reactions. In the end, this results in reagent ions created from atmospheric water or (solvent) vapor in the vicinity of the surface subject to analysis where they effect a chemical ionization process. DART ionization processes may generate positive or negative ions, predominantly even-electron species, but odd-electron species do also occur. The prevailing process of analyte ion formation from a given sample is highly dependent on analyte properties.\n
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\n \n\n \n \n \n \n \n \n DART-MS as a Preliminary Screening Method for “Herbal Incense”: Chemical Analysis of Synthetic Cannabinoids.\n \n \n \n \n\n\n \n Lesiak, A. D.; Musah, R. A.; Domin, M. A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Journal of Forensic Sciences,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DART-MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{lesiak_dart-ms_2013,\n\ttitle = {{DART}-{MS} as a {Preliminary} {Screening} {Method} for “{Herbal} {Incense}”: {Chemical} {Analysis} of {Synthetic} {Cannabinoids}},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12354},\n\tdoi = {10.1111/1556-4029.12354},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) served as a method for rapid high-throughput screening of six commercially available “Spice” products, detecting various combinations of five synthetic cannabinoids. Direct analysis in real time is an ambient ionization process that, along with high mass accuracy time-of-flight (TOF)-MS to 0.0001 Da, was employed to establish the presence of cannabinoids. Mass spectra were acquired by simply suspending a small portion of sample between the ion source and the mass spectrometer inlet. The ability to test minute amounts of sample is a major advantage when very limited amounts of evidentiary material are available. In addition, reports are widespread regarding the testing backlogs that now exist because of the large influx of designer drugs. This method circumvents time-consuming sample extraction, derivatization, chromatographic, and other sample preparative steps required for analysis by more conventional mass spectrometric methods. Accordingly, the synthetic cannabinoids AM-2201, JWH-122, JWH-203, JWH-210, and RCS-4 were identified in commercially available herbal Spice products, singly and in tandem, at concentrations within the range of 4–141 mg/g of material. Direct analysis in real time mass spectrometry decreases the time necessary to triage analytical evidence, and therefore, it has the potential to contribute to backlog reduction and more timely criminal prosecution.},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Lesiak, Ashton D. and Musah, Rabi A. and Domin, Marek A. and Shepard, Jason R. E.},\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, cannabinoids, designer drugs, forensic science, mass spectrometry},\n\tpages = {n/a--n/a},\n}\n\n\n\n
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\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) served as a method for rapid high-throughput screening of six commercially available “Spice” products, detecting various combinations of five synthetic cannabinoids. Direct analysis in real time is an ambient ionization process that, along with high mass accuracy time-of-flight (TOF)-MS to 0.0001 Da, was employed to establish the presence of cannabinoids. Mass spectra were acquired by simply suspending a small portion of sample between the ion source and the mass spectrometer inlet. The ability to test minute amounts of sample is a major advantage when very limited amounts of evidentiary material are available. In addition, reports are widespread regarding the testing backlogs that now exist because of the large influx of designer drugs. This method circumvents time-consuming sample extraction, derivatization, chromatographic, and other sample preparative steps required for analysis by more conventional mass spectrometric methods. Accordingly, the synthetic cannabinoids AM-2201, JWH-122, JWH-203, JWH-210, and RCS-4 were identified in commercially available herbal Spice products, singly and in tandem, at concentrations within the range of 4–141 mg/g of material. Direct analysis in real time mass spectrometry decreases the time necessary to triage analytical evidence, and therefore, it has the potential to contribute to backlog reduction and more timely criminal prosecution.\n
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\n \n\n \n \n \n \n \n \n Determination of cocaine and methadone in urine samples by thin-film solid-phase microextraction and direct analysis in real time (DART) coupled with tandem mass spectrometry.\n \n \n \n \n\n\n \n Rodriguez-Lafuente, A.; Mirnaghi, F.; and Pawliszyn, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–5. May 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{rodriguez-lafuente_determination_2013,\n\ttitle = {Determination of cocaine and methadone in urine samples by thin-film solid-phase microextraction and direct analysis in real time ({DART}) coupled with tandem mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6993-z},\n\tdoi = {10.1007/s00216-013-6993-z},\n\tabstract = {The use of thin-film solid-phase microextraction (SPME) as the sampling preparation step before direct analysis in real time (DART) was evaluated for the determination of two prohibited doping substances, cocaine and methadone, in urine samples. Results showed that thin-film SPME improves the detectability of these compounds: signal-to-blank ratios of 5 (cocaine) and 13 (methadone) were obtained in the analysis of 0.5 ng/ml in human urine. Thin-film SPME also provides efficient sample cleanup, avoiding contamination of the ion source by salt residues from the urine samples. Extraction time was established in 10 min, thus providing relatively short analysis time and high throughput when combined with a 96-well shaker and coupled with DART technique.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Rodriguez-Lafuente, Angel and Mirnaghi, FatemehS. and Pawliszyn, Janusz},\n\tmonth = may,\n\tyear = {2013},\n\tkeywords = {DART, Doping, Thin-film SPME, Urine},\n\tpages = {1--5},\n}\n\n\n\n
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\n The use of thin-film solid-phase microextraction (SPME) as the sampling preparation step before direct analysis in real time (DART) was evaluated for the determination of two prohibited doping substances, cocaine and methadone, in urine samples. Results showed that thin-film SPME improves the detectability of these compounds: signal-to-blank ratios of 5 (cocaine) and 13 (methadone) were obtained in the analysis of 0.5 ng/ml in human urine. Thin-film SPME also provides efficient sample cleanup, avoiding contamination of the ion source by salt residues from the urine samples. Extraction time was established in 10 min, thus providing relatively short analysis time and high throughput when combined with a 96-well shaker and coupled with DART technique.\n
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\n \n\n \n \n \n \n \n What Is the Opposite of Pandora’s Box? Direct Analysis, Ambient Ionization, and a New Generation of Atmospheric Pressure Ion Sources.\n \n \n \n\n\n \n Cody, R. B.\n\n\n \n\n\n\n Mass Spectrometry, 2(Special_Issue): S0007–S0007. 2013.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{cody_what_2013,\n\ttitle = {What {Is} the {Opposite} of {Pandora}’s {Box}? {Direct} {Analysis}, {Ambient} {Ionization}, and a {New} {Generation} of {Atmospheric} {Pressure} {Ion} {Sources}},\n\tvolume = {2},\n\tabstract = {The introduction of DART and DESI sources approximately seven years ago led to the development of a new series of atmospheric pressure ion sources referred to as “ambient ionization” sources. These fall into two major categories: spray techniques like DESI or plasma techniques like DART. The selectivity of “direct ionization,” meaning analysis without chromatography and with little or no sample preparation, depends on the mass spectrometer selectivity. Although high resolution and tandem mass spectrometry are valuable tools, rapid and simple sample preparation methods can improve the utility of ambient ionization methods. The concept of ambient ionization has led to the realization that there are many more ways to form ions than might be expected. An interesting example is the use of a flint-and-steel spark source to generate ions from compounds such as phenolphthalein and Gramicidin S.},\n\tnumber = {Special\\_Issue},\n\tjournal = {Mass Spectrometry},\n\tauthor = {Cody, Robert B.},\n\tyear = {2013},\n\tpages = {S0007--S0007},\n}\n\n\n\n
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\n The introduction of DART and DESI sources approximately seven years ago led to the development of a new series of atmospheric pressure ion sources referred to as “ambient ionization” sources. These fall into two major categories: spray techniques like DESI or plasma techniques like DART. The selectivity of “direct ionization,” meaning analysis without chromatography and with little or no sample preparation, depends on the mass spectrometer selectivity. Although high resolution and tandem mass spectrometry are valuable tools, rapid and simple sample preparation methods can improve the utility of ambient ionization methods. The concept of ambient ionization has led to the realization that there are many more ways to form ions than might be expected. An interesting example is the use of a flint-and-steel spark source to generate ions from compounds such as phenolphthalein and Gramicidin S.\n
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\n \n\n \n \n \n \n \n \n The use HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS for rapid analysis of degradation by oxidation and sonication of an azo dye.\n \n \n \n \n\n\n \n Djelal, H.; Cornée, C.; Tartivel, R.; Lavastre, O.; and Amrane, A.\n\n\n \n\n\n\n Arabian Journal of Chemistry, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{djelal_use_2013,\n\ttitle = {The use {HPTLC} and {Direct} {Analysis} in {Real} {Time}-{Of}-{Flight} {Mass} {Spectrometry} {DART}-{TOF}-{MS} for rapid analysis of degradation by oxidation and sonication of an azo dye},\n\tissn = {1878-5352},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1878535213001676},\n\tdoi = {10.1016/j.arabjc.2013.06.003},\n\tabstract = {Abstract \nAdvanced oxidation processes are efficient for the removal of recalcitrant compounds, like azo-dyes. However, the intermediates produced during their degradation can be more toxic than the parent compounds. Improving the knowledge concerning the degradation pathways may be therefore helpful to optimize the process. In this aim, HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS were considered and applied to analyze the sono-oxidation of an azo dye, methyl red sodium salt (MRSS) as a model compound. Initial and final UV-Vis spectra showed a clear disappearance of the maximum absorption peak, but shows limit since it cannot allow by-products identification. MRSS degradation was confirmed by HPTLC, which also confirmed that MRSS degradation was mainly due to oxidation, while in the considered experimental conditions the sonication effect appeared negligible. Three major peaks were observed by DART-TOF-MS after MRSS oxidation, m/z=139.002, m/z=223.073 and m/z=279.137, Relative abundance of m/z=139.002, which was much higher after oxidation, tends to prove that a large proportion of initial oxydized MRSS was fragmented. The MRSS m/z = 270.078. The coupling of HPTLC and DART-TOF-MS may be subsequently considered to identify the oxidation reaction products.},\n\tnumber = {0},\n\tjournal = {Arabian Journal of Chemistry},\n\tauthor = {Djelal, Hayet and Cornée, Carole and Tartivel, Ronan and Lavastre, Olivier and Amrane, Abdeltif},\n\tyear = {2013},\n\tkeywords = {Azo dyes, DART-TOF-MS, HPTLC, MRSS, Sono-oxidation},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Advanced oxidation processes are efficient for the removal of recalcitrant compounds, like azo-dyes. However, the intermediates produced during their degradation can be more toxic than the parent compounds. Improving the knowledge concerning the degradation pathways may be therefore helpful to optimize the process. In this aim, HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS were considered and applied to analyze the sono-oxidation of an azo dye, methyl red sodium salt (MRSS) as a model compound. Initial and final UV-Vis spectra showed a clear disappearance of the maximum absorption peak, but shows limit since it cannot allow by-products identification. MRSS degradation was confirmed by HPTLC, which also confirmed that MRSS degradation was mainly due to oxidation, while in the considered experimental conditions the sonication effect appeared negligible. Three major peaks were observed by DART-TOF-MS after MRSS oxidation, m/z=139.002, m/z=223.073 and m/z=279.137, Relative abundance of m/z=139.002, which was much higher after oxidation, tends to prove that a large proportion of initial oxydized MRSS was fragmented. The MRSS m/z = 270.078. The coupling of HPTLC and DART-TOF-MS may be subsequently considered to identify the oxidation reaction products.\n
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\n \n\n \n \n \n \n \n \n Analysis of writing inks on paper using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Jones, R. W.; and McClelland, J. F.\n\n\n \n\n\n\n Forensic Science International, 231(1–3): 73–81. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{jones_analysis_2013,\n\ttitle = {Analysis of writing inks on paper using direct analysis in real time mass spectrometry},\n\tvolume = {231},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813002399},\n\tdoi = {10.1016/j.forsciint.2013.04.016},\n\tabstract = {Abstract \nInk analysis is central to questioned document examination. We applied direct analysis in real time mass spectrometry (DART MS) to ballpoint, gel, and fluid writing ink analysis. DART MS acquires the mass spectrum of an ink while it is still on a document without altering the appearance of the document. Spectra were acquired from ink on a variety of papers, and the spectrum of the blank paper could be subtracted out to produce a cleanly isolated ink spectrum in most cases. Only certain heavy or heavily processed papers interfered. The time since an ink is written on paper has a large effect on its spectrum. DART spectra change radically during the first few months after an ink is written as the more volatile components evaporate, but the spectra stabilize after that. A library-search study involving 166 well-aged inks assessed the ability to identify inks from their DART spectra. The aggregate success rate was 92\\%.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Jones, Roger W. and McClelland, John F.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Ink, Ink identification, forensic science, mass spectrometry, questioned documents},\n\tpages = {73--81},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Ink analysis is central to questioned document examination. We applied direct analysis in real time mass spectrometry (DART MS) to ballpoint, gel, and fluid writing ink analysis. DART MS acquires the mass spectrum of an ink while it is still on a document without altering the appearance of the document. Spectra were acquired from ink on a variety of papers, and the spectrum of the blank paper could be subtracted out to produce a cleanly isolated ink spectrum in most cases. Only certain heavy or heavily processed papers interfered. The time since an ink is written on paper has a large effect on its spectrum. DART spectra change radically during the first few months after an ink is written as the more volatile components evaporate, but the spectra stabilize after that. A library-search study involving 166 well-aged inks assessed the ability to identify inks from their DART spectra. The aggregate success rate was 92%.\n
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\n \n\n \n \n \n \n \n \n High-throughput differentiation of heparin from other glycosaminoglycans by pyrolysis mass spectrometry.\n \n \n \n \n\n\n \n Nemes, P.; Hoover, W. J; and Keire, D. A.\n\n\n \n\n\n\n Analytical Chemistry. July 2013.\n \n\n\n\n
\n\n\n\n \n \n \"High-throughputPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{nemes_high-throughput_2013,\n\ttitle = {High-throughput differentiation of heparin from other glycosaminoglycans by pyrolysis mass spectrometry},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac401318q},\n\tdoi = {10.1021/ac401318q},\n\tabstract = {Sensors with high chemical specificity and enhanced sample throughput are vital to screening food products and medical devices for chemical or biochemical contaminants that may pose a significant threat to public health. For example, the rapid detection of oversulfated chondroitin sulfate (OSCS) in heparin could prevent reoccurrence of this adulterant that caused hundreds of severe adverse events including deaths worldwide in 2007?2008. Here, rapid pyrolysis is integrated with direct analysis in real time (DART) mass spectrometry to rapidly screen major glycosaminoglycans, including: heparin, chondroitin sulfate A, dermatan sulfate, and OSCS. The results demonstrate that, compared to traditional liquid chromatography-based analyses, pyrolysis mass spectrometry achieved at least 250-fold higher sample throughput and was compatible with samples volume-limited to about 300 nL. Pyrolysis yielded an abundance of fragment ions (e.g., 150 different m/z species), many of which were specific to the parent compound. Using multivariate and statistical data analysis models, these data enabled facile differentiation of the glycosaminoglycans with high throughput. After method development was completed, authentically contaminated samples obtained during the heparin crisis by the FDA were analyzed in a blinded manner for OSCS contamination. The lower limit of differentiation and detection were 0.1\\% (w/w) OSCS in heparin and 100 ng/µL (20 ng) OSCS in water, respectively. For quantitative purposes the linear dynamic range spanned approximately three orders of magnitude. Moreover, this chemical readout was successfully employed to find clues in the manufacturing history of the heparin samples that can be used for surveillance purposes. The presented technology and data analysis protocols are anticipated to be readily adaptable to other chemical and biochemical agents and volume-limited samples.},\n\turldate = {2013-07-16},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nemes, Peter and Hoover, William J and Keire, David A.},\n\tmonth = jul,\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Sensors with high chemical specificity and enhanced sample throughput are vital to screening food products and medical devices for chemical or biochemical contaminants that may pose a significant threat to public health. For example, the rapid detection of oversulfated chondroitin sulfate (OSCS) in heparin could prevent reoccurrence of this adulterant that caused hundreds of severe adverse events including deaths worldwide in 2007?2008. Here, rapid pyrolysis is integrated with direct analysis in real time (DART) mass spectrometry to rapidly screen major glycosaminoglycans, including: heparin, chondroitin sulfate A, dermatan sulfate, and OSCS. The results demonstrate that, compared to traditional liquid chromatography-based analyses, pyrolysis mass spectrometry achieved at least 250-fold higher sample throughput and was compatible with samples volume-limited to about 300 nL. Pyrolysis yielded an abundance of fragment ions (e.g., 150 different m/z species), many of which were specific to the parent compound. Using multivariate and statistical data analysis models, these data enabled facile differentiation of the glycosaminoglycans with high throughput. After method development was completed, authentically contaminated samples obtained during the heparin crisis by the FDA were analyzed in a blinded manner for OSCS contamination. The lower limit of differentiation and detection were 0.1% (w/w) OSCS in heparin and 100 ng/µL (20 ng) OSCS in water, respectively. For quantitative purposes the linear dynamic range spanned approximately three orders of magnitude. Moreover, this chemical readout was successfully employed to find clues in the manufacturing history of the heparin samples that can be used for surveillance purposes. The presented technology and data analysis protocols are anticipated to be readily adaptable to other chemical and biochemical agents and volume-limited samples.\n
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\n \n\n \n \n \n \n \n \n Detection of drugs in latent fingermarks by two mass spectrometric methods.\n \n \n \n \n\n\n \n Lim, A. Y.; Rowell, F J; Elumbaring-Salazar, C. G.; Loke, J.; and Ma, J.\n\n\n \n\n\n\n Analytical Methods. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lim_detection_2013,\n\ttitle = {Detection of drugs in latent fingermarks by two mass spectrometric methods},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY40538A},\n\tdoi = {10.1039/C3AY40538A},\n\tabstract = {The ability of two mass spectrometric methods, surface assisted laser desorption ionization mass spectrometry (SALDI-MS) and direct analysis in real time mass spectrometry (DART-MS), to detect the presence of 5 drugs in latent fingermarks has been examined. It was found that each drug could be detected with good sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-MS. In contrast, for latent marks lifted from 3 surfaces (ceramic tile, wood laminate and backing of adhesive tape), no drug could be detected in dusted marks on the surface of a commercial lifting tape by DART-MS due to high background interference from the tape material, whereas all the drugs could be detected by SALDI-MS on equivalent marks. Also, it was demonstrated that drug-spiked latent fingermarks pre-dusted with regular fingerprint powder and lifted using conventional lifting tape could be redeveloped with carbon black doped silica particles to enable MS interrogation via SALDI-MS.},\n\tjournal = {Analytical Methods},\n\tauthor = {Lim, Angelina Yimei and Rowell, F J and Elumbaring-Salazar, Cheryl Grace and Loke, Jason and Ma, Jan},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n The ability of two mass spectrometric methods, surface assisted laser desorption ionization mass spectrometry (SALDI-MS) and direct analysis in real time mass spectrometry (DART-MS), to detect the presence of 5 drugs in latent fingermarks has been examined. It was found that each drug could be detected with good sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-MS. In contrast, for latent marks lifted from 3 surfaces (ceramic tile, wood laminate and backing of adhesive tape), no drug could be detected in dusted marks on the surface of a commercial lifting tape by DART-MS due to high background interference from the tape material, whereas all the drugs could be detected by SALDI-MS on equivalent marks. Also, it was demonstrated that drug-spiked latent fingermarks pre-dusted with regular fingerprint powder and lifted using conventional lifting tape could be redeveloped with carbon black doped silica particles to enable MS interrogation via SALDI-MS.\n
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\n \n\n \n \n \n \n \n \n Characterization of Blood in an Encrustation on an African Mask: Spectroscopic and Direct Analysis in Real Time Mass Spectrometric Identification of Haem.\n \n \n \n \n\n\n \n Fraser, D.; Selvius DeRoo, C.; Cody, R. B; and Armitage, R. A.\n\n\n \n\n\n\n Analyst. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fraser_characterization_2013,\n\ttitle = {Characterization of {Blood} in an {Encrustation} on an {African} {Mask}: {Spectroscopic} and {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometric} {Identification} of {Haem}},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00633F},\n\tdoi = {10.1039/C3AN00633F},\n\tabstract = {Prior to exhibiting an African Komo mask from the collections of the Detroit Institute of Arts, a multianalytical approach was undertaken to characterize the flaking encrusted coating on the surface of the mask. Preliminary XRF and FTIR examination of the coating on the Komo mask revealed the presence of significant quantities of iron and protein, possibly indicating the presence of blood. Raman spectroscopy showed evidence for the porphyrin structure of haem as well. To confirm that blood was indeed present in the coating, we developed a novel method for identifying the haem moiety from blood by use of in-situ methylation and direct analysis in real time mass spectrometry (DART-MS). Following a denaturing step with formic acid, the resulting solution was combined with an excess of phenyltrimethylammonium hydroxide to promote desorption, applied to a melting point tube, and placed into the Direct Analysis in Real Time ion source gas stream at 550 [degree]C. The permethylated haem ion (m/z 644.208) from myoglobin, haemoglobin, fresh blood, and blood aged in the laboratory for 10 years was readily observed above the background. By the described DART-TOF-MS method, permethylated haem was positively identified in the mask coating, confirming the presence of blood. This method has obvious utility in forensic science beyond that for identifying blood incorporated in cultural heritage materials.},\n\tjournal = {Analyst},\n\tauthor = {Fraser, Daniel and Selvius DeRoo, Cathy and Cody, Robert B and Armitage, Ruth Ann},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Prior to exhibiting an African Komo mask from the collections of the Detroit Institute of Arts, a multianalytical approach was undertaken to characterize the flaking encrusted coating on the surface of the mask. Preliminary XRF and FTIR examination of the coating on the Komo mask revealed the presence of significant quantities of iron and protein, possibly indicating the presence of blood. Raman spectroscopy showed evidence for the porphyrin structure of haem as well. To confirm that blood was indeed present in the coating, we developed a novel method for identifying the haem moiety from blood by use of in-situ methylation and direct analysis in real time mass spectrometry (DART-MS). Following a denaturing step with formic acid, the resulting solution was combined with an excess of phenyltrimethylammonium hydroxide to promote desorption, applied to a melting point tube, and placed into the Direct Analysis in Real Time ion source gas stream at 550 [degree]C. The permethylated haem ion (m/z 644.208) from myoglobin, haemoglobin, fresh blood, and blood aged in the laboratory for 10 years was readily observed above the background. By the described DART-TOF-MS method, permethylated haem was positively identified in the mask coating, confirming the presence of blood. This method has obvious utility in forensic science beyond that for identifying blood incorporated in cultural heritage materials.\n
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\n \n\n \n \n \n \n \n \n Characterizations of the Extracts from Geting Bituminous Coal by Spectrometries.\n \n \n \n \n\n\n \n Shi, D.; Wei, X.; Fan, X.; Zong, Z.; Chen, B.; Zhao, Y.; Wang, Y.; and Cao, J.\n\n\n \n\n\n\n Energy & Fuels. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{shi_characterizations_2013,\n\ttitle = {Characterizations of the {Extracts} from {Geting} {Bituminous} {Coal} by {Spectrometries}},\n\tissn = {0887-0624},\n\turl = {http://dx.doi.org/10.1021/ef4004686},\n\tdoi = {10.1021/ef4004686},\n\tabstract = {Geting bituminous coal (GBC) was sequentially extracted with petroleum ether, carbon disulfide (CDS), methanol, acetone, and isometric CDS/acetone mixed solvent at room temperature to afford extracts 1-5 (E1-E5) and residue, respectively. Detailed characterizations of the extracts were performed with a gas chromatography/mass spectrometer (GC/MS), Fourier transform infrared (FTIR) spectrometer, and direct analysis in real time ionization source (DARTIS) coupled to an ion trap mass spectrometer (ITMS). GBC and its residue were also analyzed with the FTIR spectrometer. Particle sizes of the residue were significantly reduced compared with those of GBC according to the observation with scanning electron microscope. Arenes with 1-4 rings and more condensed arenes were enriched into E1 and E2, respectively, while more heteroatom-containing organic species were detected in other extracts, especially in E3 and E4 according to GC/MS analysis. The extracts, especially E1-E4, contain more aliphatic moieties and less aromatic moieties compared to GBC and its residue based on FTIR analysis. DARTIS/ITMS proved to be a powerful tool for analyzing thermally labile and/or involatile species, which are difficult to be identified with GC/MS, in the extracts. The GC-MS gave identification of relative small molecules demonstrating the enrichment of alkanes and 1-3 rings aromatics in E1, 4-6 rings aromatics in E2, organooxygen compounds in E3, phthalates and alkoxycarbonyl benzoic acids in E4. FT-IR analysis showed the functional groups in all extracts were mostly consistent with the GC-MS analysis. It supplied characterization and distribution of large molecules, which was beyond the detection range of GC-MS. DART-MS and corresponding tandem mass spectrometry program (DART-MS-MS) afforded the structural information about a wide variety of homologues (with the same core but different number of CH2) in extracts, which matched well with FT-IR result. Furthermore, the DART-MS-MS also elucidated the identification of alkoxycarbonyl benzoic acids series and et al, which was in good agreement with GC-MS result. These work confirmed that the DART-MS, as a novel and cutting-edge technology, is a desirable and reliable technology in coal chemistry. In this paper, combined with sophisticate GC-MS and FT-IR, DART-MS offered us detailed characteristics of GBC extract on molecule-level.},\n\turldate = {2013-06-25},\n\tjournal = {Energy \\& Fuels},\n\tauthor = {Shi, Da-Ling and Wei, Xian-Yong and Fan, Xing and Zong, Zhi-Min and Chen, Bo and Zhao, Yun-Peng and Wang, Yu-Gao and Cao, Jing-Pei},\n\tmonth = jun,\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Geting bituminous coal (GBC) was sequentially extracted with petroleum ether, carbon disulfide (CDS), methanol, acetone, and isometric CDS/acetone mixed solvent at room temperature to afford extracts 1-5 (E1-E5) and residue, respectively. Detailed characterizations of the extracts were performed with a gas chromatography/mass spectrometer (GC/MS), Fourier transform infrared (FTIR) spectrometer, and direct analysis in real time ionization source (DARTIS) coupled to an ion trap mass spectrometer (ITMS). GBC and its residue were also analyzed with the FTIR spectrometer. Particle sizes of the residue were significantly reduced compared with those of GBC according to the observation with scanning electron microscope. Arenes with 1-4 rings and more condensed arenes were enriched into E1 and E2, respectively, while more heteroatom-containing organic species were detected in other extracts, especially in E3 and E4 according to GC/MS analysis. The extracts, especially E1-E4, contain more aliphatic moieties and less aromatic moieties compared to GBC and its residue based on FTIR analysis. DARTIS/ITMS proved to be a powerful tool for analyzing thermally labile and/or involatile species, which are difficult to be identified with GC/MS, in the extracts. The GC-MS gave identification of relative small molecules demonstrating the enrichment of alkanes and 1-3 rings aromatics in E1, 4-6 rings aromatics in E2, organooxygen compounds in E3, phthalates and alkoxycarbonyl benzoic acids in E4. FT-IR analysis showed the functional groups in all extracts were mostly consistent with the GC-MS analysis. It supplied characterization and distribution of large molecules, which was beyond the detection range of GC-MS. DART-MS and corresponding tandem mass spectrometry program (DART-MS-MS) afforded the structural information about a wide variety of homologues (with the same core but different number of CH2) in extracts, which matched well with FT-IR result. Furthermore, the DART-MS-MS also elucidated the identification of alkoxycarbonyl benzoic acids series and et al, which was in good agreement with GC-MS result. These work confirmed that the DART-MS, as a novel and cutting-edge technology, is a desirable and reliable technology in coal chemistry. In this paper, combined with sophisticate GC-MS and FT-IR, DART-MS offered us detailed characteristics of GBC extract on molecule-level.\n
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\n \n\n \n \n \n \n \n \n Transmission mode direct analysis in real time mass spectrometry for fast untargeted metabolic fingerprinting.\n \n \n \n \n\n\n \n Jones, C. M.; and Fernández, F. M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(12): 1311–1318. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"TransmissionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jones_transmission_2013,\n\ttitle = {Transmission mode direct analysis in real time mass spectrometry for fast untargeted metabolic fingerprinting},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6566},\n\tdoi = {10.1002/rcm.6566},\n\tabstract = {RATIONALE \n \nUntargeted metabolic fingerprinting is a discovery tool to better understand biochemical processes involved in detecting and characterizing disease states and responses to environmental stressors. Although current mass spectrometric (MS) methods are very powerful, there is a clear need for more rapid, high-throughput MS approaches for metabolomics studies. \n \nMETHODS \n \nA rapid metabolic fingerprinting method for human blood sera that utilizes a new transmission mode direct analysis in real time (TM-DART) sampling technique coupled with quadrupole time of flight mass spectrometry (QTOFMS) is presented. In this approach, the sample is deposited directly on a stainless steel mesh that is held in the ionization region by a custom-built module. As a result, the DART plasma gas stream interacts with the sample in a flow-through fashion, which maximizes the interaction between the sample and ionizing species and minimizes variance in sample positioning. \n \nRESULTS \n \nThe optimization of TM-DART parameters directly affecting metabolite desorption and ionization, such as sample position and ionizing gas desorption temperature, was critical in achieving high sensitivity and detecting a broad mass range of metabolites. Ramping the ionizing gas desorption temperature further enhanced analysis by adding a simple separation dimension to this ambient approach. In terms of reproducibility, TM-DART compared favorably with traditional probe mode (PM-) DART analysis, with coefficients of variation as low as 16\\%. The longer-lasting TM-DART signals enabled the acquisition of metabolite full scan and product ion accurate mass spectra in a single experiment, resulting in greater confidence in metabolite identification. \n \nCONCLUSIONS \n \nTM-DART MS proved to be a powerful analytical technique for rapid metabolome analysis of human blood sera. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {12},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Jones, Christina M. and Fernández, Facundo M.},\n\tmonth = jun,\n\tyear = {2013},\n\tpages = {1311--1318},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Untargeted metabolic fingerprinting is a discovery tool to better understand biochemical processes involved in detecting and characterizing disease states and responses to environmental stressors. Although current mass spectrometric (MS) methods are very powerful, there is a clear need for more rapid, high-throughput MS approaches for metabolomics studies. METHODS A rapid metabolic fingerprinting method for human blood sera that utilizes a new transmission mode direct analysis in real time (TM-DART) sampling technique coupled with quadrupole time of flight mass spectrometry (QTOFMS) is presented. In this approach, the sample is deposited directly on a stainless steel mesh that is held in the ionization region by a custom-built module. As a result, the DART plasma gas stream interacts with the sample in a flow-through fashion, which maximizes the interaction between the sample and ionizing species and minimizes variance in sample positioning. RESULTS The optimization of TM-DART parameters directly affecting metabolite desorption and ionization, such as sample position and ionizing gas desorption temperature, was critical in achieving high sensitivity and detecting a broad mass range of metabolites. Ramping the ionizing gas desorption temperature further enhanced analysis by adding a simple separation dimension to this ambient approach. In terms of reproducibility, TM-DART compared favorably with traditional probe mode (PM-) DART analysis, with coefficients of variation as low as 16%. The longer-lasting TM-DART signals enabled the acquisition of metabolite full scan and product ion accurate mass spectra in a single experiment, resulting in greater confidence in metabolite identification. CONCLUSIONS TM-DART MS proved to be a powerful analytical technique for rapid metabolome analysis of human blood sera. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Real time in situ chemical characterization of sub-micron organic aerosols using Direct Analysis in Real Time mass spectrometry (DART-MS): the effect of aerosol size and volatility.\n \n \n \n \n\n\n \n Chan, M. N.; Nah, T.; and Wilson, K. R.\n\n\n \n\n\n\n Analyst. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RealPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chan_real_2013,\n\ttitle = {Real time in situ chemical characterization of sub-micron organic aerosols using {Direct} {Analysis} in {Real} {Time} mass spectrometry ({DART}-{MS}): the effect of aerosol size and volatility},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00168G},\n\tdoi = {10.1039/C3AN00168G},\n\tabstract = {Direct Analysis in Real Time (DART) mass spectrometry is an atmospheric pressure ionization technique suitable for in situ chemical analysis of organic aerosols. Here, mass spectra are obtained by introducing a stream of nanometer-sized aerosols into the ionization region, which is an open space between the ion source and the atmospheric inlet of mass spectrometer. Model single component aerosols are used to show how the aerosol size and volatility influence the measured ion signals at different DART gas temperatures. The results show that for equivalent aerosol mass concentrations, the ion signal scales with particle surface area, with smaller diameter oleic acid aerosols yielding higher ion signals relative to larger diameter aerosols. For the aerosols of the same size, but different vapor pressures, the ion signal is larger for more volatile succinic acid aerosols than less volatile adipic and suberic acid particles. From the measured changes in aerosol size, produced by the DART source, the radial probing depth for these model aerosols range from 1 to 10 nm, the magnitude of which depends upon the physiochemical properties of the aerosols and DART gas temperature. An aerosol evaporation model reveals that the ion signal is correlated with changes in aerosol size and depends upon the total quantity of evaporated aerosol mass, consistent with a mechanism in which gas-phase molecules are first desorbed from the aerosol surface prior to ionization. The results of this work serve as a basis for future investigations of the mass spectra, ionization pathways, and probing depth of the aerosols using DART.},\n\tjournal = {Analyst},\n\tauthor = {Chan, Man Nin and Nah, Theodora and Wilson, Kevin R.},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART) mass spectrometry is an atmospheric pressure ionization technique suitable for in situ chemical analysis of organic aerosols. Here, mass spectra are obtained by introducing a stream of nanometer-sized aerosols into the ionization region, which is an open space between the ion source and the atmospheric inlet of mass spectrometer. Model single component aerosols are used to show how the aerosol size and volatility influence the measured ion signals at different DART gas temperatures. The results show that for equivalent aerosol mass concentrations, the ion signal scales with particle surface area, with smaller diameter oleic acid aerosols yielding higher ion signals relative to larger diameter aerosols. For the aerosols of the same size, but different vapor pressures, the ion signal is larger for more volatile succinic acid aerosols than less volatile adipic and suberic acid particles. From the measured changes in aerosol size, produced by the DART source, the radial probing depth for these model aerosols range from 1 to 10 nm, the magnitude of which depends upon the physiochemical properties of the aerosols and DART gas temperature. An aerosol evaporation model reveals that the ion signal is correlated with changes in aerosol size and depends upon the total quantity of evaporated aerosol mass, consistent with a mechanism in which gas-phase molecules are first desorbed from the aerosol surface prior to ionization. The results of this work serve as a basis for future investigations of the mass spectra, ionization pathways, and probing depth of the aerosols using DART.\n
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\n \n\n \n \n \n \n \n \n Detection of Caffeine in Tea, Instant Coffee, Green Tea Beverage, and Soft Drink by Direct Analysis in Real Time (DART) Source Coupled to Single-Quadrupole Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, L.; Zhao, P.; Zhang, F.; Bai, A.; and Pan, C.\n\n\n \n\n\n\n Journal of AOAC International, 96(2): 353–356. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_detection_2013,\n\ttitle = {Detection of {Caffeine} in {Tea}, {Instant} {Coffee}, {Green} {Tea} {Beverage}, and {Soft} {Drink} by {Direct} {Analysis} in {Real} {Time} ({DART}) {Source} {Coupled} to {Single}-{Quadrupole} {Mass} {Spectrometry}},\n\tvolume = {96},\n\turl = {http://www.ingentaconnect.com/content/aoac/jaoac/2013/00000096/00000002/art00021},\n\tdoi = {10.5740/jaoacint.12-160},\n\tabstract = {Ambient ionization direct analysis in real time (DART) coupled to single-quadrupole MS (DART-MS) was evaluated for rapid detection of caffeine in commercial samples without chromatographic separation or sample preparation. Four commercial samples were examined: tea, instant coffee, green tea beverage, and soft drink. The response-related parameters were optimized for the DART temperature and MS fragmentor. Under optimal conditions, the molecular ion (M+H)+ was the major ion for identification of caffeine. The results showed that DART-MS is a promising tool for the quick analysis of important marker molecules in commercial samples. Furthermore, this system has demonstrated significant potential for high sample throughput and real-time analysis.},\n\tnumber = {2},\n\tjournal = {Journal of AOAC International},\n\tauthor = {Wang, Lei and Zhao, Pengyue and Zhang, Fengzu and Bai, Aijuan and Pan, Canping},\n\tyear = {2013},\n\tpages = {353--356},\n}\n\n\n\n
\n
\n\n\n
\n Ambient ionization direct analysis in real time (DART) coupled to single-quadrupole MS (DART-MS) was evaluated for rapid detection of caffeine in commercial samples without chromatographic separation or sample preparation. Four commercial samples were examined: tea, instant coffee, green tea beverage, and soft drink. The response-related parameters were optimized for the DART temperature and MS fragmentor. Under optimal conditions, the molecular ion (M+H)+ was the major ion for identification of caffeine. The results showed that DART-MS is a promising tool for the quick analysis of important marker molecules in commercial samples. Furthermore, this system has demonstrated significant potential for high sample throughput and real-time analysis.\n
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\n \n\n \n \n \n \n \n \n Polydimethylsiloxane-based wide-range mass calibration for direct analysis in real-time mass spectrometry.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. August 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Polydimethylsiloxane-basedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{gross_polydimethylsiloxane-based_2013,\n\ttitle = {Polydimethylsiloxane-based wide-range mass calibration for direct analysis in real-time mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-7287-1},\n\tdoi = {10.1007/s00216-013-7287-1},\n\tabstract = {Direct analysis in real-time mass spectrometry (DART-MS) is normally applied for small-molecule analysis up to about m/z 1,000. Here, for the analysis of polydimethylsiloxanes, high-mass capabilities expanding beyond m/z 3,000 are demonstrated. In addition, polydimethylsiloxanes provide an ideal mass calibration standard for positive-ion DART-MS. A mass reference list has been compiled to cover ions from m/z 200 up to m/z 2,600. Species with more than 20 silicon atoms exhibit increasingly broader isotopic patterns with decreasing abundances of the monoisotopic ions. The use of the first isotopic peaks for analyte ions above m/z 2,000 serves as a work-around and ensures easy and reproducible recognition of the reference peaks by the instrument data system. Here, the positive-ion DART mass spectra of polydimethylsiloxanes and the corresponding experimental procedures are described, and the mass reference list is provided.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = aug,\n\tyear = {2013},\n\tkeywords = {Accurate mass, Direct analysis in real time (DART), Mass calibration, Polymer analysis, Polysiloxanes, mass spectrometry},\n\tpages = {1--6},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real-time mass spectrometry (DART-MS) is normally applied for small-molecule analysis up to about m/z 1,000. Here, for the analysis of polydimethylsiloxanes, high-mass capabilities expanding beyond m/z 3,000 are demonstrated. In addition, polydimethylsiloxanes provide an ideal mass calibration standard for positive-ion DART-MS. A mass reference list has been compiled to cover ions from m/z 200 up to m/z 2,600. Species with more than 20 silicon atoms exhibit increasingly broader isotopic patterns with decreasing abundances of the monoisotopic ions. The use of the first isotopic peaks for analyte ions above m/z 2,000 serves as a work-around and ensures easy and reproducible recognition of the reference peaks by the instrument data system. Here, the positive-ion DART mass spectra of polydimethylsiloxanes and the corresponding experimental procedures are described, and the mass reference list is provided.\n
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\n \n\n \n \n \n \n \n \n Trace analysis of energetic materials via direct analyte-probed nanoextraction coupled to direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Clemons, K.; Dake, J.; Sisco, E.; and Verbeck IV, G. F.\n\n\n \n\n\n\n Forensic Science International, 231(1–3): 98–101. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"TracePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{clemons_trace_2013,\n\ttitle = {Trace analysis of energetic materials via direct analyte-probed nanoextraction coupled to direct analysis in real time mass spectrometry},\n\tvolume = {231},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813002454},\n\tdoi = {10.1016/j.forsciint.2013.04.022},\n\tabstract = {Abstract \nDirect analysis in real time mass spectrometry (DART-MS) has proven to be a useful forensic tool for the trace analysis of energetic materials. While other techniques for detecting trace amounts of explosives involve extraction, derivatization, solvent exchange, or sample clean-up, DART-MS requires none of these. Typical DART-MS analyses directly from a solid sample or from a swab have been quite successful; however, these methods may not always be an optimal sampling technique in a forensic setting. For example, if the sample were only located in an area which included a latent fingerprint of interest, direct DART-MS analysis or the use of a swab would almost certainly destroy the print. To avoid ruining such potentially invaluable evidence, another method has been developed which will leave the fingerprint virtually untouched. Direct analyte-probed nanoextraction coupled to nanospray ionization-mass spectrometry (DAPNe–NSI-MS) has demonstrated excellent sensitivity and repeatability in forensic analyses of trace amounts of illicit drugs from various types of surfaces. This technique employs a nanomanipulator in conjunction with bright-field microscopy to extract single particles from a surface of interest and has provided a limit of detection of 300 attograms for caffeine. Combining DAPNe with DART-MS provides another level of flexibility in forensic analysis, and has proven to be a sufficient detection method for trinitrotoluene (TNT), RDX, and 1-methylaminoanthraquinone (MAAQ).},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Clemons, Kristina and Dake, Jeffrey and Sisco, Edward and Verbeck IV, Guido F.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Direct analyte-probed nanoextraction, Explosives, Latent fingerprint, forensic science, mass spectrometry},\n\tpages = {98--101},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Direct analysis in real time mass spectrometry (DART-MS) has proven to be a useful forensic tool for the trace analysis of energetic materials. While other techniques for detecting trace amounts of explosives involve extraction, derivatization, solvent exchange, or sample clean-up, DART-MS requires none of these. Typical DART-MS analyses directly from a solid sample or from a swab have been quite successful; however, these methods may not always be an optimal sampling technique in a forensic setting. For example, if the sample were only located in an area which included a latent fingerprint of interest, direct DART-MS analysis or the use of a swab would almost certainly destroy the print. To avoid ruining such potentially invaluable evidence, another method has been developed which will leave the fingerprint virtually untouched. Direct analyte-probed nanoextraction coupled to nanospray ionization-mass spectrometry (DAPNe–NSI-MS) has demonstrated excellent sensitivity and repeatability in forensic analyses of trace amounts of illicit drugs from various types of surfaces. This technique employs a nanomanipulator in conjunction with bright-field microscopy to extract single particles from a surface of interest and has provided a limit of detection of 300 attograms for caffeine. Combining DAPNe with DART-MS provides another level of flexibility in forensic analysis, and has proven to be a sufficient detection method for trinitrotoluene (TNT), RDX, and 1-methylaminoanthraquinone (MAAQ).\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) of \"Bath Salt\" Cathinone Drug Mixtures.\n \n \n \n \n\n\n \n Lesiak, A.; Musah, R.; Cody, R. B; Domin, M. A.; Dane, J.; and Shepard, J. R. E.\n\n\n \n\n\n\n Analyst. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) of "{Bath} {Salt}" {Cathinone} {Drug} {Mixtures}},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00360D},\n\tdoi = {10.1039/C3AN00360D},\n\tabstract = {Rapid and versatile direct analysis in real time mass spectrometry (DART-MS) methods were developed for detection and characterization of synthetic cathinone designer drugs, also known as "bath salts". The speed and efficiency associated with DART-MS testing of such highly unpredictable samples demonstrate the technique as an attractive alternative to conventional GC-MS and LC-MS methods. A series of isobaric and closely related synthetic cathinones, alone and in mixtures, were differentiated using high mass accuracy and in-source collision induced dissociation (CID). Crime laboratories have observed a dramatic rise in the use of these substances, which has caused sample testing backlogs, particularly since the myriad of closely structurally related compounds are challenging to efficiently differentiate. This challenge is compounded by the perpetual emergence of new structural variants as soon as older generation derivatives become scheduled. Because of the numerous chemical substances that fall into these categories, along with the varying composition and complexity of mixtures of these drugs, DART-MS CID has the potential to dramatically streamline sample analysis, minimize the number of sample preparation steps, and enable rapid characterization of emerging structural analogs.},\n\tjournal = {Analyst},\n\tauthor = {Lesiak, Ashton and Musah, Rabi and Cody, Robert B and Domin, Marek Adam and Dane, John and Shepard, Jason R. E.},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Rapid and versatile direct analysis in real time mass spectrometry (DART-MS) methods were developed for detection and characterization of synthetic cathinone designer drugs, also known as \"bath salts\". The speed and efficiency associated with DART-MS testing of such highly unpredictable samples demonstrate the technique as an attractive alternative to conventional GC-MS and LC-MS methods. A series of isobaric and closely related synthetic cathinones, alone and in mixtures, were differentiated using high mass accuracy and in-source collision induced dissociation (CID). Crime laboratories have observed a dramatic rise in the use of these substances, which has caused sample testing backlogs, particularly since the myriad of closely structurally related compounds are challenging to efficiently differentiate. This challenge is compounded by the perpetual emergence of new structural variants as soon as older generation derivatives become scheduled. Because of the numerous chemical substances that fall into these categories, along with the varying composition and complexity of mixtures of these drugs, DART-MS CID has the potential to dramatically streamline sample analysis, minimize the number of sample preparation steps, and enable rapid characterization of emerging structural analogs.\n
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\n \n\n \n \n \n \n \n \n Authentication of milk and milk-based foods by direct analysis in real time ionization–high resolution mass spectrometry (DART–HRMS) technique: a critical assessment.\n \n \n \n \n\n\n \n Hrbek, V.; Vaclavik, L.; Elich, O.; and Hajslova, J.\n\n\n \n\n\n\n Food Control, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AuthenticationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{hrbek_authentication_2013,\n\ttitle = {Authentication of milk and milk-based foods by direct analysis in real time ionization–high resolution mass spectrometry ({DART}–{HRMS}) technique: a critical assessment},\n\tissn = {0956-7135},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0956713513003952},\n\tdoi = {10.1016/j.foodcont.2013.08.003},\n\tabstract = {Abstract\nThe potential of direct analysis in real time (DART) ambient ionization technique coupled with high resolution mass spectrometry (HRMS) in authentication of milk and dairy products was critically assessed. In particular case, DART–HRMS was used for several scenarios: (i) discrimination among milks obtained from various farm animal species (cow, goat, and sheep), (ii) discrimination between cows´ milk produced in conventional and organic farming, and, (iii) detection of vegetable oil added to a milk-based product (soft cheese). For this purpose, a rapid profiling procedure based on examination of milk/cheese toluene extracts, was implemented. The obtained triacylglycerol (TAG) profiles (mass spectra) were processed with principal component analysis (PCA) and linear discriminant analysis (LDA). Based on LDA model, reliable differentiation of cows´ milk samples and goats’/sheep’s milk was possible. The DART–HRMS procedure also allowed distinguishing milk mixtures prepared at adulteration level of 50\\% (v/v). The capability to recognize milk from conventional and organic farming was rather low, poor classification rates of the LDA model were obtained. On the other hand, reliable detection of the presence of vegetable oils (rapeseed, sunflower, and soybean), added to soft cheese at amount as low as 1\\% (w/w), was possible. Additionally, the quality of added oil in terms of degree of its oxidation could be documented.},\n\tnumber = {0},\n\tjournal = {Food Control},\n\tauthor = {Hrbek, Vojtech and Vaclavik, Lukas and Elich, Ondrej and Hajslova, Jana},\n\tyear = {2013},\n\tkeywords = {Authenticity, Dairy products, Direct analysis in real time, Milk, mass spectrometry},\n}\n\n\n\n
\n
\n\n\n
\n Abstract The potential of direct analysis in real time (DART) ambient ionization technique coupled with high resolution mass spectrometry (HRMS) in authentication of milk and dairy products was critically assessed. In particular case, DART–HRMS was used for several scenarios: (i) discrimination among milks obtained from various farm animal species (cow, goat, and sheep), (ii) discrimination between cows´ milk produced in conventional and organic farming, and, (iii) detection of vegetable oil added to a milk-based product (soft cheese). For this purpose, a rapid profiling procedure based on examination of milk/cheese toluene extracts, was implemented. The obtained triacylglycerol (TAG) profiles (mass spectra) were processed with principal component analysis (PCA) and linear discriminant analysis (LDA). Based on LDA model, reliable differentiation of cows´ milk samples and goats’/sheep’s milk was possible. The DART–HRMS procedure also allowed distinguishing milk mixtures prepared at adulteration level of 50% (v/v). The capability to recognize milk from conventional and organic farming was rather low, poor classification rates of the LDA model were obtained. On the other hand, reliable detection of the presence of vegetable oils (rapeseed, sunflower, and soybean), added to soft cheese at amount as low as 1% (w/w), was possible. Additionally, the quality of added oil in terms of degree of its oxidation could be documented.\n
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\n \n\n \n \n \n \n \n \n Monitoring tea fermentation/manufacturing by Direct Analysis in Real Time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Fraser, K.; Lane, G. A.; Otter, D. E.; Harrison, S. J.; Quek, S.; Hemar, Y.; and Rasmussen, S.\n\n\n \n\n\n\n Food Chemistry, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MonitoringPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{fraser_monitoring_2013,\n\ttitle = {Monitoring tea fermentation/manufacturing by {Direct} {Analysis} in {Real} {Time} ({DART}) mass spectrometry},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814613006390},\n\tdoi = {10.1016/j.foodchem.2013.05.054},\n\tabstract = {Abstract \nFactors such as fermentation methods, geographical origin and season can affect the biochemical composition of tea leaves (Camellia sinensis L.). In this study, the biochemical composition of oolong tea during the manufacturing and fermentation process was studied using a non-targeted method utilising ambient ionisation with a direct analysis in real time (DART) ion source and mass spectrometry (MS). Caffeine dominated the positive ionisation spectra throughout the manufacturing process, while the negative ion spectra collected during manufacturing were rich in ions likely to be surface lipids. Correlation analyses on the spectra revealed two volatile compounds tentatively identified as indole and geranic acid, along with ammonium and caffeine clusters/adducts with geranic acid that increased in concentration during the fermentation stages of the process. The tentative identifications were assigned using a combination of DART-ion-trap MSn and DART-accurate mass MS1 and MS2 on tea samples and standard compounds. This study highlights the potential of DART-MS to rapidly monitor the progress of complex manufacturing processes such as tea fermentation.},\n\tnumber = {0},\n\tjournal = {Food Chemistry},\n\tauthor = {Fraser, Karl and Lane, Geoff A. and Otter, Don E. and Harrison, Scott J. and Quek, Siew-Young and Hemar, Yacine and Rasmussen, Susanne},\n\tyear = {2013},\n\tkeywords = {Caffeine, DARTMass spectrometry, Direct analysis in real time, Fermentation, Geranic acid, Profiling, Tea, Tea manufacturing},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Factors such as fermentation methods, geographical origin and season can affect the biochemical composition of tea leaves (Camellia sinensis L.). In this study, the biochemical composition of oolong tea during the manufacturing and fermentation process was studied using a non-targeted method utilising ambient ionisation with a direct analysis in real time (DART) ion source and mass spectrometry (MS). Caffeine dominated the positive ionisation spectra throughout the manufacturing process, while the negative ion spectra collected during manufacturing were rich in ions likely to be surface lipids. Correlation analyses on the spectra revealed two volatile compounds tentatively identified as indole and geranic acid, along with ammonium and caffeine clusters/adducts with geranic acid that increased in concentration during the fermentation stages of the process. The tentative identifications were assigned using a combination of DART-ion-trap MSn and DART-accurate mass MS1 and MS2 on tea samples and standard compounds. This study highlights the potential of DART-MS to rapidly monitor the progress of complex manufacturing processes such as tea fermentation.\n
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\n \n\n \n \n \n \n \n \n Screening for trace explosives by AccuTOF™-DART®: An in-depth validation study.\n \n \n \n \n\n\n \n Sisco, E.; Dake, J.; and Bridge, C.\n\n\n \n\n\n\n Forensic Science International, 232(1–3): 160–168. October 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ScreeningPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{sisco_screening_2013,\n\ttitle = {Screening for trace explosives by {AccuTOF}™-{DART}®: {An} in-depth validation study},\n\tvolume = {232},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813003551},\n\tdoi = {10.1016/j.forsciint.2013.07.006},\n\tabstract = {Abstract\nAmbient ionization mass spectrometry is finding increasing utility as a rapid analysis technique in a number of fields. In forensic science specifically, analysis of many types of samples, including drugs, explosives, inks, bank dye, and lotions, has been shown to be possible using these techniques [1]. This paper focuses on one type of ambient ionization mass spectrometry, Direct Analysis in Real Time Mass Spectrometry (DART-MS or DART), and its viability as a screening tool for trace explosives analysis. In order to assess viability, a validation study was completed which focused on the analysis of trace amounts of nitro and peroxide based explosives. Topics which were studied, and are discussed, include method optimization, reproducibility, sensitivity, development of a search library, discrimination of mixtures, and blind sampling. Advantages and disadvantages of this technique over other similar screening techniques are also discussed.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Sisco, Edward and Dake, Jeffrey and Bridge, Candice},\n\tmonth = oct,\n\tyear = {2013},\n\tkeywords = {Ambient ionization mass spectrometry, Gas chromatography mass spectrometry, Trace detection},\n\tpages = {160--168},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Ambient ionization mass spectrometry is finding increasing utility as a rapid analysis technique in a number of fields. In forensic science specifically, analysis of many types of samples, including drugs, explosives, inks, bank dye, and lotions, has been shown to be possible using these techniques [1]. This paper focuses on one type of ambient ionization mass spectrometry, Direct Analysis in Real Time Mass Spectrometry (DART-MS or DART), and its viability as a screening tool for trace explosives analysis. In order to assess viability, a validation study was completed which focused on the analysis of trace amounts of nitro and peroxide based explosives. Topics which were studied, and are discussed, include method optimization, reproducibility, sensitivity, development of a search library, discrimination of mixtures, and blind sampling. Advantages and disadvantages of this technique over other similar screening techniques are also discussed.\n
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\n \n\n \n \n \n \n \n \n Non-visible print set-off of photoinitiators in food packaging: detection by ambient ionization mass spectrometry.\n \n \n \n \n\n\n \n Bentayeb, K.; Ackerman, L.; Lord, T.; and Begley, T.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A,null–null. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Non-visiblePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bentayeb_non-visible_2013,\n\ttitle = {Non-visible print set-off of photoinitiators in food packaging: detection by ambient ionization mass spectrometry},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2012.762694},\n\tdoi = {10.1080/19440049.2012.762694},\n\tabstract = {Abstract Direct Analysis in Real Time coupled to Time of Flight Mass Spectrometry (DART/TOF-MS) was used to detect the non-visible set-off of photoinitiators on the food contact surface of three different packages. The samples were intentionally under-cured to provoke set-off. Twelve commercially available photoinitiators were included in the ink formulations including α?amino-, morpholino, and α?hydroxy benzophenones, thioxanthones, aryl-phosphine oxide and three polymeric versions of these. Major colors of the packages' prints were analyzed, as well as the specific areas of the inner surface in contact with them. Larger quantities of photoinitiators were detected on the food contact areas in contact with the darker colors of the images. Speed-cure 7005 and 4-phenylbenzophenone were the compounds most susceptible to set-off in each of the samples by DART response. An identification protocol for unknown set-off compounds was tested resulting in the set-off detection of diethylene glycol ethers, erucamide and acrylates, and confirmed by solvent extraction GC-MS analysis. Finally, DART/TOF-MS was scanned across transects of the food contact side of packages to map the presence of photoinitiators. Higher photoinitiator signals were observed in patterns corresponding to the printed image, suggesting DART/TOF-MS might ?image? print set-off.},\n\turldate = {2013-01-14},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Bentayeb, K. and Ackerman, L.K. and Lord, T. and Begley, T.H.},\n\tmonth = jan,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Direct Analysis in Real Time coupled to Time of Flight Mass Spectrometry (DART/TOF-MS) was used to detect the non-visible set-off of photoinitiators on the food contact surface of three different packages. The samples were intentionally under-cured to provoke set-off. Twelve commercially available photoinitiators were included in the ink formulations including α?amino-, morpholino, and α?hydroxy benzophenones, thioxanthones, aryl-phosphine oxide and three polymeric versions of these. Major colors of the packages' prints were analyzed, as well as the specific areas of the inner surface in contact with them. Larger quantities of photoinitiators were detected on the food contact areas in contact with the darker colors of the images. Speed-cure 7005 and 4-phenylbenzophenone were the compounds most susceptible to set-off in each of the samples by DART response. An identification protocol for unknown set-off compounds was tested resulting in the set-off detection of diethylene glycol ethers, erucamide and acrylates, and confirmed by solvent extraction GC-MS analysis. Finally, DART/TOF-MS was scanned across transects of the food contact side of packages to map the presence of photoinitiators. Higher photoinitiator signals were observed in patterns corresponding to the printed image, suggesting DART/TOF-MS might ?image? print set-off.\n
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\n \n\n \n \n \n \n \n \n Rapid determination of 5-hydroxymethylfurfural by DART ionization with time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Rajchl, A.; Drgová, L.; Grégrová, A.; Čížková, H.; Ševčík, R.; and Voldřich, M.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–9. March 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rajchl_rapid_2013,\n\ttitle = {Rapid determination of 5-hydroxymethylfurfural by {DART} ionization with time-of-flight mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6875-4},\n\tdoi = {10.1007/s00216-013-6875-4},\n\tabstract = {DART (direct analysis in real time), a novel technique with wide potential for rapid screening analysis, coupled with high-resolution time-of-flight mass spectrometry (TOF-MS) has been used for quantitative analysis of 5-hydroxymethylfurfural (5-HMF), a typical temperature marker of food. The DART/TOF-MS method was optimised and validated. Quantification of 5-HMF was achieved by use of a stable isotope-labelled 5-HMF standard prepared from glucose. Formation of 5-HMF from saccharides, a potential source of overestimation of results, was evaluated. Forty-four real samples (honey and caramelised condensed sweetened milk) and 50 model samples of heated honey were analysed. The possibility of using DART for analysis of heated samples of honey was confirmed. HPLC and DART/TOF-MS methods for determination of 5-HMF were compared. The correlation equation between these methods was DART = 1.0287HPLC + 0.21340, R 2 = 0.9557. The DART/TOF-MS method has been proved to enable efficient and rapid determination of 5-HMF in a variety of food matrices, for example honey and caramel.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Rajchl, Aleš and Drgová, Ladislava and Grégrová, Adéla and Čížková, Helena and Ševčík, Rudolf and Voldřich, Michal},\n\tmonth = mar,\n\tyear = {2013},\n\tkeywords = {5-HMF, Caramel, DART, HPLC, Honey, TOF-MS},\n\tpages = {1--9},\n}\n\n\n\n
\n
\n\n\n
\n DART (direct analysis in real time), a novel technique with wide potential for rapid screening analysis, coupled with high-resolution time-of-flight mass spectrometry (TOF-MS) has been used for quantitative analysis of 5-hydroxymethylfurfural (5-HMF), a typical temperature marker of food. The DART/TOF-MS method was optimised and validated. Quantification of 5-HMF was achieved by use of a stable isotope-labelled 5-HMF standard prepared from glucose. Formation of 5-HMF from saccharides, a potential source of overestimation of results, was evaluated. Forty-four real samples (honey and caramelised condensed sweetened milk) and 50 model samples of heated honey were analysed. The possibility of using DART for analysis of heated samples of honey was confirmed. HPLC and DART/TOF-MS methods for determination of 5-HMF were compared. The correlation equation between these methods was DART = 1.0287HPLC + 0.21340, R 2 = 0.9557. The DART/TOF-MS method has been proved to enable efficient and rapid determination of 5-HMF in a variety of food matrices, for example honey and caramel.\n
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\n \n\n \n \n \n \n \n \n Direct Peel Monitoring of Xenobiotics in Fruit by Direct Analysis in Real-Time Coupled to a Linear Quadrupole Ion Trap-Orbitrap Mass Spectrometer.\n \n \n \n \n\n\n \n Farré, M.; Pico, Y.; and Barcelo, D.\n\n\n \n\n\n\n Analytical Chemistry. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{farre_direct_2013,\n\ttitle = {Direct {Peel} {Monitoring} of {Xenobiotics} in {Fruit} by {Direct} {Analysis} in {Real}-{Time} {Coupled} to a {Linear} {Quadrupole} {Ion} {Trap}-{Orbitrap} {Mass} {Spectrometer}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3026702},\n\tdoi = {10.1021/ac3026702},\n\tabstract = {Study of xenobiotics present in fruits peel by exposing it (without any pre-treatment) to direct analysis in real time coupled to a high resolution orbitrap mass spectrometer (DART-HRMS) is reported for the first time. Variables as DART gas heater temperature and pressure, source-to-MS distance and sample velocity are investigated. The analysis of one sample by DART-MS lasts ca. 1 min, and the benefits of both high-resolution and tandem mass spectrometry to elucidate non-target or unknown compounds are combined. Identification of post-harvest fungicides, antioxidants and sugars in fruit peel is performed in the positive ion mode. Possible elemental formula is suggested for marker components. The lowest imazalil concentration that could be detected by this system is 1 ng (equivalent to a concentration of ca. 300 µg kg-1), which is well-below the maximum residue limit. For oranges and apples, direct peel exposition demonstrated good interday precision (within 20 \\% for any concentration) and proper linearity (R2≥0.99), with a dynamic range from 1 to 2500 ng for apple. A comparison of the results obtained using the direct peel screening DART-based method is made with those obtained by DART analysis of solvent extracts, as well as those obtained analyzing these extracts by Ultra High Performance Liquid Chromatography Orbitrap Mass Spectrometry (UHPLC-Orbitrap). The results are in good agreement. Thus, the proposed method proves to be quantitatively accurate with indisputable identification specificity. As an independent method, the approach of direct scanning of peel is of high interest and of potential future within food analysis to guarantee safety, quality and authenticity. ?},\n\turldate = {2013-02-05},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Farré, Marinella and Pico, Yolanda and Barcelo, Damia},\n\tmonth = jan,\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Study of xenobiotics present in fruits peel by exposing it (without any pre-treatment) to direct analysis in real time coupled to a high resolution orbitrap mass spectrometer (DART-HRMS) is reported for the first time. Variables as DART gas heater temperature and pressure, source-to-MS distance and sample velocity are investigated. The analysis of one sample by DART-MS lasts ca. 1 min, and the benefits of both high-resolution and tandem mass spectrometry to elucidate non-target or unknown compounds are combined. Identification of post-harvest fungicides, antioxidants and sugars in fruit peel is performed in the positive ion mode. Possible elemental formula is suggested for marker components. The lowest imazalil concentration that could be detected by this system is 1 ng (equivalent to a concentration of ca. 300 µg kg-1), which is well-below the maximum residue limit. For oranges and apples, direct peel exposition demonstrated good interday precision (within 20 % for any concentration) and proper linearity (R2≥0.99), with a dynamic range from 1 to 2500 ng for apple. A comparison of the results obtained using the direct peel screening DART-based method is made with those obtained by DART analysis of solvent extracts, as well as those obtained analyzing these extracts by Ultra High Performance Liquid Chromatography Orbitrap Mass Spectrometry (UHPLC-Orbitrap). The results are in good agreement. Thus, the proposed method proves to be quantitatively accurate with indisputable identification specificity. As an independent method, the approach of direct scanning of peel is of high interest and of potential future within food analysis to guarantee safety, quality and authenticity. ?\n
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\n \n\n \n \n \n \n \n \n Mass spectrometry-based metabolomic fingerprinting for screening cold tolerance in Arabidopsis thaliana accessions.\n \n \n \n \n\n\n \n Vaclavik, L.; Mishra, A.; Mishra, K.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–13. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MassPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{vaclavik_mass_2013,\n\ttitle = {Mass spectrometry-based metabolomic fingerprinting for screening cold tolerance in {Arabidopsis} thaliana accessions},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-6692-1},\n\tdoi = {10.1007/s00216-012-6692-1},\n\tabstract = {The availability of rapid and reliable tools for monitoring of plants’ cold tolerance is a prerequisite for research aimed at breeding of cold-tolerant crop plants. Therefore, we have tested the capacity of metabolomics-based methods employing ultra-high-performance liquid chromatography (UHPLC)–mass spectrometry and direct analysis in real time–mass spectrometry for high-throughput screening of cold tolerance in eight differentially cold-tolerant accessions of Arabidopsis thaliana. Metabolomic fingerprinting of leaf tissues was performed in methanolic extracts for (1) 6-week-old non-acclimated (NAC) plants grown at room temperature, (2) NAC plants cold-acclimated (ACC) at 4 °C for 2 weeks, and (3) cold-acclimated plants given sub-zero-temperature treatments by slow cooling at −4 °C for 8 h. The generated chromatograms and mass spectra were processed with the use of multivariate statistical analysis employing principal component analysis (PCA) and linear discriminant analysis. The PCA of metabolomic fingerprints classified the investigated A. thaliana accessions into three categories with low, intermediate, and high cold tolerance for both the cold-acclimated and the sub-zero-temperature-treated plants. This indicates the potential application of metabolomics-based fingerprinting for measuring cold tolerance in the cold-acclimated state, i.e., without treating plants at freezing temperatures that is required by currently available methods. Furthermore, we employed UHPLC coupled to the quadrupole-time-of-flight mass spectrometry to identify characteristic metabolites in ACC state and found the abundance of gluconapin and flavon-3-ol glycosides, respectively, in the cold-sensitive and the cold-tolerant accessions.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Vaclavik, Lukas and Mishra, Anamika and Mishra, KumudB. and Hajslova, Jana},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {Arabidopsis thaliana, Chemometric analysis, Cold tolerance, DART–MS, LC–MS, Metabolomic fingerprinting},\n\tpages = {1--13},\n}\n\n\n\n
\n
\n\n\n
\n The availability of rapid and reliable tools for monitoring of plants’ cold tolerance is a prerequisite for research aimed at breeding of cold-tolerant crop plants. Therefore, we have tested the capacity of metabolomics-based methods employing ultra-high-performance liquid chromatography (UHPLC)–mass spectrometry and direct analysis in real time–mass spectrometry for high-throughput screening of cold tolerance in eight differentially cold-tolerant accessions of Arabidopsis thaliana. Metabolomic fingerprinting of leaf tissues was performed in methanolic extracts for (1) 6-week-old non-acclimated (NAC) plants grown at room temperature, (2) NAC plants cold-acclimated (ACC) at 4 °C for 2 weeks, and (3) cold-acclimated plants given sub-zero-temperature treatments by slow cooling at −4 °C for 8 h. The generated chromatograms and mass spectra were processed with the use of multivariate statistical analysis employing principal component analysis (PCA) and linear discriminant analysis. The PCA of metabolomic fingerprints classified the investigated A. thaliana accessions into three categories with low, intermediate, and high cold tolerance for both the cold-acclimated and the sub-zero-temperature-treated plants. This indicates the potential application of metabolomics-based fingerprinting for measuring cold tolerance in the cold-acclimated state, i.e., without treating plants at freezing temperatures that is required by currently available methods. Furthermore, we employed UHPLC coupled to the quadrupole-time-of-flight mass spectrometry to identify characteristic metabolites in ACC state and found the abundance of gluconapin and flavon-3-ol glycosides, respectively, in the cold-sensitive and the cold-tolerant accessions.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART®) Ionization as a Tool for Rapid Screening and Characterization of Black Cohosh (Actaea racemosa) by MS Fingerprints.\n \n \n \n\n\n \n Crawford, E; Goguen, R; LaPointe, J; and Musselman, B\n\n\n \n\n\n\n Planta Med, 79(05): P117. 2013.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{crawford_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}®) {Ionization} as a {Tool} for {Rapid} {Screening} and {Characterization} of {Black} {Cohosh} ({Actaea} racemosa) by {MS} {Fingerprints}},\n\tvolume = {79},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0033-1336559},\n\tabstract = {Characterization of herbal dietary supplements has increasingly become a focus for regulatory bodies. In this study we have used a Direct Analysis in Real Time (DART) ambient ionization mass spectrometry method to characterize the major ionizable components in Black Cohosh (Actaea racemosa). Analysis of both the raw natural product and several commercial products labeled as containing Black Cohosh yielded wide variation in the mass spectral composition across the products. In order to permit more uniform sampling we choose to investigate quick extraction protocols with 0.1N acid, 0.1N base, and a published method for Black Cohosh sample prep [1]. The DART-MS experiment involves employing a thermal profile method for each extract using different gas temperatures (150 °C, 250 °C, and 350 °C) for desorption ionization and positive/negative ion mass spectrometric detection. Ferulic acid and caffeic acid desorption were optimized at 250 °C in the negative ion mode. Carbohydrates were detected at 150 °C and 250 °C in the positive ion spectra from the raw plant materials; however, they were not detected in all commercial products. The 250 °C positive and negative ion spectra proved to yield a large number of ions and these spectra were designated as the MS Fingerprint data. These MS Fingerprints were subsequently subjected to analysis using a statistical spectral matching program for automated chemometric analysis of the samples for differentiation.},\n\tlanguage = {EN},\n\tnumber = {05},\n\tjournal = {Planta Med},\n\tauthor = {Crawford, E and Goguen, R and LaPointe, J and Musselman, B},\n\tyear = {2013},\n\tpages = {P117},\n}\n\n\n\n
\n
\n\n\n
\n Characterization of herbal dietary supplements has increasingly become a focus for regulatory bodies. In this study we have used a Direct Analysis in Real Time (DART) ambient ionization mass spectrometry method to characterize the major ionizable components in Black Cohosh (Actaea racemosa). Analysis of both the raw natural product and several commercial products labeled as containing Black Cohosh yielded wide variation in the mass spectral composition across the products. In order to permit more uniform sampling we choose to investigate quick extraction protocols with 0.1N acid, 0.1N base, and a published method for Black Cohosh sample prep [1]. The DART-MS experiment involves employing a thermal profile method for each extract using different gas temperatures (150 °C, 250 °C, and 350 °C) for desorption ionization and positive/negative ion mass spectrometric detection. Ferulic acid and caffeic acid desorption were optimized at 250 °C in the negative ion mode. Carbohydrates were detected at 150 °C and 250 °C in the positive ion spectra from the raw plant materials; however, they were not detected in all commercial products. The 250 °C positive and negative ion spectra proved to yield a large number of ions and these spectra were designated as the MS Fingerprint data. These MS Fingerprints were subsequently subjected to analysis using a statistical spectral matching program for automated chemometric analysis of the samples for differentiation.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time-mass spectrometry (DART-MS) for rapid qualitative screening of toxic glycols in glycerin-containing products.\n \n \n \n \n\n\n \n Self, R. L.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{self_direct_2013,\n\ttitle = {Direct analysis in real time-mass spectrometry ({DART}-{MS}) for rapid qualitative screening of toxic glycols in glycerin-containing products},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708513001052},\n\tdoi = {10.1016/j.jpba.2013.02.037},\n\tabstract = {In 2007, the United States Food and Drug Administration released guidance recommending testing of glycerin used in regulated consumer products, such as cough syrup preparations, toothpaste, and other pharmaceutical and food products, for the toxic compounds ethylene glycol and diethylene glycol. Regulatory laboratories routinely test glycerin, and products containing glycerin or related compounds for these toxic glycols, using an official gas chromatographic method, to ensure the safety of these products. The current work describes a companion technique to compliment this GC-FID method utilizing Orbitrap mass spectrometry with direct analysis in real time ionization to rapidly screen these samples qualitatively, with results in as little as five seconds, with no sample preparation required. This allows the more time and resource intensive method to be reserved for those rare cases when these compounds are detected, potentially greatly improving laboratory efficiency. The technique was evaluated for qualitative sensitivity and repeatability, and compared against the GC-FID method. The method appears to perform well against these metrics.},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Self, Randy L.},\n\tyear = {2013},\n\tkeywords = {Diethylene glycol, Direct analysis in real time, Ethylene glycol, Glycerin, Orbitrap},\n}\n\n\n\n
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\n\n\n
\n In 2007, the United States Food and Drug Administration released guidance recommending testing of glycerin used in regulated consumer products, such as cough syrup preparations, toothpaste, and other pharmaceutical and food products, for the toxic compounds ethylene glycol and diethylene glycol. Regulatory laboratories routinely test glycerin, and products containing glycerin or related compounds for these toxic glycols, using an official gas chromatographic method, to ensure the safety of these products. The current work describes a companion technique to compliment this GC-FID method utilizing Orbitrap mass spectrometry with direct analysis in real time ionization to rapidly screen these samples qualitatively, with results in as little as five seconds, with no sample preparation required. This allows the more time and resource intensive method to be reserved for those rare cases when these compounds are detected, potentially greatly improving laboratory efficiency. The technique was evaluated for qualitative sensitivity and repeatability, and compared against the GC-FID method. The method appears to perform well against these metrics.\n
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\n \n\n \n \n \n \n \n \n Evaluation of direct analysis in real time ionization–mass spectrometry (DART–MS) in fish metabolomics aimed to assess the response to dietary supplementation.\n \n \n \n \n\n\n \n Cajka, T.; Danhelova, H.; Vavrecka, A.; Riddellova, K.; Kocourek, V.; Vacha, F.; and Hajslova, J.\n\n\n \n\n\n\n Talanta, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cajka_evaluation_2013,\n\ttitle = {Evaluation of direct analysis in real time ionization–mass spectrometry ({DART}–{MS}) in fish metabolomics aimed to assess the response to dietary supplementation},\n\tissn = {0039-9140},\n\turl = {http://www.sciencedirect.com/science/article/pii/S003991401300307X},\n\tdoi = {10.1016/j.talanta.2013.04.025},\n\tabstract = {Abstract \nAmbient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium-high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a rapid tool for metabolomic fingerprinting to study the effects of supplemental feeding with cereals (triticale) on the composition of muscle metabolites of common carp (Cyprinus carpio L.). \n \nFirst, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from common carp muscle. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. Next, the metabolomic fingerprints (mass spectra) of a large set of common carp muscle extracts were acquired. Finally, the experimental data were statistically evaluated using principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). \n \nUsing this approach, differentiation of common carp muscle in response to dietary supplementation (feeding with and without cereals) was feasible. Correct classification was obtained based on the assessment of polar and as well as non-polar extracts fingerprints. The current study showed that DART–TOFMS metabolomic fingerprinting represents a rapid and powerful analytical strategy enabling differentiation of common carp muscles according to feeding history by recording metabolomic fingerprints of ionizable components under the conditions of ambient MS.},\n\tnumber = {0},\n\tjournal = {Talanta},\n\tauthor = {Cajka, Tomas and Danhelova, Hana and Vavrecka, Antonin and Riddellova, Katerina and Kocourek, Vladimir and Vacha, Frantisek and Hajslova, Jana},\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time (DART), Feeding, Fish, Metabolomic fingerprinting, mass spectrometry},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium-high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a rapid tool for metabolomic fingerprinting to study the effects of supplemental feeding with cereals (triticale) on the composition of muscle metabolites of common carp (Cyprinus carpio L.). First, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from common carp muscle. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. Next, the metabolomic fingerprints (mass spectra) of a large set of common carp muscle extracts were acquired. Finally, the experimental data were statistically evaluated using principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). Using this approach, differentiation of common carp muscle in response to dietary supplementation (feeding with and without cereals) was feasible. Correct classification was obtained based on the assessment of polar and as well as non-polar extracts fingerprints. The current study showed that DART–TOFMS metabolomic fingerprinting represents a rapid and powerful analytical strategy enabling differentiation of common carp muscles according to feeding history by recording metabolomic fingerprints of ionizable components under the conditions of ambient MS.\n
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\n \n\n \n \n \n \n \n \n Application of direct analysis in real time ionization–mass spectrometry (DART–MS) in chicken meat metabolomics aiming at the retrospective control of feed fraud.\n \n \n \n \n\n\n \n Cajka, T.; Danhelova, H.; Zachariasova, M.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Metabolomics,1–13. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cajka_application_2013,\n\ttitle = {Application of direct analysis in real time ionization–mass spectrometry ({DART}–{MS}) in chicken meat metabolomics aiming at the retrospective control of feed fraud},\n\tissn = {1573-3882},\n\turl = {http://dx.doi.org/10.1007/s11306-013-0495-z},\n\tdoi = {10.1007/s11306-013-0495-z},\n\tabstract = {Metabolomic fingerprinting enabled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium–high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a tool for differentiation between chickens fed by feed that contained 5–8 \\% (w/w) of chicken bone meal (a banned component) and those representing a reference group, i.e. grown otherwise under the same conditions. In the first step, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from chicken muscle and feed on which experimental animals were grown. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. In the next step, metabolomic fingerprints of a large set of chicken muscle and feed extracts were acquired. In the final phase, the experimental data were statistically evaluated using principal component analysis and orthogonal partial least squares discriminant analysis. In general, differentiation of chicken muscle according to diet (feed with and without the addition of chicken bone meal) was feasible. Additional experiments conducted after 6 months confirmed applicability of this approach. Correct classification was obtained based on the assessment of polar as well as non-polar extracts fingerprints. However, the analysis of non-polar extracts showed that the pattern of triacylglycerols is more prone to seasonal variability and/or type of raw materials used during feed preparation which obscures the bone meal impact to some extent.},\n\tlanguage = {English},\n\tjournal = {Metabolomics},\n\tauthor = {Cajka, Tomas and Danhelova, Hana and Zachariasova, Milena and Riddellova, Katerina and Hajslova, Jana},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {Authenticity, Chicken, Direct analysis in real time (DART), Feed, Metabolomic fingerprinting, mass spectrometry},\n\tpages = {1--13},\n}\n\n\n\n
\n
\n\n\n
\n Metabolomic fingerprinting enabled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium–high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a tool for differentiation between chickens fed by feed that contained 5–8 % (w/w) of chicken bone meal (a banned component) and those representing a reference group, i.e. grown otherwise under the same conditions. In the first step, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from chicken muscle and feed on which experimental animals were grown. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. In the next step, metabolomic fingerprints of a large set of chicken muscle and feed extracts were acquired. In the final phase, the experimental data were statistically evaluated using principal component analysis and orthogonal partial least squares discriminant analysis. In general, differentiation of chicken muscle according to diet (feed with and without the addition of chicken bone meal) was feasible. Additional experiments conducted after 6 months confirmed applicability of this approach. Correct classification was obtained based on the assessment of polar as well as non-polar extracts fingerprints. However, the analysis of non-polar extracts showed that the pattern of triacylglycerols is more prone to seasonal variability and/or type of raw materials used during feed preparation which obscures the bone meal impact to some extent.\n
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\n \n\n \n \n \n \n \n \n Soft Ionization of Saturated Hydrocarbons, Alcohols and Nonpolar Compounds by Negative-Ion Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n \n\n\n \n Cody, R.; and Dane, A.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry,1–6. February 2013.\n \n\n\n\n
\n\n\n\n \n \n \"SoftPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cody_soft_2013,\n\ttitle = {Soft {Ionization} of {Saturated} {Hydrocarbons}, {Alcohols} and {Nonpolar} {Compounds} by {Negative}-{Ion} {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-012-0569-6},\n\tdoi = {10.1007/s13361-012-0569-6},\n\tabstract = {Large polarizable n-alkanes (approximately C18 and larger), alcohols, and other nonpolar compounds can be detected as negative ions when sample solutions are injected directly into the sampling orifice of the atmospheric pressure interface of the time-of-flight mass spectrometer with the direct analysis in real time (DART) ion source operating in negative-ion mode. The mass spectra are dominated by peaks corresponding to [M + O2]‾•. No fragmentation is observed, making this a very soft ionization technique for samples that are otherwise difficult to analyze by DART. Detection limits for cholesterol were determined to be in the low nanogram range.},\n\tlanguage = {English},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Cody, RobertB. and Dane, A.John},\n\tmonth = feb,\n\tyear = {2013},\n\tkeywords = {Alcohols, Alkanes, Ambient, Cholesterol, DART, Direct analysis in real time, Hydrocarbons, Ionization, Negative ions, Triglycerides},\n\tpages = {1--6},\n}\n\n\n\n
\n
\n\n\n
\n Large polarizable n-alkanes (approximately C18 and larger), alcohols, and other nonpolar compounds can be detected as negative ions when sample solutions are injected directly into the sampling orifice of the atmospheric pressure interface of the time-of-flight mass spectrometer with the direct analysis in real time (DART) ion source operating in negative-ion mode. The mass spectra are dominated by peaks corresponding to [M + O2]‾•. No fragmentation is observed, making this a very soft ionization technique for samples that are otherwise difficult to analyze by DART. Detection limits for cholesterol were determined to be in the low nanogram range.\n
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\n \n\n \n \n \n \n \n \n Monitoring batch-to-batch reproducibility using direct analysis in real time mass spectrometry and multivariate analysis: A case study on precipitation.\n \n \n \n \n\n\n \n Zeng, S.; Chen, T.; Wang, L.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 76(0): 87–95. March 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MonitoringPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zeng_monitoring_2013,\n\ttitle = {Monitoring batch-to-batch reproducibility using direct analysis in real time mass spectrometry and multivariate analysis: {A} case study on precipitation},\n\tvolume = {76},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708512006863},\n\tdoi = {10.1016/j.jpba.2012.12.014},\n\tabstract = {Batch-to-batch variability of traditional Chinese medicine (TCM) has already heavily limited its industrial development. By utilizing direct analysis in real time mass spectrometry (DART-MS) and multivariate statistical analysis, the present study introduced a novel and rapid methodology for TCM manufacturing process monitoring. Danshen alkaline precipitation was employed as an example operating unit to demonstrate the effectiveness of this new technique. A total of 15 batches run under normal operating conditions were used to develop a reference principal component analysis model and then enabled the establishment of multivariate control charts. Hotteling T2 and DModX charts were applied to examine batch-to-batch reproducibility of 12 test batches. Artificial variations including starting material change and process fault were identified, which was in a good agreement with conventional analysis result. Further understanding of the deviating process behavior was achieved by investigating the contribution plot of abnormal batches. The results showed that DART-MS, in conjunction with multivariate analysis, provided valuable information on model process and gave us a new perspective for TCM manufacturing process monitoring.},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Zeng, Shanshan and Chen, Teng and Wang, Lu and Qu, Haibin},\n\tmonth = mar,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Manufacturing process monitoring, Multivariate control charts, Traditional Chinese medicine, mass spectrometry},\n\tpages = {87--95},\n}\n\n\n\n
\n
\n\n\n
\n Batch-to-batch variability of traditional Chinese medicine (TCM) has already heavily limited its industrial development. By utilizing direct analysis in real time mass spectrometry (DART-MS) and multivariate statistical analysis, the present study introduced a novel and rapid methodology for TCM manufacturing process monitoring. Danshen alkaline precipitation was employed as an example operating unit to demonstrate the effectiveness of this new technique. A total of 15 batches run under normal operating conditions were used to develop a reference principal component analysis model and then enabled the establishment of multivariate control charts. Hotteling T2 and DModX charts were applied to examine batch-to-batch reproducibility of 12 test batches. Artificial variations including starting material change and process fault were identified, which was in a good agreement with conventional analysis result. Further understanding of the deviating process behavior was achieved by investigating the contribution plot of abnormal batches. The results showed that DART-MS, in conjunction with multivariate analysis, provided valuable information on model process and gave us a new perspective for TCM manufacturing process monitoring.\n
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\n \n\n \n \n \n \n \n \n The Classification of Inkjet Inks Using AccuTOF™DART™ (Direct Analysis in Real Time) Mass Spectrometry—A Preliminary Study.\n \n \n \n \n\n\n \n Houlgrave, S.; LaPorte, G. M.; Stephens, J. C.; and Wilson, J. L.\n\n\n \n\n\n\n Journal of Forensic Sciences,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{houlgrave_classification_2013,\n\ttitle = {The {Classification} of {Inkjet} {Inks} {Using} {AccuTOF}™{DART}™ ({Direct} {Analysis} in {Real} {Time}) {Mass} {Spectrometry}—{A} {Preliminary} {Study}},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12048},\n\tdoi = {10.1111/1556-4029.12048},\n\tabstract = {A novel approach for the analysis of inkjet inks is being reported. A time-of-flight mass spectrometer, coupled with a Direct Analysis in Real Time (DART™) ion source (AccuTOF™ DART™), was used to determine if inkjet inks from various manufacturers and models of printers could be reliably differentiated, characterized, and identified. A total of 217 ink standards were analyzed. As inkjet printing often involves the use of multiple colors (e.g., cyan, magenta, yellow, and black) to form an image or text, two different approaches to creating a library of standards and sampling methods were evaluated for implementation in a standard operating procedure. This research will show that a microscopic examination of the region of interest is requisite to identify what colors were utilized during the printing process, prior to comparing with known standards. Finally, blind testing was administered with 10 unknown samples to assess the validity and accuracy of the methodology.},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Houlgrave, Stephanie and LaPorte, Gerald M. and Stephens, Joseph C. and Wilson, Justin L.},\n\tyear = {2013},\n\tkeywords = {DART™, Direct analysis in real time, forensic document examination, forensic science, ink analysis, inkjet inks, mass spectrometry, printers, questioned documents},\n\tpages = {n/a--n/a},\n}\n\n\n\n
\n
\n\n\n
\n A novel approach for the analysis of inkjet inks is being reported. A time-of-flight mass spectrometer, coupled with a Direct Analysis in Real Time (DART™) ion source (AccuTOF™ DART™), was used to determine if inkjet inks from various manufacturers and models of printers could be reliably differentiated, characterized, and identified. A total of 217 ink standards were analyzed. As inkjet printing often involves the use of multiple colors (e.g., cyan, magenta, yellow, and black) to form an image or text, two different approaches to creating a library of standards and sampling methods were evaluated for implementation in a standard operating procedure. This research will show that a microscopic examination of the region of interest is requisite to identify what colors were utilized during the printing process, prior to comparing with known standards. Finally, blind testing was administered with 10 unknown samples to assess the validity and accuracy of the methodology.\n
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\n \n\n \n \n \n \n \n \n Newborn screening of phenylketonuria using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Wang, C.; Zhu, H.; Cai, Z.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. February 2013.\n \n\n\n\n
\n\n\n\n \n \n \"NewbornPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wang_newborn_2013,\n\ttitle = {Newborn screening of phenylketonuria using direct analysis in real time ({DART}) mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6713-8},\n\tdoi = {10.1007/s00216-013-6713-8},\n\tabstract = {Phenylketonuria (PKU) is commonly included in the newborn screening panel of most countries, with various techniques being used for quantification of l-phenylalanine (Phe). To diagnose PKU as early as possible in newborn screening, a rapid and simple method of analysis was developed. Using direct analysis in real time (DART) ionization coupled with triple-quadrupole tandem mass spectrometry (TQ-MS/MS) and with use of a 12 DIP-it tip scanner autosampler in positive ion mode, we analyzed dried blood spot (DBS) samples from PKU newborns. The concentration of Phe was determined using multiple reaction monitoring mode with the nondeuterated internal standard N,N-dimethylphenylalanine. The results of the analysis of DBS samples from newborns indicated that the DART-TQ-MS/MS method is fast, accurate, and reproducible. The results prove that this assay as a newborn screen for PKU can be performed in 18 s per sample for the quantification of Phe in DBS samples. DART-TQ-MS/MS analysis of the Phe concentration in DBS samples allowed us to screen newborns for PKU. This innovative protocol is rapid and can be effectively applied on a routine basis to analyze a large number of samples in PKU newborn screening and PKU patient monitoring.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Wang, Chunyan and Zhu, Hongbin and Cai, Zongwei and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tmonth = feb,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time (DART) triple-quadrupole tandem mass spectrometry, Dried blood spot, Phenylalanine, Phenylketonuria},\n\tpages = {1--6},\n}\n\n\n\n
\n
\n\n\n
\n Phenylketonuria (PKU) is commonly included in the newborn screening panel of most countries, with various techniques being used for quantification of l-phenylalanine (Phe). To diagnose PKU as early as possible in newborn screening, a rapid and simple method of analysis was developed. Using direct analysis in real time (DART) ionization coupled with triple-quadrupole tandem mass spectrometry (TQ-MS/MS) and with use of a 12 DIP-it tip scanner autosampler in positive ion mode, we analyzed dried blood spot (DBS) samples from PKU newborns. The concentration of Phe was determined using multiple reaction monitoring mode with the nondeuterated internal standard N,N-dimethylphenylalanine. The results of the analysis of DBS samples from newborns indicated that the DART-TQ-MS/MS method is fast, accurate, and reproducible. The results prove that this assay as a newborn screen for PKU can be performed in 18 s per sample for the quantification of Phe in DBS samples. DART-TQ-MS/MS analysis of the Phe concentration in DBS samples allowed us to screen newborns for PKU. This innovative protocol is rapid and can be effectively applied on a routine basis to analyze a large number of samples in PKU newborn screening and PKU patient monitoring.\n
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\n \n\n \n \n \n \n \n \n Real Time In Situ Chemical Characterization of Sub-micron Organic Particles Using Direct Analysis in Real Time Mass Spectrometry (DART-MS).\n \n \n \n \n\n\n \n Nah, T.; Chan, M.; Leone, S. R; and Wilson, K. R.\n\n\n \n\n\n\n Analytical Chemistry. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RealPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{nah_real_2013,\n\ttitle = {Real {Time} {In} {Situ} {Chemical} {Characterization} of {Sub}-micron {Organic} {Particles} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS})},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac302560c},\n\tdoi = {10.1021/ac302560c},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) is used to analyze the chemical composition of nanometer-sized organic aerosol particles in real time at atmospheric pressure. By introducing a stream of particles in between the DART ionization source and the atmospheric pressure inlet of the mass spectrometer, the aerosol is exposed to a thermal flow of helium gas containing some fraction of metastable helium atoms. In this configuration, the molecular constituents of organic particles are desorbed, ionized and detected with reduced molecular ion fragmentation, allowing for compositional identification. Aerosol components that are detected include alkanes, alkenes, acids, esters, alcohols, aldehydes and amino acids. The ion signal produced by DART-MS scales with the aerosol surface area rather than particle volume, suggesting that DART-MS is a viable technique to measure the chemical composition of the particle interface. For oleic acid, particle size measurements of the aerosol stream exiting the ionization region suggest that the probing depth depends upon the desorption temperature. The probing depth is observed to depend upon desorption temperature and is estimated to be on the order of 5 nm for a 185 nm diameter particle at a DART heater temperature of 500 °C. The reaction of ozone with sub-micron oleic acid particles is measured to demonstrate the ability of this technique to identify products and quantify reaction rates in a heterogeneous reaction.},\n\turldate = {2013-01-22},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nah, Theodora and Chan, ManNin and Leone, Stephen R and Wilson, Kevin R.},\n\tmonth = jan,\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) is used to analyze the chemical composition of nanometer-sized organic aerosol particles in real time at atmospheric pressure. By introducing a stream of particles in between the DART ionization source and the atmospheric pressure inlet of the mass spectrometer, the aerosol is exposed to a thermal flow of helium gas containing some fraction of metastable helium atoms. In this configuration, the molecular constituents of organic particles are desorbed, ionized and detected with reduced molecular ion fragmentation, allowing for compositional identification. Aerosol components that are detected include alkanes, alkenes, acids, esters, alcohols, aldehydes and amino acids. The ion signal produced by DART-MS scales with the aerosol surface area rather than particle volume, suggesting that DART-MS is a viable technique to measure the chemical composition of the particle interface. For oleic acid, particle size measurements of the aerosol stream exiting the ionization region suggest that the probing depth depends upon the desorption temperature. The probing depth is observed to depend upon desorption temperature and is estimated to be on the order of 5 nm for a 185 nm diameter particle at a DART heater temperature of 500 °C. The reaction of ozone with sub-micron oleic acid particles is measured to demonstrate the ability of this technique to identify products and quantify reaction rates in a heterogeneous reaction.\n
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\n \n\n \n \n \n \n \n \n A novel sampling method for identification of endogenous skin surface compounds by use of DART-MS and MALDI-MS.\n \n \n \n \n\n\n \n Mess, A.; Enthaler, B.; Fischer, M.; Rapp, C.; Pruns, J. K.; and Vietzke, J.\n\n\n \n\n\n\n Talanta, 103(0): 398–402. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{mess_novel_2013,\n\ttitle = {A novel sampling method for identification of endogenous skin surface compounds by use of {DART}-{MS} and {MALDI}-{MS}},\n\tvolume = {103},\n\tissn = {0039-9140},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0039914012009046},\n\tdoi = {10.1016/j.talanta.2012.10.073},\n\tabstract = {Identification of endogenous skin surface compounds is an intriguing challenge in comparative skin investigations. Notably, this short communication is focused on the analysis of small molecules, e.g. natural moisturizing factor (NMF) components and lipids, using a novel sampling method with DIP-it samplers for non-invasive examination of the human skin surface. As a result, extraction of analytes directly from the skin surface by use of various solvents can be replaced with the mentioned procedure. Screening of measureable compounds is achieved by direct analysis in real time mass spectrometry (DART-MS) without further sample preparation. Results are supplemented by dissolving analytes from the DIP-it samplers by use of different solvents, and subsequent matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) measurements. An interesting comparison of the mentioned MS techniques for determination of skin surface compounds in the mass range of 50–1000 Da is presented.},\n\tnumber = {0},\n\tjournal = {Talanta},\n\tauthor = {Mess, Aylin and Enthaler, Bernd and Fischer, Markus and Rapp, Claudius and Pruns, Julia K. and Vietzke, Jens-Peter},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {DART-MS, DIP-it samplers, MALDI-MS, Skin surface compounds},\n\tpages = {398--402},\n}\n\n\n\n
\n
\n\n\n
\n Identification of endogenous skin surface compounds is an intriguing challenge in comparative skin investigations. Notably, this short communication is focused on the analysis of small molecules, e.g. natural moisturizing factor (NMF) components and lipids, using a novel sampling method with DIP-it samplers for non-invasive examination of the human skin surface. As a result, extraction of analytes directly from the skin surface by use of various solvents can be replaced with the mentioned procedure. Screening of measureable compounds is achieved by direct analysis in real time mass spectrometry (DART-MS) without further sample preparation. Results are supplemented by dissolving analytes from the DIP-it samplers by use of different solvents, and subsequent matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) measurements. An interesting comparison of the mentioned MS techniques for determination of skin surface compounds in the mass range of 50–1000 Da is presented.\n
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\n \n\n \n \n \n \n \n \n Electro-Thermal Vaporization Direct Analysis in Real Time-Mass Spectrometry for Water Contaminant Analysis during Space Missions.\n \n \n \n \n\n\n \n Dwivedi, P.; Gazda, D. B.; Keelor, J. D.; Limero, T. F.; Wallace, W. T.; Macatangay, A. V.; and Fernández, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 85(20): 9898–9906. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Electro-ThermalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{dwivedi_electro-thermal_2013,\n\ttitle = {Electro-{Thermal} {Vaporization} {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry} for {Water} {Contaminant} {Analysis} during {Space} {Missions}},\n\tvolume = {85},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac402365k},\n\tdoi = {10.1021/ac402365k},\n\tabstract = {The development of a direct analysis in real time-mass spectrometry (DART-MS) method and first prototype vaporizer for the detection of low molecular weight (?30?100 Da) contaminants representative of those detected in water samples from the International Space Station is reported. A temperature-programmable, electro-thermal vaporizer (ETV) was designed, constructed, and evaluated as a sampling interface for DART-MS. The ETV facilitates analysis of water samples with minimum user intervention while maximizing analytical sensitivity and sample throughput. The integrated DART-ETV-MS methodology was evaluated in both positive and negative ion modes to (1) determine experimental conditions suitable for coupling DART with ETV as a sample inlet and ionization platform for time-of-flight MS, (2) to identify analyte response ions, (3) to determine the detection limit and dynamic range for target analyte measurement, and (4) to determine the reproducibility of measurements made with the method when using manual sample introduction into the vaporizer. Nitrogen was used as the DART working gas, and the target analytes chosen for the study were ethyl acetate, acetone, acetaldehyde, ethanol, ethylene glycol, dimethylsilanediol, formaldehyde, isopropanol, methanol, methylethyl ketone, methylsulfone, propylene glycol, and trimethylsilanol.},\n\tnumber = {20},\n\turldate = {2013-11-25},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Dwivedi, Prabha and Gazda, Daniel B. and Keelor, Joel D. and Limero, Thomas F. and Wallace, William T. and Macatangay, Ariel V. and Fernández, Facundo M.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {9898--9906},\n}\n\n\n\n
\n
\n\n\n
\n The development of a direct analysis in real time-mass spectrometry (DART-MS) method and first prototype vaporizer for the detection of low molecular weight (?30?100 Da) contaminants representative of those detected in water samples from the International Space Station is reported. A temperature-programmable, electro-thermal vaporizer (ETV) was designed, constructed, and evaluated as a sampling interface for DART-MS. The ETV facilitates analysis of water samples with minimum user intervention while maximizing analytical sensitivity and sample throughput. The integrated DART-ETV-MS methodology was evaluated in both positive and negative ion modes to (1) determine experimental conditions suitable for coupling DART with ETV as a sample inlet and ionization platform for time-of-flight MS, (2) to identify analyte response ions, (3) to determine the detection limit and dynamic range for target analyte measurement, and (4) to determine the reproducibility of measurements made with the method when using manual sample introduction into the vaporizer. Nitrogen was used as the DART working gas, and the target analytes chosen for the study were ethyl acetate, acetone, acetaldehyde, ethanol, ethylene glycol, dimethylsilanediol, formaldehyde, isopropanol, methanol, methylethyl ketone, methylsulfone, propylene glycol, and trimethylsilanol.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time high-resolution mass spectrometry for high-throughput analysis of antiparasitic veterinary drugs in feed and food.\n \n \n \n \n\n\n \n Martínez-Villalba, A.; Vaclavik, L.; Moyano, E.; Galceran, M. T.; and Hajslova, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(3): 467–475. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{martinez-villalba_direct_2013,\n\ttitle = {Direct analysis in real time high-resolution mass spectrometry for high-throughput analysis of antiparasitic veterinary drugs in feed and food},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6466},\n\tdoi = {10.1002/rcm.6466},\n\tabstract = {RATIONALE \n \nDirect analysis in real time (DART) is a novel ionization technique that has been demonstrated in numerous applications as a useful tool for fast and convenient mass spectrometry (MS)-based analysis of complex samples. In this study, the feasibility of DART ionization coupled to a high-resolution mass spectrometer utilizing an orbitrap mass analyzer (orbitrap MS) for high-throughput analysis of antiparasitic veterinary drugs was explored. \n \nMETHODS \n \nTo obtain the best DART-orbitrap MS performance, stepwise optimization of instrumental parameter settings, such as ionization gas temperature and mass resolving power, was performed. The optimized method was applied to feed and bovine milk samples previously extracted following a QuEChERS-like strategy. \n \nRESULTS \n \nMost antiparasitic drugs could be analyzed following the described method. Positive DART ionization provided the protonated molecules [M+H]+; in negative DART ion mode, deprotonated molecules [M–H]– were observed. As an exception, polyether ionophores could be observed as the sodiated adducts [M+Na]+. Samples of milk and feed were extracted using a modified QuEChERS method for the determination of benzimidazoles and coccidiostats respectively and quantification was carried out by matrix-matched calibration curves. \n \nCONCLUSIONS \n \nThe combination of an analysis time of less than 1 min per sample and the possibility to acquire accurate masses under high mass resolving power (HR) makes the DART-HRMS technique an effective tool for rapid qualitative screening of antiparasitic veterinary drugs. Additionally, the results obtained in this study demonstrated the feasibility of this approach to quantify target analytes at levels down to 1 µg kg–1 for benzimidazolic compounds in milk and 0.25 mg kg–1 for coccidiostats in chicken feed. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Martínez-Villalba, Anna and Vaclavik, Lukas and Moyano, Encarnación and Galceran, Maria Teresa and Hajslova, Jana},\n\tyear = {2013},\n\tpages = {467--475},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Direct analysis in real time (DART) is a novel ionization technique that has been demonstrated in numerous applications as a useful tool for fast and convenient mass spectrometry (MS)-based analysis of complex samples. In this study, the feasibility of DART ionization coupled to a high-resolution mass spectrometer utilizing an orbitrap mass analyzer (orbitrap MS) for high-throughput analysis of antiparasitic veterinary drugs was explored. METHODS To obtain the best DART-orbitrap MS performance, stepwise optimization of instrumental parameter settings, such as ionization gas temperature and mass resolving power, was performed. The optimized method was applied to feed and bovine milk samples previously extracted following a QuEChERS-like strategy. RESULTS Most antiparasitic drugs could be analyzed following the described method. Positive DART ionization provided the protonated molecules [M+H]+; in negative DART ion mode, deprotonated molecules [M–H]– were observed. As an exception, polyether ionophores could be observed as the sodiated adducts [M+Na]+. Samples of milk and feed were extracted using a modified QuEChERS method for the determination of benzimidazoles and coccidiostats respectively and quantification was carried out by matrix-matched calibration curves. CONCLUSIONS The combination of an analysis time of less than 1 min per sample and the possibility to acquire accurate masses under high mass resolving power (HR) makes the DART-HRMS technique an effective tool for rapid qualitative screening of antiparasitic veterinary drugs. Additionally, the results obtained in this study demonstrated the feasibility of this approach to quantify target analytes at levels down to 1 µg kg–1 for benzimidazolic compounds in milk and 0.25 mg kg–1 for coccidiostats in chicken feed. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Argon direct analysis in real time mass spectrometry in conjunction with makeup solvents: a method for analysis of labile compounds.\n \n \n \n \n\n\n \n Yang, H; Wan, D; Song, F; Liu, Z; and Liu, S\n\n\n \n\n\n\n Analytical chemistry, 85(3): 1305–1309. February 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ArgonPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{yang_argon_2013,\n\ttitle = {Argon direct analysis in real time mass spectrometry in conjunction with makeup solvents: a method for analysis of labile compounds.},\n\tvolume = {85},\n\turl = {http://europepmc.org/abstract/MED/23252884},\n\tabstract = {Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with makeup solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a makeup solvent (absolute ethyl alcohol, methanol, fluorobenzene, or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.},\n\tnumber = {3},\n\tjournal = {Analytical chemistry},\n\tauthor = {Yang, H and Wan, D and Song, F and Liu, Z and Liu, S},\n\tmonth = feb,\n\tyear = {2013},\n\tpages = {1305--1309},\n}\n\n\n\n
\n
\n\n\n
\n Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with makeup solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a makeup solvent (absolute ethyl alcohol, methanol, fluorobenzene, or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry of covalently bound organic monolayers.\n \n \n \n \n\n\n \n Manova, R. K.; Claassen, F. W.; Nielen, M. W. F.; Zuilhof, H.; and van Beek, T. A.\n\n\n \n\n\n\n Chemical Communications. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{manova_ambient_2013,\n\ttitle = {Ambient mass spectrometry of covalently bound organic monolayers},\n\tissn = {1359-7345},\n\turl = {http://dx.doi.org/10.1039/C2CC37605A},\n\tabstract = {Detailed molecular analysis by Direct Analysis in Real Time High Resolution Mass Spectrometry (DART-HRMS) of ester and amide-terminated monolayers is demonstrated. The structural information obtained allowed monitoring of the progress of a 4-step surface modification.},\n\tjournal = {Chemical Communications},\n\tauthor = {Manova, Radostina K. and Claassen, Frank W. and Nielen, Michel W. F. and Zuilhof, Han and van Beek, Teris A.},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Detailed molecular analysis by Direct Analysis in Real Time High Resolution Mass Spectrometry (DART-HRMS) of ester and amide-terminated monolayers is demonstrated. The structural information obtained allowed monitoring of the progress of a 4-step surface modification.\n
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\n \n\n \n \n \n \n \n \n Semi-quantitative analysis of contaminants in soils by direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(2): 305–318. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Semi-quantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{grange_semi-quantitative_2013,\n\ttitle = {Semi-quantitative analysis of contaminants in soils by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6450},\n\tdoi = {10.1002/rcm.6450},\n\tabstract = {RATIONALE \n \nCleaning up contaminated sites is a goal of the U.S. Environmental Protection Agency (EPA). A simple, high-throughput, inexpensive, selective, and specific screening method for semi-volatile, polar organic contaminants would provide high spatial resolution for monitoring remediation and for documenting successful clean ups in numerous Superfund, Brownfield, and other contaminated sites. \n \nMETHODS \n \nAn autosampler/Direct Analysis in Real Time (DART)/time-of-flight (TOF) mass spectrometer, with or without a Vapur® evacuated flange, was used to analyze 0.01–33\\% levels of aspirin, diphenylamine, and pentachlorophenol mixed with soil. Triplicate water-soaked swabs were manually rotated in wet analyte:soil mixtures, air dried for 2–3 h, and analyzed directly. To minimize carryover, insensitive and sensitive instrumental conditions were used to analyze high and low analyte levels, respectively. Simulated two-dimensional (2D) mapping and remediation threshold experiments were performed to test the utility of DART-TOFMS for possible sampling strategies. \n \nRESULTS \n \nAnalyte levels differing by factors of 10 were discernible. Data were acquired for 30 swabs in 0.9 min and 3 min with helium stream temperatures of 150 °C and 250 °C and swab transport velocities of 1.45 cm/s and 0.5 cm/s, respectively. With the Vapur flange attached, the average relative standard deviations (RSDs) (n = 3) were between 16\\% and 40\\% for different analytes and analyte levels. Carryover was greatly reduced by removing the Vapur flange, but higher RSDs and occasional plugging of the cone orifice were observed. \n \nCONCLUSIONS \n \nA rapid, simple, rugged, and relatively inexpensive, but selective and sufficiently sensitive, semi-quantitative screening method for semi-volatile, polar, organic compounds in soil was demonstrated. The technique would provide the high spatial resolution necessary to find localized areas of high contamination within contaminated sites that might pose a risk to human and ecological health. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {2},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H.},\n\tmonth = jan,\n\tyear = {2013},\n\tpages = {305--318},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Cleaning up contaminated sites is a goal of the U.S. Environmental Protection Agency (EPA). A simple, high-throughput, inexpensive, selective, and specific screening method for semi-volatile, polar organic contaminants would provide high spatial resolution for monitoring remediation and for documenting successful clean ups in numerous Superfund, Brownfield, and other contaminated sites. METHODS An autosampler/Direct Analysis in Real Time (DART)/time-of-flight (TOF) mass spectrometer, with or without a Vapur® evacuated flange, was used to analyze 0.01–33% levels of aspirin, diphenylamine, and pentachlorophenol mixed with soil. Triplicate water-soaked swabs were manually rotated in wet analyte:soil mixtures, air dried for 2–3 h, and analyzed directly. To minimize carryover, insensitive and sensitive instrumental conditions were used to analyze high and low analyte levels, respectively. Simulated two-dimensional (2D) mapping and remediation threshold experiments were performed to test the utility of DART-TOFMS for possible sampling strategies. RESULTS Analyte levels differing by factors of 10 were discernible. Data were acquired for 30 swabs in 0.9 min and 3 min with helium stream temperatures of 150 °C and 250 °C and swab transport velocities of 1.45 cm/s and 0.5 cm/s, respectively. With the Vapur flange attached, the average relative standard deviations (RSDs) (n = 3) were between 16% and 40% for different analytes and analyte levels. Carryover was greatly reduced by removing the Vapur flange, but higher RSDs and occasional plugging of the cone orifice were observed. CONCLUSIONS A rapid, simple, rugged, and relatively inexpensive, but selective and sufficiently sensitive, semi-quantitative screening method for semi-volatile, polar, organic compounds in soil was demonstrated. The technique would provide the high spatial resolution necessary to find localized areas of high contamination within contaminated sites that might pose a risk to human and ecological health. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n A novel sampling method for identification of endogenous skin surface compounds by use of DART-MS and MALDI-MS.\n \n \n \n \n\n\n \n Mess, A.; Enthaler, B.; Fischer, M.; Rapp, C.; Pruns, J. K.; and Vietzke, J.\n\n\n \n\n\n\n Talanta, 103: 398–402. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{mess_novel_2013,\n\ttitle = {A novel sampling method for identification of endogenous skin surface compounds by use of {DART}-{MS} and {MALDI}-{MS}},\n\tvolume = {103},\n\tissn = {00399140},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0039914012009046},\n\tdoi = {10.1016/j.talanta.2012.10.073},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Talanta},\n\tauthor = {Mess, Aylin and Enthaler, Bernd and Fischer, Markus and Rapp, Claudius and Pruns, Julia K. and Vietzke, Jens-Peter},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {DART-MS, DIP-it samplers, MALDI-MS, Skin surface compounds},\n\tpages = {398--402},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Fragmentation Behavior Studies of Chalcones Employing Direct Analysis in Real Time (DART).\n \n \n \n \n\n\n \n Rahman, M.; Attwa, M.; Ahmad, P.; Baseeruddin, M.; and Kadi, A.\n\n\n \n\n\n\n Mass Spectrometry Letters, 4: 30–33. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"FragmentationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{rahman_fragmentation_2013,\n\ttitle = {Fragmentation {Behavior} {Studies} of {Chalcones} {Employing} {Direct} {Analysis} in {Real} {Time} ({DART})},\n\tvolume = {4},\n\turl = {http://www.msletters.org},\n\tabstract = {Chalcones are naturally occurring, biologically active molecules generating interest from a wide range of research\napplications including synthetic methodology development, biological activity investigation and studying fragmentation patterns. In\nthis article, a series of chalcones has been synthesized and their fragmentation behavior was studied using modern ambient ionization\ntechnique Direct Analysis in Real Time (DART). DART ion source connected with an ion trap mass spectrometer was\nused for the fragmentation of various substituted chalcones. The chalcones were introduced to the DART source using a glass\ncapillary without sample preparation step. All the chalcones showed prominent molecular ion peaks [M]•+ corresponding to the\nstructures. Multistage mass spectral data MSn (MS2 and MS3) were collected for all the chalcones studied. The chalcones with\nsubstitutions at 3, 4 or 5 positions gave product ion peaks with the loss of a phenyl radical (Ph•) by radical initiated α-cleavage,\nwhile substitution at 2 position of chalcone in the A-ring gave a product ion peak with the loss of substituted styryl radical\n(PhCH = CH•). In case of the chalcones with the substituent at 4 positions in A and B rings gave both types of fragmentation patterns.\nIn conclusion, chalcones can be easily characterized using modern DART interface in very short time and efficiently\nwithout any cumbersome sample pretreatment.},\n\tjournal = {Mass Spectrometry Letters},\n\tauthor = {Rahman, Motiur and Attwa, Mohamed and Ahmad, Pervez and Baseeruddin, Mohammad and Kadi, Adnan},\n\tyear = {2013},\n\tpages = {30--33},\n}\n\n\n\n
\n
\n\n\n
\n Chalcones are naturally occurring, biologically active molecules generating interest from a wide range of research applications including synthetic methodology development, biological activity investigation and studying fragmentation patterns. In this article, a series of chalcones has been synthesized and their fragmentation behavior was studied using modern ambient ionization technique Direct Analysis in Real Time (DART). DART ion source connected with an ion trap mass spectrometer was used for the fragmentation of various substituted chalcones. The chalcones were introduced to the DART source using a glass capillary without sample preparation step. All the chalcones showed prominent molecular ion peaks [M]•+ corresponding to the structures. Multistage mass spectral data MSn (MS2 and MS3) were collected for all the chalcones studied. The chalcones with substitutions at 3, 4 or 5 positions gave product ion peaks with the loss of a phenyl radical (Ph•) by radical initiated α-cleavage, while substitution at 2 position of chalcone in the A-ring gave a product ion peak with the loss of substituted styryl radical (PhCH = CH•). In case of the chalcones with the substituent at 4 positions in A and B rings gave both types of fragmentation patterns. In conclusion, chalcones can be easily characterized using modern DART interface in very short time and efficiently without any cumbersome sample pretreatment.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) of Ionic Liquids.\n \n \n \n \n\n\n \n Mazzotta, M.; Pace, R.; Wallgren, B.; Morton, S.; Miller, K.; and Smith, D.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry,1–4. August 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{mazzotta_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) of {Ionic} {Liquids}},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-013-0696-8},\n\tdoi = {10.1007/s13361-013-0696-8},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) was used to analyze ionic liquids (ILs) containing either imidazolium or phosphonium cations combined with different types of inorganic and organic anions. Ionic liquids were directly inserted into the ionization source using a glass probe without dissolution into organic solvents. Mass spectra of the ILs were collected in both positive and negative mode with a linear ion-trap instrument. The intact cation of the compound was typically the dominant peak in positive mass spectra and cluster ion formation was present. Some individual anions were not readily observed in the negative mass spectra (based on the type of anion); however, the mass difference of adjacent cluster ions equal the mass of a complete IL and the anion mass could be verified by subtracting the known cation mass. The degree and intensity of the cluster ion formations was found to be dependent on the nature of the specific ILs as well as the DART temperature gas stream.},\n\tlanguage = {English},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Mazzotta, MichaelG. and Pace, RobertB. and Wallgren, BrandyN. and Morton, SamuelA. and Miller, KevinM. and Smith, DarrinL.},\n\tmonth = aug,\n\tyear = {2013},\n\tkeywords = {Ambient MS, Direct analysis in real time (DART), Ionic liquids, Qualitative MS},\n\tpages = {1--4},\n}\n\n\n\n
\n
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\n Direct analysis in real time mass spectrometry (DART-MS) was used to analyze ionic liquids (ILs) containing either imidazolium or phosphonium cations combined with different types of inorganic and organic anions. Ionic liquids were directly inserted into the ionization source using a glass probe without dissolution into organic solvents. Mass spectra of the ILs were collected in both positive and negative mode with a linear ion-trap instrument. The intact cation of the compound was typically the dominant peak in positive mass spectra and cluster ion formation was present. Some individual anions were not readily observed in the negative mass spectra (based on the type of anion); however, the mass difference of adjacent cluster ions equal the mass of a complete IL and the anion mass could be verified by subtracting the known cation mass. The degree and intensity of the cluster ion formations was found to be dependent on the nature of the specific ILs as well as the DART temperature gas stream.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) Analysis of Skin Metabolome Changes in the Ultraviolet B-Induced Mice.\n \n \n \n \n\n\n \n Park, H. M.; Kim, H. J.; Jang, Y. P.; and Kim, S. Y.\n\n\n \n\n\n\n Biomolecules and Therapeutics, 21(6): 470–475. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{park_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) {Analysis} of {Skin} {Metabolome} {Changes} in the {Ultraviolet} {B}-{Induced} {Mice}},\n\tvolume = {21},\n\turl = {http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3879919/},\n\tabstract = {Ultraviolet (UV) radiation is a major environmental factor that leads to acute and chronic reactions in the human skin. UV exposure induces wrinkle formation, DNA damage, and generation of reactive oxygen species (ROS). Most mechanistic studies of skin physiology and pharmacology related with UV-irradiated skin have focused on proteins and their related gene expression or single- targeted small molecules. The present study identified and analyzed the alteration of skin metabolites following UVB irradiation and topical retinyl palmitate (RP, 5\\%) treatment in hairless mice using direct analysis in real time (DART) time-of-flight mass spectrometry (TOF-MS) with multivariate analysis. Under the negative ion mode, the DART ion source successfully ionized various fatty acids including palmitoleic and linolenic acid. From DART-TOF-MS fingerprints measured in positive mode, the prominent dehydrated ion peak (m/z: 369, M+H-H2O) of cholesterol was characterized in all three groups. In positive mode, the discrimination among three groups was much clearer than that in negative mode by using multivariate analysis of orthogonal partial-least squares-discriminant analysis (OPLS-DA). DART-TOF-MS can ionize various small organic molecules in living tissues and is an efficient alternative analytical tool for acquiring full chemical fingerprints from living tissues without requiring sample preparation. DART-MS measurement of skin tissue with multivariate analysis proved to be a powerful method to discriminate between experimental groups and to find biomarkers for various experiment models in skin dermatological research.},\n\tnumber = {6},\n\tjournal = {Biomolecules and Therapeutics},\n\tauthor = {Park, Hye Min and Kim, Hye Jin and Jang, Young Pyo and Kim, Sun Yeou},\n\tyear = {2013},\n\tpages = {470--475},\n}\n\n\n\n
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\n Ultraviolet (UV) radiation is a major environmental factor that leads to acute and chronic reactions in the human skin. UV exposure induces wrinkle formation, DNA damage, and generation of reactive oxygen species (ROS). Most mechanistic studies of skin physiology and pharmacology related with UV-irradiated skin have focused on proteins and their related gene expression or single- targeted small molecules. The present study identified and analyzed the alteration of skin metabolites following UVB irradiation and topical retinyl palmitate (RP, 5%) treatment in hairless mice using direct analysis in real time (DART) time-of-flight mass spectrometry (TOF-MS) with multivariate analysis. Under the negative ion mode, the DART ion source successfully ionized various fatty acids including palmitoleic and linolenic acid. From DART-TOF-MS fingerprints measured in positive mode, the prominent dehydrated ion peak (m/z: 369, M+H-H2O) of cholesterol was characterized in all three groups. In positive mode, the discrimination among three groups was much clearer than that in negative mode by using multivariate analysis of orthogonal partial-least squares-discriminant analysis (OPLS-DA). DART-TOF-MS can ionize various small organic molecules in living tissues and is an efficient alternative analytical tool for acquiring full chemical fingerprints from living tissues without requiring sample preparation. DART-MS measurement of skin tissue with multivariate analysis proved to be a powerful method to discriminate between experimental groups and to find biomarkers for various experiment models in skin dermatological research.\n
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\n \n\n \n \n \n \n \n \n Application of mixture analysis to crude materials from natural resources (IV)[1(a-c)]: identification of Glycyrrhiza species by direct Analysis in real time mass spectrometry (II).\n \n \n \n \n\n\n \n Fukuda, E; Uesawa, Y; Baba, M; and Okada, Y\n\n\n \n\n\n\n Natural product communications, 8(12): 1721–1724. December 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{fukuda_application_2013,\n\ttitle = {Application of mixture analysis to crude materials from natural resources ({IV})[1(a-c)]: identification of {Glycyrrhiza} species by direct {Analysis} in real time mass spectrometry ({II}).},\n\tvolume = {8},\n\turl = {http://europepmc.org/abstract/MED/24555282},\n\tabstract = {In order to identify Glycyrrhiza species by chemical fingerprinting, the bark of the roots and stolons of Glycyrrhiza uralensis Fischer and G. glabra Linné were analyzed using DART (Direct Analysis in Real Time)-MS. The characteristic peaks of each species were determined statistically by volcano plot. This summarizes the relationship between the p-values of a statistical test and the magnitude of the difference in values of the samples in the groups. In this experiment, peaks that had a p value {\\textless}0.05 in the t test and Z2 absolute difference were defined as characteristic. As a result, characteristic peaks of G. uralensis were found at m/z 299, 315, 341, and 369. In contrast, characteristic peaks of G. glabra were found at m/z 323, 325, 337, 339, and 391. In conclusion, we found several characteristic peaks to distinguish G. uralensis and G. glabra by DART-MS using volcano plot. This method can be applied to identify the Glycyrrhiza species.},\n\tnumber = {12},\n\tjournal = {Natural product communications},\n\tauthor = {Fukuda, E and Uesawa, Y and Baba, M and Okada, Y},\n\tmonth = dec,\n\tyear = {2013},\n\tpages = {1721--1724},\n}\n\n\n\n
\n
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\n In order to identify Glycyrrhiza species by chemical fingerprinting, the bark of the roots and stolons of Glycyrrhiza uralensis Fischer and G. glabra Linné were analyzed using DART (Direct Analysis in Real Time)-MS. The characteristic peaks of each species were determined statistically by volcano plot. This summarizes the relationship between the p-values of a statistical test and the magnitude of the difference in values of the samples in the groups. In this experiment, peaks that had a p value \\textless0.05 in the t test and Z2 absolute difference were defined as characteristic. As a result, characteristic peaks of G. uralensis were found at m/z 299, 315, 341, and 369. In contrast, characteristic peaks of G. glabra were found at m/z 323, 325, 337, 339, and 391. In conclusion, we found several characteristic peaks to distinguish G. uralensis and G. glabra by DART-MS using volcano plot. This method can be applied to identify the Glycyrrhiza species.\n
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\n \n\n \n \n \n \n \n \n Optimizing Accu Time-of-Flight/Direct Analysis in Real Time for Explosive Residue Analysis.\n \n \n \n \n\n\n \n Swider, J. R.\n\n\n \n\n\n\n Journal of Forensic Sciences,n/a–n/a. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{swider_optimizing_2013,\n\ttitle = {Optimizing {Accu} {Time}-of-{Flight}/{Direct} {Analysis} in {Real} {Time} for {Explosive} {Residue} {Analysis}},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12276},\n\tdoi = {10.1111/1556-4029.12276},\n\tabstract = {The use of a direct analysis in real time (DART) mass spectrometer (MS) instrument was optimized for 22 compounds of organic explosive residues to provide a guide for DART-MS users in rapid screening of explosive compounds. Samples were introduced as neat solutions and sequential dilutions to determine optimal instrument conditions and lowest concentration detectable. Most compounds were optimized to 250°C in the negative ion mode, and several compounds benefited from the addition of a chloride dopant from methylene chloride (amino-dinitrotoluenes, RDX, EGDN, and PETN). Few compounds were more sensitive in the positive ion mode (TEGDN, DEGDN, HNS, and DMNB). Mixtures of compounds were detected using clean room wipes, directly from their surfaces and from subsequent extractions. Compounds from the mixtures were also successfully detected in soil and from swipes of spiked surfaces. The instrument showed merit in detection of pg/μL solutions for most of the compounds and among the substrates tested.},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Swider, Joseph R.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Explosives, Time-of-flight, forensic science, mass spectrometry, residue},\n\tpages = {n/a--n/a},\n}\n\n\n\n
\n
\n\n\n
\n The use of a direct analysis in real time (DART) mass spectrometer (MS) instrument was optimized for 22 compounds of organic explosive residues to provide a guide for DART-MS users in rapid screening of explosive compounds. Samples were introduced as neat solutions and sequential dilutions to determine optimal instrument conditions and lowest concentration detectable. Most compounds were optimized to 250°C in the negative ion mode, and several compounds benefited from the addition of a chloride dopant from methylene chloride (amino-dinitrotoluenes, RDX, EGDN, and PETN). Few compounds were more sensitive in the positive ion mode (TEGDN, DEGDN, HNS, and DMNB). Mixtures of compounds were detected using clean room wipes, directly from their surfaces and from subsequent extractions. Compounds from the mixtures were also successfully detected in soil and from swipes of spiked surfaces. The instrument showed merit in detection of pg/μL solutions for most of the compounds and among the substrates tested.\n
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\n \n\n \n \n \n \n \n \n Sampler for Collection and Analysis of Low Vapor Pressure Chemical (LVPC) Particulates/Aerosols.\n \n \n \n \n\n\n \n Ewing, K. J.; Gibson, D.; Sanghera, J.; and Miklos, F.\n\n\n \n\n\n\n Analytical Chemistry, 85(20): 9508–9513. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"SamplerPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{ewing_sampler_2013,\n\ttitle = {Sampler for {Collection} and {Analysis} of {Low} {Vapor} {Pressure} {Chemical} ({LVPC}) {Particulates}/{Aerosols}},\n\tvolume = {85},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac401100r},\n\tdoi = {10.1021/ac401100r},\n\tabstract = {Detection of low vapor pressure chemicals (LVPCs) such as pesticides and other toxic/hazardous materials on various environmental surfaces as well as LVPC aerosols is a significant challenge for current vapor phase detectors. We describe a novel sampling device which utilizes stainless steel screens coated with a sticky polydimethylsiloxane coating for collecting LVPCs aerosolized off of a surface. Results are presented for the collection and detection of a pesticide simulant, dimethyl methylphosphonate sorbed onto silica gel (DMMP/SG), using direct analysis in real time-cylindrical ion trap mass spectrometry (DART-CITMS).},\n\tnumber = {20},\n\turldate = {2013-11-25},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Ewing, K. J. and Gibson, D. and Sanghera, J. and Miklos, F.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {9508--9513},\n}\n\n\n\n
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\n\n\n
\n Detection of low vapor pressure chemicals (LVPCs) such as pesticides and other toxic/hazardous materials on various environmental surfaces as well as LVPC aerosols is a significant challenge for current vapor phase detectors. We describe a novel sampling device which utilizes stainless steel screens coated with a sticky polydimethylsiloxane coating for collecting LVPCs aerosolized off of a surface. Results are presented for the collection and detection of a pesticide simulant, dimethyl methylphosphonate sorbed onto silica gel (DMMP/SG), using direct analysis in real time-cylindrical ion trap mass spectrometry (DART-CITMS).\n
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\n \n\n \n \n \n \n \n \n Development of a rapid screening method to determine primary aromatic amines in kitchen utensils using direct analysis in real time mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Paseiro-Cerrato, R.; Noonan, G. O.; and Begley, T. H.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A,null–null. November 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DevelopmentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{paseiro-cerrato_development_2013,\n\ttitle = {Development of a rapid screening method to determine primary aromatic amines in kitchen utensils using direct analysis in real time mass spectrometry ({DART}-{MS})},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2013.867366},\n\tdoi = {10.1080/19440049.2013.867366},\n\tabstract = {Primary aromatic amines (PAAs) are a group of substances with undesirable health effects, that are used in a variety of commercial products. Several recent studies, using a number of screening and confirmatory methods, have reported the migration of PAAs from some kitchen utensils into acetic acid 3\\% (w/v). Many of these methods require significant sample preparation, therefore the aim of this work was to determine if direct analysis in real time mass spectrometry (DART-MS) could be utilized as a rapid screening tool for the determination of PAAs in kitchen utensils. DART-MS results from direct analysis of the utensil have been compared with results of PAA migration by ultra high performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) method. The UPLC-MS/MS method had excellent linearity, appropriate sensitivity (LOD ≤ 1.5 µg L?1; LOQ ≤ 4.5 µg L?1), repeatability from 2.4 to 13.2\\% and acceptable recoveries. DART-MS results were in good agreement with UPLC-MS/MS data, with 100\\% of non-compliant (PAA positive) samples successfully identified by DART-MS.},\n\turldate = {2013-11-27},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Paseiro-Cerrato, R. and Noonan, G. O. and Begley, T. H.},\n\tmonth = nov,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
\n
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\n Primary aromatic amines (PAAs) are a group of substances with undesirable health effects, that are used in a variety of commercial products. Several recent studies, using a number of screening and confirmatory methods, have reported the migration of PAAs from some kitchen utensils into acetic acid 3% (w/v). Many of these methods require significant sample preparation, therefore the aim of this work was to determine if direct analysis in real time mass spectrometry (DART-MS) could be utilized as a rapid screening tool for the determination of PAAs in kitchen utensils. DART-MS results from direct analysis of the utensil have been compared with results of PAA migration by ultra high performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) method. The UPLC-MS/MS method had excellent linearity, appropriate sensitivity (LOD ≤ 1.5 µg L?1; LOQ ≤ 4.5 µg L?1), repeatability from 2.4 to 13.2% and acceptable recoveries. DART-MS results were in good agreement with UPLC-MS/MS data, with 100% of non-compliant (PAA positive) samples successfully identified by DART-MS.\n
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\n \n\n \n \n \n \n \n \n Applications of Confined DART (Direct Analysis in Real Time) Ion Source for Online in vivo Analysis of Human Breath.\n \n \n \n \n\n\n \n Li, Y.\n\n\n \n\n\n\n Analytical Methods. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_applications_2013,\n\ttitle = {Applications of {Confined} {DART} ({Direct} {Analysis} in {Real} {Time}) {Ion} {Source} for {Online} in vivo {Analysis} of {Human} {Breath}},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY41406J},\n\tdoi = {10.1039/C3AY41406J},\n\tabstract = {Human breath is composed of many volatile metabolites that can potentially provide information about a person's health status. A sensitive assay to identify these volatile organic compounds as biomarker is ideal and important for early detection of many diseases. However, the diagnosis through online breath analysis based on mass spectrometry is difficult due to the low concentration of pertinent compounds in breath. The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique, which can efficiently ionize gaseous, liquid and solid samples with high throughput. A major problem in analysis of gaseous samples is its poor detection sensitivity due to open-air sampling. Recently, the confined DART ion source (cDART) was developed, where the plasma generated by the atmospheric pressure glow discharge ionizes gas-phase molecules in a Tee-shaped flow tube instead of open air. It leads to significant increase of ionization efficiency of gaseous samples. In this study, the cDART source was modified and applied in online analysis of exhaled breath. The limit of detection of the improved cDART source was determined to be at the level of low ppb. The cDART source was used in the real-time monitoring of an oral anesthetic drug. The concentration variations of two active ingredients in exhaled breath, menthol and benzocaine, and their metabolites with time were obtained. The results show that the cDART ion source is a powerful analytical tool to provide high sensitivity and high throughput analysis for volatile organic compounds in human breath, and can find potential applications in clinical diagnosis and therapy.},\n\tjournal = {Analytical Methods},\n\tauthor = {Li, Yue},\n\tyear = {2013},\n}\n\n\n\n
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\n\n\n
\n Human breath is composed of many volatile metabolites that can potentially provide information about a person's health status. A sensitive assay to identify these volatile organic compounds as biomarker is ideal and important for early detection of many diseases. However, the diagnosis through online breath analysis based on mass spectrometry is difficult due to the low concentration of pertinent compounds in breath. The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique, which can efficiently ionize gaseous, liquid and solid samples with high throughput. A major problem in analysis of gaseous samples is its poor detection sensitivity due to open-air sampling. Recently, the confined DART ion source (cDART) was developed, where the plasma generated by the atmospheric pressure glow discharge ionizes gas-phase molecules in a Tee-shaped flow tube instead of open air. It leads to significant increase of ionization efficiency of gaseous samples. In this study, the cDART source was modified and applied in online analysis of exhaled breath. The limit of detection of the improved cDART source was determined to be at the level of low ppb. The cDART source was used in the real-time monitoring of an oral anesthetic drug. The concentration variations of two active ingredients in exhaled breath, menthol and benzocaine, and their metabolites with time were obtained. The results show that the cDART ion source is a powerful analytical tool to provide high sensitivity and high throughput analysis for volatile organic compounds in human breath, and can find potential applications in clinical diagnosis and therapy.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time ionization/quadrupole time-of-flight tandem mass spectrometry for rapid identification of iridoids glycosides and caffeoylquinic acids in Re Du Ning Injections.\n \n \n \n \n\n\n \n Li, Y.; Wang, Z.; Bi, Y.; Ding, G.; Sheng, L.; Brian, M.; Zhang, C.; Chen, J.; and Xiao, W.\n\n\n \n\n\n\n Analytical Methods. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{li_direct_2013,\n\ttitle = {Direct analysis in real time ionization/quadrupole time-of-flight tandem mass spectrometry for rapid identification of iridoids glycosides and caffeoylquinic acids in {Re} {Du} {Ning} {Injections}},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY41476K},\n\tdoi = {10.1039/C3AY41476K},\n\tabstract = {Here we report a rapid approach for qualitative analysis of iridoid glycosides and caffeoylquinic acids (CQAs) in Re Du Ning Injections using Direct Analysis in Real Time ionization source (DART) coupled to quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS). In this approach, DART/MS and DART MS/MS analysis in both negative and positive ion modes were performed to characterize two iridoid glycosides and six CQAs in reference solutions and Re Du Ning Injections. Fragmentation pathways of the two kinds of natural compounds were summarized. DART-MS tended to break down some labile bonds in di-CQAs, The di-CQAs yielded abundant fragment ions in the (-) mass scan spectra. Collision-induced dissociation techniques were used to fragment the precursor ions and the product ions. Moreover, differentiation of the isomers of CQAs was possible by using the relative peak abundance and characteristic ion species in MS/MS spectra. DART-MS was also employed to obtain a chemical fingerprint of Re Du Ning Injections for rapid qualitative analysis of this Chinese medicine preparation. DART/Q-TOF MS/MS has shown potential to be used as the real-time detection method for Re Du Ning Injections.},\n\tjournal = {Analytical Methods},\n\tauthor = {Li, Yan-Jing and Wang, Zhen-Zhong and Bi, Yu-An and Ding, Gang and Sheng, Long-Sheng and Brian, Musselman and Zhang, Chen-Feng and Chen, Jun and Xiao, Wei},\n\tyear = {2013},\n}\n\n\n\n
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\n Here we report a rapid approach for qualitative analysis of iridoid glycosides and caffeoylquinic acids (CQAs) in Re Du Ning Injections using Direct Analysis in Real Time ionization source (DART) coupled to quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS). In this approach, DART/MS and DART MS/MS analysis in both negative and positive ion modes were performed to characterize two iridoid glycosides and six CQAs in reference solutions and Re Du Ning Injections. Fragmentation pathways of the two kinds of natural compounds were summarized. DART-MS tended to break down some labile bonds in di-CQAs, The di-CQAs yielded abundant fragment ions in the (-) mass scan spectra. Collision-induced dissociation techniques were used to fragment the precursor ions and the product ions. Moreover, differentiation of the isomers of CQAs was possible by using the relative peak abundance and characteristic ion species in MS/MS spectra. DART-MS was also employed to obtain a chemical fingerprint of Re Du Ning Injections for rapid qualitative analysis of this Chinese medicine preparation. DART/Q-TOF MS/MS has shown potential to be used as the real-time detection method for Re Du Ning Injections.\n
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\n \n\n \n \n \n \n \n \n Quality by Design Study of the Direct Analysis in Real Time Mass Spectrometry Response.\n \n \n \n \n\n\n \n Wang, L.; Chen, T.; Zeng, S.; and Qu, H.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry,1–8. December 2013.\n \n\n\n\n
\n\n\n\n \n \n \"QualityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wang_quality_2013,\n\ttitle = {Quality by {Design} {Study} of the {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} {Response}},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-013-0779-6},\n\tdoi = {10.1007/s13361-013-0779-6},\n\tabstract = {A mass spectrometry method has been developed using the Quality by Design (QbD) principle. Direct analysis in real time mass spectrometry (DART-MS) was adopted to analyze a pharmaceutical preparation. A fishbone diagram for DART-MS and the Plackett-Burman design were utilized to evaluate the impact of a number of factors on the method performance. Multivariate regression and Pareto ranking analysis indicated that the temperature, determined distance, and sampler speed were statistically significant (P {\\textless} 0.05). Furthermore, the Box-Behnken design combined with response surface analysis was then employed to study the relationships between these three factors and the quality of the DART-MS analysis. The analytical design space of DART-MS was thus constructed and its robustness was validated. In this presented approach, method performance was mathematically described as a composite desirability function of the critical quality attributes (CQAs). Two terms of method validation, including analytical repeatability and method robustness, were carried out at an operating work point. Finally, the validated method was successfully applied to the pharmaceutical quality assurance in different manufacturing batches. These results revealed that the QbD concept was practical in DART-MS method development. Meanwhile, the determined quality was controlled by the analytical design space. This presented strategy provided a tutorial to the development of a robust QbD-compliant mass spectrometry method for industrial quality control.},\n\tlanguage = {English},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Wang, Lu and Chen, Teng and Zeng, Shanshan and Qu, Haibin},\n\tmonth = dec,\n\tyear = {2013},\n\tkeywords = {Analytical method development, Design space, Direct analysis in real time, Method robustness, Quality by design, mass spectrometry},\n\tpages = {1--8},\n}\n\n\n\n
\n
\n\n\n
\n A mass spectrometry method has been developed using the Quality by Design (QbD) principle. Direct analysis in real time mass spectrometry (DART-MS) was adopted to analyze a pharmaceutical preparation. A fishbone diagram for DART-MS and the Plackett-Burman design were utilized to evaluate the impact of a number of factors on the method performance. Multivariate regression and Pareto ranking analysis indicated that the temperature, determined distance, and sampler speed were statistically significant (P \\textless 0.05). Furthermore, the Box-Behnken design combined with response surface analysis was then employed to study the relationships between these three factors and the quality of the DART-MS analysis. The analytical design space of DART-MS was thus constructed and its robustness was validated. In this presented approach, method performance was mathematically described as a composite desirability function of the critical quality attributes (CQAs). Two terms of method validation, including analytical repeatability and method robustness, were carried out at an operating work point. Finally, the validated method was successfully applied to the pharmaceutical quality assurance in different manufacturing batches. These results revealed that the QbD concept was practical in DART-MS method development. Meanwhile, the determined quality was controlled by the analytical design space. This presented strategy provided a tutorial to the development of a robust QbD-compliant mass spectrometry method for industrial quality control.\n
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\n \n\n \n \n \n \n \n \n Extraction-free In situ Derivatisation of Timosaponin AIII Using Direct Analysis in Real Time TOF/MS.\n \n \n \n \n\n\n \n Kim, H. J.; Park, S. R.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Extraction-freePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kim_extraction-free_2013,\n\ttitle = {Extraction-free {In} situ {Derivatisation} of {Timosaponin} {AIII} {Using} {Direct} {Analysis} in {Real} {Time} {TOF}/{MS}},\n\tissn = {1099-1565},\n\turl = {http://dx.doi.org/10.1002/pca.2488},\n\tdoi = {10.1002/pca.2488},\n\tabstract = {Introduction\n\nDirect analysis in real time (DART) TOF/MS has been used for mass information of various non-polar phytochemicals in raw material with no sample preparation. However, low ionisation efficiency for polar compounds including glycosides limits its extensive use in the field of phytochemical analysis.\n\nObjective\n\nIn order to develop a direct analysis method for polar glycosides using in situ derivatisation, which improves ionisation efficiency of hydrophilic glycosides.\n\nMethod\n\nAnemarrhena Rhizoma was used as a model plant targeting on Timosaponin AIII utilising a Dip-It module. Permethylation was applied to the powdered raw material with tetramethylammonium hydroxide in front of a DART ion source. Also, DART TOF/MS combined with permethylation was applied to timosaponin AIII standard solution to obtain the limit of detection (LOD).\n\nResults\n\nIn situ methylation of timosaponin AIII and Anemarrhena Rhizoma raw material were successfully used to ionise the glycoside. The LOD was found to be in the range of 2.4–4.8 ng for permethylated timosaponin AIII and this level is four times higher than the range of the underivatisation analysis. Direct analysis of permethylated timosaponin from Anemarrhena Rhizoma was also successfully performed.\n\nConclusion\n\nA simple and quick derivatisation method with tetramethylammonium hydroxide was developed for the direct identification of a hydrophilic saponin from the plant tissue. Better ionisation efficiency conferred by in situ permethylation enabled ionisation of whole molecules of timosaponin AIII from the plant tissue. This simple analytical method will provide a solution to reduce tedious sample preparation steps, not only for non-polar but also hydrophilic natural products directly from the tissue. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Park, Se Ri and Jang, Young Pyo},\n\tyear = {2013},\n\tkeywords = {Anemarrhena asphodeloides Bunge, DART TOF/MS, in situ derivatisation, permethylation, timosaponin AIII},\n\tpages = {n/a--n/a},\n}\n\n\n\n
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\n Introduction Direct analysis in real time (DART) TOF/MS has been used for mass information of various non-polar phytochemicals in raw material with no sample preparation. However, low ionisation efficiency for polar compounds including glycosides limits its extensive use in the field of phytochemical analysis. Objective In order to develop a direct analysis method for polar glycosides using in situ derivatisation, which improves ionisation efficiency of hydrophilic glycosides. Method Anemarrhena Rhizoma was used as a model plant targeting on Timosaponin AIII utilising a Dip-It module. Permethylation was applied to the powdered raw material with tetramethylammonium hydroxide in front of a DART ion source. Also, DART TOF/MS combined with permethylation was applied to timosaponin AIII standard solution to obtain the limit of detection (LOD). Results In situ methylation of timosaponin AIII and Anemarrhena Rhizoma raw material were successfully used to ionise the glycoside. The LOD was found to be in the range of 2.4–4.8 ng for permethylated timosaponin AIII and this level is four times higher than the range of the underivatisation analysis. Direct analysis of permethylated timosaponin from Anemarrhena Rhizoma was also successfully performed. Conclusion A simple and quick derivatisation method with tetramethylammonium hydroxide was developed for the direct identification of a hydrophilic saponin from the plant tissue. Better ionisation efficiency conferred by in situ permethylation enabled ionisation of whole molecules of timosaponin AIII from the plant tissue. This simple analytical method will provide a solution to reduce tedious sample preparation steps, not only for non-polar but also hydrophilic natural products directly from the tissue. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n DART-MS as a Preliminary Screening Method for “Herbal Incense”: Chemical Analysis of Synthetic Cannabinoids.\n \n \n \n \n\n\n \n Lesiak, A. D.; Musah, R. A.; Domin, M. A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Journal of Forensic Sciences,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DART-MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{lesiak_dart-ms_2013,\n\ttitle = {{DART}-{MS} as a {Preliminary} {Screening} {Method} for “{Herbal} {Incense}”: {Chemical} {Analysis} of {Synthetic} {Cannabinoids}},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12354},\n\tdoi = {10.1111/1556-4029.12354},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) served as a method for rapid high-throughput screening of six commercially available “Spice” products, detecting various combinations of five synthetic cannabinoids. Direct analysis in real time is an ambient ionization process that, along with high mass accuracy time-of-flight (TOF)-MS to 0.0001 Da, was employed to establish the presence of cannabinoids. Mass spectra were acquired by simply suspending a small portion of sample between the ion source and the mass spectrometer inlet. The ability to test minute amounts of sample is a major advantage when very limited amounts of evidentiary material are available. In addition, reports are widespread regarding the testing backlogs that now exist because of the large influx of designer drugs. This method circumvents time-consuming sample extraction, derivatization, chromatographic, and other sample preparative steps required for analysis by more conventional mass spectrometric methods. Accordingly, the synthetic cannabinoids AM-2201, JWH-122, JWH-203, JWH-210, and RCS-4 were identified in commercially available herbal Spice products, singly and in tandem, at concentrations within the range of 4–141 mg/g of material. Direct analysis in real time mass spectrometry decreases the time necessary to triage analytical evidence, and therefore, it has the potential to contribute to backlog reduction and more timely criminal prosecution.},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Lesiak, Ashton D. and Musah, Rabi A. and Domin, Marek A. and Shepard, Jason R. E.},\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, cannabinoids, designer drugs, forensic science, mass spectrometry},\n\tpages = {n/a--n/a},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) served as a method for rapid high-throughput screening of six commercially available “Spice” products, detecting various combinations of five synthetic cannabinoids. Direct analysis in real time is an ambient ionization process that, along with high mass accuracy time-of-flight (TOF)-MS to 0.0001 Da, was employed to establish the presence of cannabinoids. Mass spectra were acquired by simply suspending a small portion of sample between the ion source and the mass spectrometer inlet. The ability to test minute amounts of sample is a major advantage when very limited amounts of evidentiary material are available. In addition, reports are widespread regarding the testing backlogs that now exist because of the large influx of designer drugs. This method circumvents time-consuming sample extraction, derivatization, chromatographic, and other sample preparative steps required for analysis by more conventional mass spectrometric methods. Accordingly, the synthetic cannabinoids AM-2201, JWH-122, JWH-203, JWH-210, and RCS-4 were identified in commercially available herbal Spice products, singly and in tandem, at concentrations within the range of 4–141 mg/g of material. Direct analysis in real time mass spectrometry decreases the time necessary to triage analytical evidence, and therefore, it has the potential to contribute to backlog reduction and more timely criminal prosecution.\n
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\n \n\n \n \n \n \n \n \n Polydimethylsiloxane-based wide-range mass calibration for direct analysis in real-time mass spectrometry.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. August 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Polydimethylsiloxane-basedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{gross_polydimethylsiloxane-based_2013,\n\ttitle = {Polydimethylsiloxane-based wide-range mass calibration for direct analysis in real-time mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-7287-1},\n\tdoi = {10.1007/s00216-013-7287-1},\n\tabstract = {Direct analysis in real-time mass spectrometry (DART-MS) is normally applied for small-molecule analysis up to about m/z 1,000. Here, for the analysis of polydimethylsiloxanes, high-mass capabilities expanding beyond m/z 3,000 are demonstrated. In addition, polydimethylsiloxanes provide an ideal mass calibration standard for positive-ion DART-MS. A mass reference list has been compiled to cover ions from m/z 200 up to m/z 2,600. Species with more than 20 silicon atoms exhibit increasingly broader isotopic patterns with decreasing abundances of the monoisotopic ions. The use of the first isotopic peaks for analyte ions above m/z 2,000 serves as a work-around and ensures easy and reproducible recognition of the reference peaks by the instrument data system. Here, the positive-ion DART mass spectra of polydimethylsiloxanes and the corresponding experimental procedures are described, and the mass reference list is provided.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = aug,\n\tyear = {2013},\n\tkeywords = {Accurate mass, Direct analysis in real time (DART), Mass calibration, Polymer analysis, Polysiloxanes, mass spectrometry},\n\tpages = {1--6},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real-time mass spectrometry (DART-MS) is normally applied for small-molecule analysis up to about m/z 1,000. Here, for the analysis of polydimethylsiloxanes, high-mass capabilities expanding beyond m/z 3,000 are demonstrated. In addition, polydimethylsiloxanes provide an ideal mass calibration standard for positive-ion DART-MS. A mass reference list has been compiled to cover ions from m/z 200 up to m/z 2,600. Species with more than 20 silicon atoms exhibit increasingly broader isotopic patterns with decreasing abundances of the monoisotopic ions. The use of the first isotopic peaks for analyte ions above m/z 2,000 serves as a work-around and ensures easy and reproducible recognition of the reference peaks by the instrument data system. Here, the positive-ion DART mass spectra of polydimethylsiloxanes and the corresponding experimental procedures are described, and the mass reference list is provided.\n
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\n \n\n \n \n \n \n \n \n Capabilities and limitations of direct analysis in real time orbitrap mass spectrometry and tandem mass spectrometry for the analysis of synthetic and natural polymers.\n \n \n \n \n\n\n \n Bridoux, M. C.; and Machuron-Mandard, X.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(18): 2057–2070. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CapabilitiesPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bridoux_capabilities_2013,\n\ttitle = {Capabilities and limitations of direct analysis in real time orbitrap mass spectrometry and tandem mass spectrometry for the analysis of synthetic and natural polymers},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6664},\n\tdoi = {10.1002/rcm.6664},\n\tabstract = {RATIONALE\n\nDespite the widespread use of direct analysis in real time mass spectrometry (DART-MS), its capabilities in terms of accessible mass range and the types of polymers that can be analysed are not well known. The goal of this work was to evaluate the capabilities and limitations of this ionization technique combined with orbitrap mass spectrometry and tandem mass spectrometry, for the characterization (structural and polydispersity metrics) of various synthetic and natural polymers.\n\nMETHODS\n\nThe capabilities and limitations of DART-MS (and -MS2), using an orbitrap mass spectrometer, for polymer analysis were evaluated using various industrial synthetic polymers and biopolymers. Stainless steel mesh screens secured on a movable rail were used as the sampling surface, onto which 5 μL of various polymers dissolved in tetrahydrofuran were added. Assignment of spectral features and calculation of molecular weight and polydispersity metrics were performed using Polymerix™ software and the results were compared with those obtained by gel-permeation chromatography (GPC).\n\nRESULTS\n\nProtonated oligomers and ammonium adducts were instantaneously detected as the major ionisation products in positive ion mode. Only perfluoropolyethers (PFPEs) were ionised in negative mode and detected as [M]–. ions. Only singly charged molecular species were observed for all oligomers under study, allowing for a rapid determination of the molecular weight and polydispersity metrics of polymers. At elevated DART gas temperatures (400–500°C) the molecular weight and polydispersity metrics compared fairly well with those obtained by GPC, with polymers whose masses ranged from 200 g.mol–1 to 4000 g.mol–1.\n\nCONCLUSIONS\n\nDART-MS allowed the direct and rapid analysis (mass spectra and tandem mass spectra of all the polymers were acquired in seconds) based on the exact masses of their [M+H]+ and [M+NH4]+ ions (in the positive mode) or [M]–. ions (for polymers having a high sensitivity toward electron-capture ionisation such as PFPEs), as well as the exact masses of their product ions, for both synthetic and natural polymers under ambient conditions without any sample pre-treatment. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {18},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Bridoux, Maxime C. and Machuron-Mandard, Xavier},\n\tyear = {2013},\n\tpages = {2057--2070},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Despite the widespread use of direct analysis in real time mass spectrometry (DART-MS), its capabilities in terms of accessible mass range and the types of polymers that can be analysed are not well known. The goal of this work was to evaluate the capabilities and limitations of this ionization technique combined with orbitrap mass spectrometry and tandem mass spectrometry, for the characterization (structural and polydispersity metrics) of various synthetic and natural polymers. METHODS The capabilities and limitations of DART-MS (and -MS2), using an orbitrap mass spectrometer, for polymer analysis were evaluated using various industrial synthetic polymers and biopolymers. Stainless steel mesh screens secured on a movable rail were used as the sampling surface, onto which 5 μL of various polymers dissolved in tetrahydrofuran were added. Assignment of spectral features and calculation of molecular weight and polydispersity metrics were performed using Polymerix™ software and the results were compared with those obtained by gel-permeation chromatography (GPC). RESULTS Protonated oligomers and ammonium adducts were instantaneously detected as the major ionisation products in positive ion mode. Only perfluoropolyethers (PFPEs) were ionised in negative mode and detected as [M]–. ions. Only singly charged molecular species were observed for all oligomers under study, allowing for a rapid determination of the molecular weight and polydispersity metrics of polymers. At elevated DART gas temperatures (400–500°C) the molecular weight and polydispersity metrics compared fairly well with those obtained by GPC, with polymers whose masses ranged from 200 g.mol–1 to 4000 g.mol–1. CONCLUSIONS DART-MS allowed the direct and rapid analysis (mass spectra and tandem mass spectra of all the polymers were acquired in seconds) based on the exact masses of their [M+H]+ and [M+NH4]+ ions (in the positive mode) or [M]–. ions (for polymers having a high sensitivity toward electron-capture ionisation such as PFPEs), as well as the exact masses of their product ions, for both synthetic and natural polymers under ambient conditions without any sample pre-treatment. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Authentication of milk and milk-based foods by direct analysis in real time ionization–high resolution mass spectrometry (DART–HRMS) technique: a critical assessment.\n \n \n \n \n\n\n \n Hrbek, V.; Vaclavik, L.; Elich, O.; and Hajslova, J.\n\n\n \n\n\n\n Food Control, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AuthenticationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{hrbek_authentication_2013,\n\ttitle = {Authentication of milk and milk-based foods by direct analysis in real time ionization–high resolution mass spectrometry ({DART}–{HRMS}) technique: a critical assessment},\n\tissn = {0956-7135},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0956713513003952},\n\tdoi = {10.1016/j.foodcont.2013.08.003},\n\tabstract = {Abstract\nThe potential of direct analysis in real time (DART) ambient ionization technique coupled with high resolution mass spectrometry (HRMS) in authentication of milk and dairy products was critically assessed. In particular case, DART–HRMS was used for several scenarios: (i) discrimination among milks obtained from various farm animal species (cow, goat, and sheep), (ii) discrimination between cows´ milk produced in conventional and organic farming, and, (iii) detection of vegetable oil added to a milk-based product (soft cheese). For this purpose, a rapid profiling procedure based on examination of milk/cheese toluene extracts, was implemented. The obtained triacylglycerol (TAG) profiles (mass spectra) were processed with principal component analysis (PCA) and linear discriminant analysis (LDA). Based on LDA model, reliable differentiation of cows´ milk samples and goats’/sheep’s milk was possible. The DART–HRMS procedure also allowed distinguishing milk mixtures prepared at adulteration level of 50\\% (v/v). The capability to recognize milk from conventional and organic farming was rather low, poor classification rates of the LDA model were obtained. On the other hand, reliable detection of the presence of vegetable oils (rapeseed, sunflower, and soybean), added to soft cheese at amount as low as 1\\% (w/w), was possible. Additionally, the quality of added oil in terms of degree of its oxidation could be documented.},\n\tnumber = {0},\n\tjournal = {Food Control},\n\tauthor = {Hrbek, Vojtech and Vaclavik, Lukas and Elich, Ondrej and Hajslova, Jana},\n\tyear = {2013},\n\tkeywords = {Authenticity, Dairy products, Direct analysis in real time, Milk, mass spectrometry},\n}\n\n\n\n
\n
\n\n\n
\n Abstract The potential of direct analysis in real time (DART) ambient ionization technique coupled with high resolution mass spectrometry (HRMS) in authentication of milk and dairy products was critically assessed. In particular case, DART–HRMS was used for several scenarios: (i) discrimination among milks obtained from various farm animal species (cow, goat, and sheep), (ii) discrimination between cows´ milk produced in conventional and organic farming, and, (iii) detection of vegetable oil added to a milk-based product (soft cheese). For this purpose, a rapid profiling procedure based on examination of milk/cheese toluene extracts, was implemented. The obtained triacylglycerol (TAG) profiles (mass spectra) were processed with principal component analysis (PCA) and linear discriminant analysis (LDA). Based on LDA model, reliable differentiation of cows´ milk samples and goats’/sheep’s milk was possible. The DART–HRMS procedure also allowed distinguishing milk mixtures prepared at adulteration level of 50% (v/v). The capability to recognize milk from conventional and organic farming was rather low, poor classification rates of the LDA model were obtained. On the other hand, reliable detection of the presence of vegetable oils (rapeseed, sunflower, and soybean), added to soft cheese at amount as low as 1% (w/w), was possible. Additionally, the quality of added oil in terms of degree of its oxidation could be documented.\n
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\n \n\n \n \n \n \n \n What Is the Opposite of Pandora’s Box? Direct Analysis, Ambient Ionization, and a New Generation of Atmospheric Pressure Ion Sources.\n \n \n \n\n\n \n Cody, R. B.\n\n\n \n\n\n\n Mass Spectrometry, 2(Special_Issue): S0007–S0007. 2013.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cody_what_2013,\n\ttitle = {What {Is} the {Opposite} of {Pandora}’s {Box}? {Direct} {Analysis}, {Ambient} {Ionization}, and a {New} {Generation} of {Atmospheric} {Pressure} {Ion} {Sources}},\n\tvolume = {2},\n\tabstract = {The introduction of DART and DESI sources approximately seven years ago led to the development of a new series of atmospheric pressure ion sources referred to as “ambient ionization” sources. These fall into two major categories: spray techniques like DESI or plasma techniques like DART. The selectivity of “direct ionization,” meaning analysis without chromatography and with little or no sample preparation, depends on the mass spectrometer selectivity. Although high resolution and tandem mass spectrometry are valuable tools, rapid and simple sample preparation methods can improve the utility of ambient ionization methods. The concept of ambient ionization has led to the realization that there are many more ways to form ions than might be expected. An interesting example is the use of a flint-and-steel spark source to generate ions from compounds such as phenolphthalein and Gramicidin S.},\n\tnumber = {Special\\_Issue},\n\tjournal = {Mass Spectrometry},\n\tauthor = {Cody, Robert B.},\n\tyear = {2013},\n\tpages = {S0007--S0007},\n}\n\n\n\n
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\n\n\n
\n The introduction of DART and DESI sources approximately seven years ago led to the development of a new series of atmospheric pressure ion sources referred to as “ambient ionization” sources. These fall into two major categories: spray techniques like DESI or plasma techniques like DART. The selectivity of “direct ionization,” meaning analysis without chromatography and with little or no sample preparation, depends on the mass spectrometer selectivity. Although high resolution and tandem mass spectrometry are valuable tools, rapid and simple sample preparation methods can improve the utility of ambient ionization methods. The concept of ambient ionization has led to the realization that there are many more ways to form ions than might be expected. An interesting example is the use of a flint-and-steel spark source to generate ions from compounds such as phenolphthalein and Gramicidin S.\n
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\n \n\n \n \n \n \n \n \n DART-MS for rapid, preliminary screening of urine for DMAA.\n \n \n \n \n\n\n \n Lesiak, A. D.; Adams, K. J.; Domin, M. A.; Henck, C.; and Shepard, J. R. E.\n\n\n \n\n\n\n Drug Testing and Analysis,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DART-MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{lesiak_dart-ms_2013,\n\ttitle = {{DART}-{MS} for rapid, preliminary screening of urine for {DMAA}},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.1540},\n\tdoi = {10.1002/dta.1540},\n\tabstract = {Dimethylamylamine (DMAA) is a sympathomimetic amine found in weight-loss/workout supplements or used as an appetite suppressant. DMAA is a stimulant that is banned by the World Anti-Doping Agency (WADA). Adverse health effects as well as fatalities have been implicated with its use. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization method that was employed to rapidly identify the presence of DMAA in various samples without any extraction or preparations whatsoever. DMAA was first identified in supplements, sampled directly in their solid forms. Furthermore, DMAA was detected directly in urine over 48 h as a means of indicating recent abuse of the substance. DART-MS analysis is instantaneous, and coupled with the high mass accuracy associated with the time-of-flight mass analyzer, results in unequivocal identification of the presence of DMAA. These features demonstrate DART-MS as an attractive potential alternative screening method for the presence of drugs and medications or for toxicological investigations. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Lesiak, Ashton D. and Adams, Kendra J. and Domin, Marek A. and Henck, Colin and Shepard, Jason R. E.},\n\tyear = {2013},\n\tkeywords = {DART-MS, DMAA, Direct analysis in real time mass spectrometry, collision induced dissociation, natural supplements, urine testing},\n\tpages = {n/a--n/a},\n}\n\n\n\n
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\n Dimethylamylamine (DMAA) is a sympathomimetic amine found in weight-loss/workout supplements or used as an appetite suppressant. DMAA is a stimulant that is banned by the World Anti-Doping Agency (WADA). Adverse health effects as well as fatalities have been implicated with its use. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization method that was employed to rapidly identify the presence of DMAA in various samples without any extraction or preparations whatsoever. DMAA was first identified in supplements, sampled directly in their solid forms. Furthermore, DMAA was detected directly in urine over 48 h as a means of indicating recent abuse of the substance. DART-MS analysis is instantaneous, and coupled with the high mass accuracy associated with the time-of-flight mass analyzer, results in unequivocal identification of the presence of DMAA. These features demonstrate DART-MS as an attractive potential alternative screening method for the presence of drugs and medications or for toxicological investigations. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Screening for trace explosives by AccuTOF™-DART®: An in-depth validation study.\n \n \n \n \n\n\n \n Sisco, E.; Dake, J.; and Bridge, C.\n\n\n \n\n\n\n Forensic Science International, 232(1–3): 160–168. October 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ScreeningPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
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@article{sisco_screening_2013,\n\ttitle = {Screening for trace explosives by {AccuTOF}™-{DART}®: {An} in-depth validation study},\n\tvolume = {232},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813003551},\n\tdoi = {10.1016/j.forsciint.2013.07.006},\n\tabstract = {Abstract\nAmbient ionization mass spectrometry is finding increasing utility as a rapid analysis technique in a number of fields. In forensic science specifically, analysis of many types of samples, including drugs, explosives, inks, bank dye, and lotions, has been shown to be possible using these techniques [1]. This paper focuses on one type of ambient ionization mass spectrometry, Direct Analysis in Real Time Mass Spectrometry (DART-MS or DART), and its viability as a screening tool for trace explosives analysis. In order to assess viability, a validation study was completed which focused on the analysis of trace amounts of nitro and peroxide based explosives. Topics which were studied, and are discussed, include method optimization, reproducibility, sensitivity, development of a search library, discrimination of mixtures, and blind sampling. Advantages and disadvantages of this technique over other similar screening techniques are also discussed.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Sisco, Edward and Dake, Jeffrey and Bridge, Candice},\n\tmonth = oct,\n\tyear = {2013},\n\tkeywords = {Ambient ionization mass spectrometry, Gas chromatography mass spectrometry, Trace detection},\n\tpages = {160--168},\n}\n\n\n\n
\n
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\n Abstract Ambient ionization mass spectrometry is finding increasing utility as a rapid analysis technique in a number of fields. In forensic science specifically, analysis of many types of samples, including drugs, explosives, inks, bank dye, and lotions, has been shown to be possible using these techniques [1]. This paper focuses on one type of ambient ionization mass spectrometry, Direct Analysis in Real Time Mass Spectrometry (DART-MS or DART), and its viability as a screening tool for trace explosives analysis. In order to assess viability, a validation study was completed which focused on the analysis of trace amounts of nitro and peroxide based explosives. Topics which were studied, and are discussed, include method optimization, reproducibility, sensitivity, development of a search library, discrimination of mixtures, and blind sampling. Advantages and disadvantages of this technique over other similar screening techniques are also discussed.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time—a critical review on DART-MS.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–18. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{gross_direct_2013,\n\ttitle = {Direct analysis in real time—a critical review on {DART}-{MS}},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-7316-0},\n\tdoi = {10.1007/s00216-013-7316-0},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) has become an established technique for rapid mass spectral analysis of a large variety of samples. DART-MS is capable of analyzing the sample at atmospheric pressure, essentially in the open laboratory environment. DART-MS can be applied to compounds that have been deposited or adsorbed on to surfaces or that are being desorbed therefrom into the atmosphere. This makes DART-MS suitable and well-known for analysis of ingredients of plant materials, pesticide monitoring on vegetables, forensic and safety applications such as screening for traces of explosives, warfare agents, or illicit drugs on luggage, clothes, or bank notes, etc. DART can also be used for analysis of either solid or liquid bulk materials, as may be required in quality control, or to quickly investigate the identity of a compound from chemical synthesis. Even living organisms can be subjected to DART-MS. Driven by different needs in analytical practice, the combination of the DART ionization source and interface can be configured in multiple geometries and with various accessories to adapt the setup as required. Analysis by DART-MS relies on some sort of gas-phase ionization mechanism. In DART, initial generation of the ionizing species is by use of a corona discharge in a pure helium atmosphere which delivers excited helium atoms that, upon their release into the atmosphere, will initiate a cascade of gas-phase reactions. In the end, this results in reagent ions created from atmospheric water or (solvent) vapor in the vicinity of the surface subject to analysis where they effect a chemical ionization process. DART ionization processes may generate positive or negative ions, predominantly even-electron species, but odd-electron species do also occur. The prevailing process of analyte ion formation from a given sample is highly dependent on analyte properties.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Ambient mass spectrometry, DART, Direct analysis in real time, Ionization, Rapid screening},\n\tpages = {1--18},\n}\n\n\n\n
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\n Direct analysis in real time mass spectrometry (DART-MS) has become an established technique for rapid mass spectral analysis of a large variety of samples. DART-MS is capable of analyzing the sample at atmospheric pressure, essentially in the open laboratory environment. DART-MS can be applied to compounds that have been deposited or adsorbed on to surfaces or that are being desorbed therefrom into the atmosphere. This makes DART-MS suitable and well-known for analysis of ingredients of plant materials, pesticide monitoring on vegetables, forensic and safety applications such as screening for traces of explosives, warfare agents, or illicit drugs on luggage, clothes, or bank notes, etc. DART can also be used for analysis of either solid or liquid bulk materials, as may be required in quality control, or to quickly investigate the identity of a compound from chemical synthesis. Even living organisms can be subjected to DART-MS. Driven by different needs in analytical practice, the combination of the DART ionization source and interface can be configured in multiple geometries and with various accessories to adapt the setup as required. Analysis by DART-MS relies on some sort of gas-phase ionization mechanism. In DART, initial generation of the ionizing species is by use of a corona discharge in a pure helium atmosphere which delivers excited helium atoms that, upon their release into the atmosphere, will initiate a cascade of gas-phase reactions. In the end, this results in reagent ions created from atmospheric water or (solvent) vapor in the vicinity of the surface subject to analysis where they effect a chemical ionization process. DART ionization processes may generate positive or negative ions, predominantly even-electron species, but odd-electron species do also occur. The prevailing process of analyte ion formation from a given sample is highly dependent on analyte properties.\n
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\n \n\n \n \n \n \n \n \n DIRECT ANALYSIS IN REAL TIME / TIME OF FLIGHT MASS SPECTROMETRY: INVESTIGATIONS ON PARAMETERS FOR THE COUPLING WITH LIQUID PHASE SAMPLE INTRODUCTION TECHNIQUES.\n \n \n \n \n\n\n \n Hintersteiner, I.; Hertsens, R.; and Klampfl, C. W.\n\n\n \n\n\n\n Journal of Liquid Chromatography & Related Technologies,null–null. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DIRECTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{hintersteiner_direct_2013,\n\ttitle = {{DIRECT} {ANALYSIS} {IN} {REAL} {TIME} / {TIME} {OF} {FLIGHT} {MASS} {SPECTROMETRY}: {INVESTIGATIONS} {ON} {PARAMETERS} {FOR} {THE} {COUPLING} {WITH} {LIQUID} {PHASE} {SAMPLE} {INTRODUCTION} {TECHNIQUES}},\n\tissn = {1082-6076},\n\turl = {http://dx.doi.org/10.1080/10826076.2013.825846},\n\tdoi = {10.1080/10826076.2013.825846},\n\tabstract = {Studies for the evaluation of a lab made liquid jet interface designed for the coupling of Direct Analysis in Real Time (DART) time-of-flight mass spectrometry (TOF-MS) with liquid phase sample introduction systems such as flow injection analysis (FIA) or high performance liquid chromatography (HPLC) have been performed. Thereby a substantial influence of parameters like surface/volume ratio (determined by the inner diameter of the capillary employed) of the liquid jet as well as the composition of the eluent (with respect to the concentration of electrolyte and organic solvent) on signal intensities could be detected. Comparison of the developed interface with other more common interface types (based on electrospray ionization, atmospheric pressure chemical ionization and atmospheric pressure photoionization) was carried out on the example of a test mixture containing four parabens spiked into biological fluid samples. DART ionization proved superior when employed in combination with FIA as it was less affected by matrix effects resulting in ionization suppression. On the other hand if at least partial separation of the matrix/analytes was performed by using short chromatographic columns, the other ionization techniques turned out to be the better choice primarily due to their increased sensitivity.},\n\turldate = {2013-09-19},\n\tjournal = {Journal of Liquid Chromatography \\& Related Technologies},\n\tauthor = {Hintersteiner, Ingrid and Hertsens, Robert and Klampfl, Christian W.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
\n
\n\n\n
\n Studies for the evaluation of a lab made liquid jet interface designed for the coupling of Direct Analysis in Real Time (DART) time-of-flight mass spectrometry (TOF-MS) with liquid phase sample introduction systems such as flow injection analysis (FIA) or high performance liquid chromatography (HPLC) have been performed. Thereby a substantial influence of parameters like surface/volume ratio (determined by the inner diameter of the capillary employed) of the liquid jet as well as the composition of the eluent (with respect to the concentration of electrolyte and organic solvent) on signal intensities could be detected. Comparison of the developed interface with other more common interface types (based on electrospray ionization, atmospheric pressure chemical ionization and atmospheric pressure photoionization) was carried out on the example of a test mixture containing four parabens spiked into biological fluid samples. DART ionization proved superior when employed in combination with FIA as it was less affected by matrix effects resulting in ionization suppression. On the other hand if at least partial separation of the matrix/analytes was performed by using short chromatographic columns, the other ionization techniques turned out to be the better choice primarily due to their increased sensitivity.\n
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\n \n\n \n \n \n \n \n \n Identification of saccharides by using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Wang, Y.; Liu, L.; Ma, L.; and Liu, S.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wang_identification_2013,\n\ttitle = {Identification of saccharides by using direct analysis in real time ({DART}) mass spectrometry},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380613003461},\n\tdoi = {10.1016/j.ijms.2013.09.008},\n\tabstract = {Abstract\nDirect analysis in real time (DART) coupled with quadrupole time-of-flight mass spectrometry (Q-TOF-MS) was applied to investigate the different types of saccharides including ginseng oligosaccharide extract with minimal sample pretreatment. Helium gas temperature into the DART ion source was adjusted to find optimal ionization temperature for glucose in increments of 50oC from 50oC to 450oC. It was observed that gas temperature had a significant effect on signal intensity in DART Mass Spectra. The temperature for the glucose ionization should be at least 150oC, and the signal intensity reached optimal ionization state at 250oC. With the increase of a sugar chain, a higher gas temperature was needed for saccharide ionization. Interestingly, sugar cluster formation can be observed at 450oC for disaccharides and trisaccharides. It is found that the [M +NH4]+ ions of trisaccharide and ginseng oligosaccharides can be rarely produced without any derivatization even at 450oC. All the samples except five carbon monosaccharides can generate the m/z 198 ion, so it is difficult to determine whether a m/z 198 ion is the [M + NH4]+ ion of glucose or merely a sample fragment ion most likely an ammoniated monosaccharide fragment.},\n\tnumber = {0},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Wang, Yang and Liu, Li and Ma, Li and Liu, Shuying},\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Sacchrides, gingseng extract},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Direct analysis in real time (DART) coupled with quadrupole time-of-flight mass spectrometry (Q-TOF-MS) was applied to investigate the different types of saccharides including ginseng oligosaccharide extract with minimal sample pretreatment. Helium gas temperature into the DART ion source was adjusted to find optimal ionization temperature for glucose in increments of 50oC from 50oC to 450oC. It was observed that gas temperature had a significant effect on signal intensity in DART Mass Spectra. The temperature for the glucose ionization should be at least 150oC, and the signal intensity reached optimal ionization state at 250oC. With the increase of a sugar chain, a higher gas temperature was needed for saccharide ionization. Interestingly, sugar cluster formation can be observed at 450oC for disaccharides and trisaccharides. It is found that the [M +NH4]+ ions of trisaccharide and ginseng oligosaccharides can be rarely produced without any derivatization even at 450oC. All the samples except five carbon monosaccharides can generate the m/z 198 ion, so it is difficult to determine whether a m/z 198 ion is the [M + NH4]+ ion of glucose or merely a sample fragment ion most likely an ammoniated monosaccharide fragment.\n
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\n \n\n \n \n \n \n \n \n Evaluation of the Oxidation of Rice Husks with Sodium Hypochlorite Using Gas Chromatography-Mass Spectrometry and Direct Analysis in Real Time-Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, S.; Fan, X.; Zheng, A.; Lu, Y.; Wei, X.; Zhao, Y.; Wang, R.; Dou, Y.; Wang, Y.; Wang, C.; Zhang, F.; Shen, Y.; Li, C.; Liu, Z.; and Liu, D.\n\n\n \n\n\n\n Analytical Letters,null–null. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_evaluation_2013,\n\ttitle = {Evaluation of the {Oxidation} of {Rice} {Husks} with {Sodium} {Hypochlorite} {Using} {Gas} {Chromatography}-{Mass} {Spectrometry} and {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry}},\n\tissn = {0003-2719},\n\turl = {http://dx.doi.org/10.1080/00032719.2013.831425},\n\tdoi = {10.1080/00032719.2013.831425},\n\tabstract = {Rice husk powder was oxidized in aqueous sodium hypochlorite solution under mild conditions with different reaction time. Fourier transform infrared spectroscopy, gas chromatography-mass spectrometry (GC-MS), and direct analysis in real time-mass spectrometry (DART-MS) were used to analyze the oxidation products. Results showed that oxidation was a feasible way to depolymerize the macromolecules in the biomass and convert hydroxyl groups to carboxyl groups. In total, 113 organic compounds in oxidation products with molecular mass less than 500 Da were identified using GC-MS. As an ambient ionization technique, DART-MS was applied to the determination of biomass derivatives and revealed mass distribution and molecular structure information for the rice husk oxidation products.},\n\turldate = {2013-09-19},\n\tjournal = {Analytical Letters},\n\tauthor = {Wang, Shou-Ze and Fan, Xing and Zheng, Ai-Li and Lu, Yao and Wei, Xian-Yong and Zhao, Yun-Peng and Wang, Rui-Yu and Dou, You-Quan and Wang, Ying-Hua and Wang, Chu-Fan and Zhang, Fan and Shen, Yong and Li, Chun-Yan and Liu, Zheng and Liu, De-Ying},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
\n
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\n Rice husk powder was oxidized in aqueous sodium hypochlorite solution under mild conditions with different reaction time. Fourier transform infrared spectroscopy, gas chromatography-mass spectrometry (GC-MS), and direct analysis in real time-mass spectrometry (DART-MS) were used to analyze the oxidation products. Results showed that oxidation was a feasible way to depolymerize the macromolecules in the biomass and convert hydroxyl groups to carboxyl groups. In total, 113 organic compounds in oxidation products with molecular mass less than 500 Da were identified using GC-MS. As an ambient ionization technique, DART-MS was applied to the determination of biomass derivatives and revealed mass distribution and molecular structure information for the rice husk oxidation products.\n
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\n \n\n \n \n \n \n \n \n Rapid monitoring of heat-accelerated reactions in vegetable oils using direct analysis in real time ionization coupled with high resolution mass spectrometry.\n \n \n \n \n\n\n \n Vaclavik, L.; Belkova, B.; Reblova, Z.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Food Chemistry, 138(4): 2312–2320. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{vaclavik_rapid_2013,\n\ttitle = {Rapid monitoring of heat-accelerated reactions in vegetable oils using direct analysis in real time ionization coupled with high resolution mass spectrometry},\n\tvolume = {138},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814612019085},\n\tdoi = {10.1016/j.foodchem.2012.12.019},\n\tabstract = {Transmission-mode direct analysis in real time ionization coupled with high resolution mass spectrometry (TM-DART–HRMS) was used to monitor chemical changes in various vegetable oils (olive, rapeseed, soybean and sunflower oil) during their thermally-induced oxidation. This novel instrumental approach enabled rapid fingerprinting of examined samples and detection of numerous sample components, such as triacylglycerols (TAGs), phytosterols, free fatty acids (FFA), and their respective oxidation products. Mass spectra obtained from DART were processed with the use of principal component analysis (PCA) in order to assess the compositional differences between heated and non-heated samples. Good correlation was observed between the normalized intensities of the pre-selected ion corresponding to mono-oxidized TAG and ‘classic’ criterion represented by the levels of TAG polymers determined by high performance-size exclusion chromatography with refractometric detection (HP-SEC–RID).},\n\tnumber = {4},\n\tjournal = {Food Chemistry},\n\tauthor = {Vaclavik, Lukas and Belkova, Beverly and Reblova, Zuzana and Riddellova, Katerina and Hajslova, Jana},\n\tmonth = jun,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Heating, Oxidation, Vegetable oils, mass spectrometry},\n\tpages = {2312--2320},\n}\n\n\n\n
\n
\n\n\n
\n Transmission-mode direct analysis in real time ionization coupled with high resolution mass spectrometry (TM-DART–HRMS) was used to monitor chemical changes in various vegetable oils (olive, rapeseed, soybean and sunflower oil) during their thermally-induced oxidation. This novel instrumental approach enabled rapid fingerprinting of examined samples and detection of numerous sample components, such as triacylglycerols (TAGs), phytosterols, free fatty acids (FFA), and their respective oxidation products. Mass spectra obtained from DART were processed with the use of principal component analysis (PCA) in order to assess the compositional differences between heated and non-heated samples. Good correlation was observed between the normalized intensities of the pre-selected ion corresponding to mono-oxidized TAG and ‘classic’ criterion represented by the levels of TAG polymers determined by high performance-size exclusion chromatography with refractometric detection (HP-SEC–RID).\n
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\n \n\n \n \n \n \n \n \n Characterization of Blood in an Encrustation on an African Mask: Spectroscopic and Direct Analysis in Real Time Mass Spectrometric Identification of Haem.\n \n \n \n \n\n\n \n Fraser, D.; Selvius DeRoo, C.; Cody, R. B; and Armitage, R. A.\n\n\n \n\n\n\n Analyst. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fraser_characterization_2013,\n\ttitle = {Characterization of {Blood} in an {Encrustation} on an {African} {Mask}: {Spectroscopic} and {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometric} {Identification} of {Haem}},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00633F},\n\tdoi = {10.1039/C3AN00633F},\n\tabstract = {Prior to exhibiting an African Komo mask from the collections of the Detroit Institute of Arts, a multianalytical approach was undertaken to characterize the flaking encrusted coating on the surface of the mask. Preliminary XRF and FTIR examination of the coating on the Komo mask revealed the presence of significant quantities of iron and protein, possibly indicating the presence of blood. Raman spectroscopy showed evidence for the porphyrin structure of haem as well. To confirm that blood was indeed present in the coating, we developed a novel method for identifying the haem moiety from blood by use of in-situ methylation and direct analysis in real time mass spectrometry (DART-MS). Following a denaturing step with formic acid, the resulting solution was combined with an excess of phenyltrimethylammonium hydroxide to promote desorption, applied to a melting point tube, and placed into the Direct Analysis in Real Time ion source gas stream at 550 [degree]C. The permethylated haem ion (m/z 644.208) from myoglobin, haemoglobin, fresh blood, and blood aged in the laboratory for 10 years was readily observed above the background. By the described DART-TOF-MS method, permethylated haem was positively identified in the mask coating, confirming the presence of blood. This method has obvious utility in forensic science beyond that for identifying blood incorporated in cultural heritage materials.},\n\tjournal = {Analyst},\n\tauthor = {Fraser, Daniel and Selvius DeRoo, Cathy and Cody, Robert B and Armitage, Ruth Ann},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Prior to exhibiting an African Komo mask from the collections of the Detroit Institute of Arts, a multianalytical approach was undertaken to characterize the flaking encrusted coating on the surface of the mask. Preliminary XRF and FTIR examination of the coating on the Komo mask revealed the presence of significant quantities of iron and protein, possibly indicating the presence of blood. Raman spectroscopy showed evidence for the porphyrin structure of haem as well. To confirm that blood was indeed present in the coating, we developed a novel method for identifying the haem moiety from blood by use of in-situ methylation and direct analysis in real time mass spectrometry (DART-MS). Following a denaturing step with formic acid, the resulting solution was combined with an excess of phenyltrimethylammonium hydroxide to promote desorption, applied to a melting point tube, and placed into the Direct Analysis in Real Time ion source gas stream at 550 [degree]C. The permethylated haem ion (m/z 644.208) from myoglobin, haemoglobin, fresh blood, and blood aged in the laboratory for 10 years was readily observed above the background. By the described DART-TOF-MS method, permethylated haem was positively identified in the mask coating, confirming the presence of blood. This method has obvious utility in forensic science beyond that for identifying blood incorporated in cultural heritage materials.\n
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\n \n\n \n \n \n \n \n \n High-throughput differentiation of heparin from other glycosaminoglycans by pyrolysis mass spectrometry.\n \n \n \n \n\n\n \n Nemes, P.; Hoover, W. J; and Keire, D. A.\n\n\n \n\n\n\n Analytical Chemistry. July 2013.\n \n\n\n\n
\n\n\n\n \n \n \"High-throughputPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{nemes_high-throughput_2013,\n\ttitle = {High-throughput differentiation of heparin from other glycosaminoglycans by pyrolysis mass spectrometry},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac401318q},\n\tdoi = {10.1021/ac401318q},\n\tabstract = {Sensors with high chemical specificity and enhanced sample throughput are vital to screening food products and medical devices for chemical or biochemical contaminants that may pose a significant threat to public health. For example, the rapid detection of oversulfated chondroitin sulfate (OSCS) in heparin could prevent reoccurrence of this adulterant that caused hundreds of severe adverse events including deaths worldwide in 2007?2008. Here, rapid pyrolysis is integrated with direct analysis in real time (DART) mass spectrometry to rapidly screen major glycosaminoglycans, including: heparin, chondroitin sulfate A, dermatan sulfate, and OSCS. The results demonstrate that, compared to traditional liquid chromatography-based analyses, pyrolysis mass spectrometry achieved at least 250-fold higher sample throughput and was compatible with samples volume-limited to about 300 nL. Pyrolysis yielded an abundance of fragment ions (e.g., 150 different m/z species), many of which were specific to the parent compound. Using multivariate and statistical data analysis models, these data enabled facile differentiation of the glycosaminoglycans with high throughput. After method development was completed, authentically contaminated samples obtained during the heparin crisis by the FDA were analyzed in a blinded manner for OSCS contamination. The lower limit of differentiation and detection were 0.1\\% (w/w) OSCS in heparin and 100 ng/µL (20 ng) OSCS in water, respectively. For quantitative purposes the linear dynamic range spanned approximately three orders of magnitude. Moreover, this chemical readout was successfully employed to find clues in the manufacturing history of the heparin samples that can be used for surveillance purposes. The presented technology and data analysis protocols are anticipated to be readily adaptable to other chemical and biochemical agents and volume-limited samples.},\n\turldate = {2013-07-16},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nemes, Peter and Hoover, William J and Keire, David A.},\n\tmonth = jul,\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Sensors with high chemical specificity and enhanced sample throughput are vital to screening food products and medical devices for chemical or biochemical contaminants that may pose a significant threat to public health. For example, the rapid detection of oversulfated chondroitin sulfate (OSCS) in heparin could prevent reoccurrence of this adulterant that caused hundreds of severe adverse events including deaths worldwide in 2007?2008. Here, rapid pyrolysis is integrated with direct analysis in real time (DART) mass spectrometry to rapidly screen major glycosaminoglycans, including: heparin, chondroitin sulfate A, dermatan sulfate, and OSCS. The results demonstrate that, compared to traditional liquid chromatography-based analyses, pyrolysis mass spectrometry achieved at least 250-fold higher sample throughput and was compatible with samples volume-limited to about 300 nL. Pyrolysis yielded an abundance of fragment ions (e.g., 150 different m/z species), many of which were specific to the parent compound. Using multivariate and statistical data analysis models, these data enabled facile differentiation of the glycosaminoglycans with high throughput. After method development was completed, authentically contaminated samples obtained during the heparin crisis by the FDA were analyzed in a blinded manner for OSCS contamination. The lower limit of differentiation and detection were 0.1% (w/w) OSCS in heparin and 100 ng/µL (20 ng) OSCS in water, respectively. For quantitative purposes the linear dynamic range spanned approximately three orders of magnitude. Moreover, this chemical readout was successfully employed to find clues in the manufacturing history of the heparin samples that can be used for surveillance purposes. The presented technology and data analysis protocols are anticipated to be readily adaptable to other chemical and biochemical agents and volume-limited samples.\n
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\n \n\n \n \n \n \n \n \n Detection of Caffeine in Tea, Instant Coffee, Green Tea Beverage, and Soft Drink by Direct Analysis in Real Time (DART) Source Coupled to Single-Quadrupole Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, L.; Zhao, P.; Zhang, F.; Bai, A.; and Pan, C.\n\n\n \n\n\n\n Journal of AOAC International, 96(2): 353–356. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_detection_2013,\n\ttitle = {Detection of {Caffeine} in {Tea}, {Instant} {Coffee}, {Green} {Tea} {Beverage}, and {Soft} {Drink} by {Direct} {Analysis} in {Real} {Time} ({DART}) {Source} {Coupled} to {Single}-{Quadrupole} {Mass} {Spectrometry}},\n\tvolume = {96},\n\turl = {http://www.ingentaconnect.com/content/aoac/jaoac/2013/00000096/00000002/art00021},\n\tdoi = {10.5740/jaoacint.12-160},\n\tabstract = {Ambient ionization direct analysis in real time (DART) coupled to single-quadrupole MS (DART-MS) was evaluated for rapid detection of caffeine in commercial samples without chromatographic separation or sample preparation. Four commercial samples were examined: tea, instant coffee, green tea beverage, and soft drink. The response-related parameters were optimized for the DART temperature and MS fragmentor. Under optimal conditions, the molecular ion (M+H)+ was the major ion for identification of caffeine. The results showed that DART-MS is a promising tool for the quick analysis of important marker molecules in commercial samples. Furthermore, this system has demonstrated significant potential for high sample throughput and real-time analysis.},\n\tnumber = {2},\n\tjournal = {Journal of AOAC International},\n\tauthor = {Wang, Lei and Zhao, Pengyue and Zhang, Fengzu and Bai, Aijuan and Pan, Canping},\n\tyear = {2013},\n\tpages = {353--356},\n}\n\n\n\n
\n
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\n Ambient ionization direct analysis in real time (DART) coupled to single-quadrupole MS (DART-MS) was evaluated for rapid detection of caffeine in commercial samples without chromatographic separation or sample preparation. Four commercial samples were examined: tea, instant coffee, green tea beverage, and soft drink. The response-related parameters were optimized for the DART temperature and MS fragmentor. Under optimal conditions, the molecular ion (M+H)+ was the major ion for identification of caffeine. The results showed that DART-MS is a promising tool for the quick analysis of important marker molecules in commercial samples. Furthermore, this system has demonstrated significant potential for high sample throughput and real-time analysis.\n
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\n \n\n \n \n \n \n \n \n Evaluation of direct analysis in real time ionization–mass spectrometry (DART–MS) in fish metabolomics aimed to assess the response to dietary supplementation.\n \n \n \n \n\n\n \n Cajka, T.; Danhelova, H.; Vavrecka, A.; Riddellova, K.; Kocourek, V.; Vacha, F.; and Hajslova, J.\n\n\n \n\n\n\n Talanta, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cajka_evaluation_2013,\n\ttitle = {Evaluation of direct analysis in real time ionization–mass spectrometry ({DART}–{MS}) in fish metabolomics aimed to assess the response to dietary supplementation},\n\tissn = {0039-9140},\n\turl = {http://www.sciencedirect.com/science/article/pii/S003991401300307X},\n\tdoi = {10.1016/j.talanta.2013.04.025},\n\tabstract = {Abstract \nAmbient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium-high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a rapid tool for metabolomic fingerprinting to study the effects of supplemental feeding with cereals (triticale) on the composition of muscle metabolites of common carp (Cyprinus carpio L.). \n \nFirst, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from common carp muscle. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. Next, the metabolomic fingerprints (mass spectra) of a large set of common carp muscle extracts were acquired. Finally, the experimental data were statistically evaluated using principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). \n \nUsing this approach, differentiation of common carp muscle in response to dietary supplementation (feeding with and without cereals) was feasible. Correct classification was obtained based on the assessment of polar and as well as non-polar extracts fingerprints. The current study showed that DART–TOFMS metabolomic fingerprinting represents a rapid and powerful analytical strategy enabling differentiation of common carp muscles according to feeding history by recording metabolomic fingerprints of ionizable components under the conditions of ambient MS.},\n\tnumber = {0},\n\tjournal = {Talanta},\n\tauthor = {Cajka, Tomas and Danhelova, Hana and Vavrecka, Antonin and Riddellova, Katerina and Kocourek, Vladimir and Vacha, Frantisek and Hajslova, Jana},\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time (DART), Feeding, Fish, Metabolomic fingerprinting, mass spectrometry},\n}\n\n\n\n
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\n Abstract Ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium-high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a rapid tool for metabolomic fingerprinting to study the effects of supplemental feeding with cereals (triticale) on the composition of muscle metabolites of common carp (Cyprinus carpio L.). First, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from common carp muscle. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. Next, the metabolomic fingerprints (mass spectra) of a large set of common carp muscle extracts were acquired. Finally, the experimental data were statistically evaluated using principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). Using this approach, differentiation of common carp muscle in response to dietary supplementation (feeding with and without cereals) was feasible. Correct classification was obtained based on the assessment of polar and as well as non-polar extracts fingerprints. The current study showed that DART–TOFMS metabolomic fingerprinting represents a rapid and powerful analytical strategy enabling differentiation of common carp muscles according to feeding history by recording metabolomic fingerprints of ionizable components under the conditions of ambient MS.\n
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\n \n\n \n \n \n \n \n \n Transmission mode direct analysis in real time mass spectrometry for fast untargeted metabolic fingerprinting.\n \n \n \n \n\n\n \n Jones, C. M.; and Fernández, F. M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(12): 1311–1318. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"TransmissionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jones_transmission_2013,\n\ttitle = {Transmission mode direct analysis in real time mass spectrometry for fast untargeted metabolic fingerprinting},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6566},\n\tdoi = {10.1002/rcm.6566},\n\tabstract = {RATIONALE \n \nUntargeted metabolic fingerprinting is a discovery tool to better understand biochemical processes involved in detecting and characterizing disease states and responses to environmental stressors. Although current mass spectrometric (MS) methods are very powerful, there is a clear need for more rapid, high-throughput MS approaches for metabolomics studies. \n \nMETHODS \n \nA rapid metabolic fingerprinting method for human blood sera that utilizes a new transmission mode direct analysis in real time (TM-DART) sampling technique coupled with quadrupole time of flight mass spectrometry (QTOFMS) is presented. In this approach, the sample is deposited directly on a stainless steel mesh that is held in the ionization region by a custom-built module. As a result, the DART plasma gas stream interacts with the sample in a flow-through fashion, which maximizes the interaction between the sample and ionizing species and minimizes variance in sample positioning. \n \nRESULTS \n \nThe optimization of TM-DART parameters directly affecting metabolite desorption and ionization, such as sample position and ionizing gas desorption temperature, was critical in achieving high sensitivity and detecting a broad mass range of metabolites. Ramping the ionizing gas desorption temperature further enhanced analysis by adding a simple separation dimension to this ambient approach. In terms of reproducibility, TM-DART compared favorably with traditional probe mode (PM-) DART analysis, with coefficients of variation as low as 16\\%. The longer-lasting TM-DART signals enabled the acquisition of metabolite full scan and product ion accurate mass spectra in a single experiment, resulting in greater confidence in metabolite identification. \n \nCONCLUSIONS \n \nTM-DART MS proved to be a powerful analytical technique for rapid metabolome analysis of human blood sera. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {12},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Jones, Christina M. and Fernández, Facundo M.},\n\tmonth = jun,\n\tyear = {2013},\n\tpages = {1311--1318},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Untargeted metabolic fingerprinting is a discovery tool to better understand biochemical processes involved in detecting and characterizing disease states and responses to environmental stressors. Although current mass spectrometric (MS) methods are very powerful, there is a clear need for more rapid, high-throughput MS approaches for metabolomics studies. METHODS A rapid metabolic fingerprinting method for human blood sera that utilizes a new transmission mode direct analysis in real time (TM-DART) sampling technique coupled with quadrupole time of flight mass spectrometry (QTOFMS) is presented. In this approach, the sample is deposited directly on a stainless steel mesh that is held in the ionization region by a custom-built module. As a result, the DART plasma gas stream interacts with the sample in a flow-through fashion, which maximizes the interaction between the sample and ionizing species and minimizes variance in sample positioning. RESULTS The optimization of TM-DART parameters directly affecting metabolite desorption and ionization, such as sample position and ionizing gas desorption temperature, was critical in achieving high sensitivity and detecting a broad mass range of metabolites. Ramping the ionizing gas desorption temperature further enhanced analysis by adding a simple separation dimension to this ambient approach. In terms of reproducibility, TM-DART compared favorably with traditional probe mode (PM-) DART analysis, with coefficients of variation as low as 16%. The longer-lasting TM-DART signals enabled the acquisition of metabolite full scan and product ion accurate mass spectra in a single experiment, resulting in greater confidence in metabolite identification. CONCLUSIONS TM-DART MS proved to be a powerful analytical technique for rapid metabolome analysis of human blood sera. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Trace analysis of energetic materials via direct analyte-probed nanoextraction coupled to direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Clemons, K.; Dake, J.; Sisco, E.; and Verbeck IV, G. F.\n\n\n \n\n\n\n Forensic Science International, 231(1–3): 98–101. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"TracePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{clemons_trace_2013,\n\ttitle = {Trace analysis of energetic materials via direct analyte-probed nanoextraction coupled to direct analysis in real time mass spectrometry},\n\tvolume = {231},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813002454},\n\tdoi = {10.1016/j.forsciint.2013.04.022},\n\tabstract = {Abstract \nDirect analysis in real time mass spectrometry (DART-MS) has proven to be a useful forensic tool for the trace analysis of energetic materials. While other techniques for detecting trace amounts of explosives involve extraction, derivatization, solvent exchange, or sample clean-up, DART-MS requires none of these. Typical DART-MS analyses directly from a solid sample or from a swab have been quite successful; however, these methods may not always be an optimal sampling technique in a forensic setting. For example, if the sample were only located in an area which included a latent fingerprint of interest, direct DART-MS analysis or the use of a swab would almost certainly destroy the print. To avoid ruining such potentially invaluable evidence, another method has been developed which will leave the fingerprint virtually untouched. Direct analyte-probed nanoextraction coupled to nanospray ionization-mass spectrometry (DAPNe–NSI-MS) has demonstrated excellent sensitivity and repeatability in forensic analyses of trace amounts of illicit drugs from various types of surfaces. This technique employs a nanomanipulator in conjunction with bright-field microscopy to extract single particles from a surface of interest and has provided a limit of detection of 300 attograms for caffeine. Combining DAPNe with DART-MS provides another level of flexibility in forensic analysis, and has proven to be a sufficient detection method for trinitrotoluene (TNT), RDX, and 1-methylaminoanthraquinone (MAAQ).},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Clemons, Kristina and Dake, Jeffrey and Sisco, Edward and Verbeck IV, Guido F.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Direct analyte-probed nanoextraction, Explosives, Latent fingerprint, forensic science, mass spectrometry},\n\tpages = {98--101},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Direct analysis in real time mass spectrometry (DART-MS) has proven to be a useful forensic tool for the trace analysis of energetic materials. While other techniques for detecting trace amounts of explosives involve extraction, derivatization, solvent exchange, or sample clean-up, DART-MS requires none of these. Typical DART-MS analyses directly from a solid sample or from a swab have been quite successful; however, these methods may not always be an optimal sampling technique in a forensic setting. For example, if the sample were only located in an area which included a latent fingerprint of interest, direct DART-MS analysis or the use of a swab would almost certainly destroy the print. To avoid ruining such potentially invaluable evidence, another method has been developed which will leave the fingerprint virtually untouched. Direct analyte-probed nanoextraction coupled to nanospray ionization-mass spectrometry (DAPNe–NSI-MS) has demonstrated excellent sensitivity and repeatability in forensic analyses of trace amounts of illicit drugs from various types of surfaces. This technique employs a nanomanipulator in conjunction with bright-field microscopy to extract single particles from a surface of interest and has provided a limit of detection of 300 attograms for caffeine. Combining DAPNe with DART-MS provides another level of flexibility in forensic analysis, and has proven to be a sufficient detection method for trinitrotoluene (TNT), RDX, and 1-methylaminoanthraquinone (MAAQ).\n
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\n \n\n \n \n \n \n \n \n The use HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS for rapid analysis of degradation by oxidation and sonication of an azo dye.\n \n \n \n \n\n\n \n Djelal, H.; Cornée, C.; Tartivel, R.; Lavastre, O.; and Amrane, A.\n\n\n \n\n\n\n Arabian Journal of Chemistry, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{djelal_use_2013,\n\ttitle = {The use {HPTLC} and {Direct} {Analysis} in {Real} {Time}-{Of}-{Flight} {Mass} {Spectrometry} {DART}-{TOF}-{MS} for rapid analysis of degradation by oxidation and sonication of an azo dye},\n\tissn = {1878-5352},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1878535213001676},\n\tdoi = {10.1016/j.arabjc.2013.06.003},\n\tabstract = {Abstract \nAdvanced oxidation processes are efficient for the removal of recalcitrant compounds, like azo-dyes. However, the intermediates produced during their degradation can be more toxic than the parent compounds. Improving the knowledge concerning the degradation pathways may be therefore helpful to optimize the process. In this aim, HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS were considered and applied to analyze the sono-oxidation of an azo dye, methyl red sodium salt (MRSS) as a model compound. Initial and final UV-Vis spectra showed a clear disappearance of the maximum absorption peak, but shows limit since it cannot allow by-products identification. MRSS degradation was confirmed by HPTLC, which also confirmed that MRSS degradation was mainly due to oxidation, while in the considered experimental conditions the sonication effect appeared negligible. Three major peaks were observed by DART-TOF-MS after MRSS oxidation, m/z=139.002, m/z=223.073 and m/z=279.137, Relative abundance of m/z=139.002, which was much higher after oxidation, tends to prove that a large proportion of initial oxydized MRSS was fragmented. The MRSS m/z = 270.078. The coupling of HPTLC and DART-TOF-MS may be subsequently considered to identify the oxidation reaction products.},\n\tnumber = {0},\n\tjournal = {Arabian Journal of Chemistry},\n\tauthor = {Djelal, Hayet and Cornée, Carole and Tartivel, Ronan and Lavastre, Olivier and Amrane, Abdeltif},\n\tyear = {2013},\n\tkeywords = {Azo dyes, DART-TOF-MS, HPTLC, MRSS, Sono-oxidation},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Advanced oxidation processes are efficient for the removal of recalcitrant compounds, like azo-dyes. However, the intermediates produced during their degradation can be more toxic than the parent compounds. Improving the knowledge concerning the degradation pathways may be therefore helpful to optimize the process. In this aim, HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS were considered and applied to analyze the sono-oxidation of an azo dye, methyl red sodium salt (MRSS) as a model compound. Initial and final UV-Vis spectra showed a clear disappearance of the maximum absorption peak, but shows limit since it cannot allow by-products identification. MRSS degradation was confirmed by HPTLC, which also confirmed that MRSS degradation was mainly due to oxidation, while in the considered experimental conditions the sonication effect appeared negligible. Three major peaks were observed by DART-TOF-MS after MRSS oxidation, m/z=139.002, m/z=223.073 and m/z=279.137, Relative abundance of m/z=139.002, which was much higher after oxidation, tends to prove that a large proportion of initial oxydized MRSS was fragmented. The MRSS m/z = 270.078. The coupling of HPTLC and DART-TOF-MS may be subsequently considered to identify the oxidation reaction products.\n
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\n \n\n \n \n \n \n \n \n Characterizations of the Extracts from Geting Bituminous Coal by Spectrometries.\n \n \n \n \n\n\n \n Shi, D.; Wei, X.; Fan, X.; Zong, Z.; Chen, B.; Zhao, Y.; Wang, Y.; and Cao, J.\n\n\n \n\n\n\n Energy & Fuels. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{shi_characterizations_2013,\n\ttitle = {Characterizations of the {Extracts} from {Geting} {Bituminous} {Coal} by {Spectrometries}},\n\tissn = {0887-0624},\n\turl = {http://dx.doi.org/10.1021/ef4004686},\n\tdoi = {10.1021/ef4004686},\n\tabstract = {Geting bituminous coal (GBC) was sequentially extracted with petroleum ether, carbon disulfide (CDS), methanol, acetone, and isometric CDS/acetone mixed solvent at room temperature to afford extracts 1-5 (E1-E5) and residue, respectively. Detailed characterizations of the extracts were performed with a gas chromatography/mass spectrometer (GC/MS), Fourier transform infrared (FTIR) spectrometer, and direct analysis in real time ionization source (DARTIS) coupled to an ion trap mass spectrometer (ITMS). GBC and its residue were also analyzed with the FTIR spectrometer. Particle sizes of the residue were significantly reduced compared with those of GBC according to the observation with scanning electron microscope. Arenes with 1-4 rings and more condensed arenes were enriched into E1 and E2, respectively, while more heteroatom-containing organic species were detected in other extracts, especially in E3 and E4 according to GC/MS analysis. The extracts, especially E1-E4, contain more aliphatic moieties and less aromatic moieties compared to GBC and its residue based on FTIR analysis. DARTIS/ITMS proved to be a powerful tool for analyzing thermally labile and/or involatile species, which are difficult to be identified with GC/MS, in the extracts. The GC-MS gave identification of relative small molecules demonstrating the enrichment of alkanes and 1-3 rings aromatics in E1, 4-6 rings aromatics in E2, organooxygen compounds in E3, phthalates and alkoxycarbonyl benzoic acids in E4. FT-IR analysis showed the functional groups in all extracts were mostly consistent with the GC-MS analysis. It supplied characterization and distribution of large molecules, which was beyond the detection range of GC-MS. DART-MS and corresponding tandem mass spectrometry program (DART-MS-MS) afforded the structural information about a wide variety of homologues (with the same core but different number of CH2) in extracts, which matched well with FT-IR result. Furthermore, the DART-MS-MS also elucidated the identification of alkoxycarbonyl benzoic acids series and et al, which was in good agreement with GC-MS result. These work confirmed that the DART-MS, as a novel and cutting-edge technology, is a desirable and reliable technology in coal chemistry. In this paper, combined with sophisticate GC-MS and FT-IR, DART-MS offered us detailed characteristics of GBC extract on molecule-level.},\n\turldate = {2013-06-25},\n\tjournal = {Energy \\& Fuels},\n\tauthor = {Shi, Da-Ling and Wei, Xian-Yong and Fan, Xing and Zong, Zhi-Min and Chen, Bo and Zhao, Yun-Peng and Wang, Yu-Gao and Cao, Jing-Pei},\n\tmonth = jun,\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Geting bituminous coal (GBC) was sequentially extracted with petroleum ether, carbon disulfide (CDS), methanol, acetone, and isometric CDS/acetone mixed solvent at room temperature to afford extracts 1-5 (E1-E5) and residue, respectively. Detailed characterizations of the extracts were performed with a gas chromatography/mass spectrometer (GC/MS), Fourier transform infrared (FTIR) spectrometer, and direct analysis in real time ionization source (DARTIS) coupled to an ion trap mass spectrometer (ITMS). GBC and its residue were also analyzed with the FTIR spectrometer. Particle sizes of the residue were significantly reduced compared with those of GBC according to the observation with scanning electron microscope. Arenes with 1-4 rings and more condensed arenes were enriched into E1 and E2, respectively, while more heteroatom-containing organic species were detected in other extracts, especially in E3 and E4 according to GC/MS analysis. The extracts, especially E1-E4, contain more aliphatic moieties and less aromatic moieties compared to GBC and its residue based on FTIR analysis. DARTIS/ITMS proved to be a powerful tool for analyzing thermally labile and/or involatile species, which are difficult to be identified with GC/MS, in the extracts. The GC-MS gave identification of relative small molecules demonstrating the enrichment of alkanes and 1-3 rings aromatics in E1, 4-6 rings aromatics in E2, organooxygen compounds in E3, phthalates and alkoxycarbonyl benzoic acids in E4. FT-IR analysis showed the functional groups in all extracts were mostly consistent with the GC-MS analysis. It supplied characterization and distribution of large molecules, which was beyond the detection range of GC-MS. DART-MS and corresponding tandem mass spectrometry program (DART-MS-MS) afforded the structural information about a wide variety of homologues (with the same core but different number of CH2) in extracts, which matched well with FT-IR result. Furthermore, the DART-MS-MS also elucidated the identification of alkoxycarbonyl benzoic acids series and et al, which was in good agreement with GC-MS result. These work confirmed that the DART-MS, as a novel and cutting-edge technology, is a desirable and reliable technology in coal chemistry. In this paper, combined with sophisticate GC-MS and FT-IR, DART-MS offered us detailed characteristics of GBC extract on molecule-level.\n
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\n \n\n \n \n \n \n \n \n Determination of cocaine and methadone in urine samples by thin-film solid-phase microextraction and direct analysis in real time (DART) coupled with tandem mass spectrometry.\n \n \n \n \n\n\n \n Rodriguez-Lafuente, A.; Mirnaghi, F.; and Pawliszyn, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–5. May 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rodriguez-lafuente_determination_2013,\n\ttitle = {Determination of cocaine and methadone in urine samples by thin-film solid-phase microextraction and direct analysis in real time ({DART}) coupled with tandem mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6993-z},\n\tdoi = {10.1007/s00216-013-6993-z},\n\tabstract = {The use of thin-film solid-phase microextraction (SPME) as the sampling preparation step before direct analysis in real time (DART) was evaluated for the determination of two prohibited doping substances, cocaine and methadone, in urine samples. Results showed that thin-film SPME improves the detectability of these compounds: signal-to-blank ratios of 5 (cocaine) and 13 (methadone) were obtained in the analysis of 0.5 ng/ml in human urine. Thin-film SPME also provides efficient sample cleanup, avoiding contamination of the ion source by salt residues from the urine samples. Extraction time was established in 10 min, thus providing relatively short analysis time and high throughput when combined with a 96-well shaker and coupled with DART technique.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Rodriguez-Lafuente, Angel and Mirnaghi, FatemehS. and Pawliszyn, Janusz},\n\tmonth = may,\n\tyear = {2013},\n\tkeywords = {DART, Doping, Thin-film SPME, Urine},\n\tpages = {1--5},\n}\n\n\n\n
\n
\n\n\n
\n The use of thin-film solid-phase microextraction (SPME) as the sampling preparation step before direct analysis in real time (DART) was evaluated for the determination of two prohibited doping substances, cocaine and methadone, in urine samples. Results showed that thin-film SPME improves the detectability of these compounds: signal-to-blank ratios of 5 (cocaine) and 13 (methadone) were obtained in the analysis of 0.5 ng/ml in human urine. Thin-film SPME also provides efficient sample cleanup, avoiding contamination of the ion source by salt residues from the urine samples. Extraction time was established in 10 min, thus providing relatively short analysis time and high throughput when combined with a 96-well shaker and coupled with DART technique.\n
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\n \n\n \n \n \n \n \n \n Analysis of writing inks on paper using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Jones, R. W.; and McClelland, J. F.\n\n\n \n\n\n\n Forensic Science International, 231(1–3): 73–81. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{jones_analysis_2013,\n\ttitle = {Analysis of writing inks on paper using direct analysis in real time mass spectrometry},\n\tvolume = {231},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813002399},\n\tdoi = {10.1016/j.forsciint.2013.04.016},\n\tabstract = {Abstract \nInk analysis is central to questioned document examination. We applied direct analysis in real time mass spectrometry (DART MS) to ballpoint, gel, and fluid writing ink analysis. DART MS acquires the mass spectrum of an ink while it is still on a document without altering the appearance of the document. Spectra were acquired from ink on a variety of papers, and the spectrum of the blank paper could be subtracted out to produce a cleanly isolated ink spectrum in most cases. Only certain heavy or heavily processed papers interfered. The time since an ink is written on paper has a large effect on its spectrum. DART spectra change radically during the first few months after an ink is written as the more volatile components evaporate, but the spectra stabilize after that. A library-search study involving 166 well-aged inks assessed the ability to identify inks from their DART spectra. The aggregate success rate was 92\\%.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Jones, Roger W. and McClelland, John F.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Ink, Ink identification, forensic science, mass spectrometry, questioned documents},\n\tpages = {73--81},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Ink analysis is central to questioned document examination. We applied direct analysis in real time mass spectrometry (DART MS) to ballpoint, gel, and fluid writing ink analysis. DART MS acquires the mass spectrum of an ink while it is still on a document without altering the appearance of the document. Spectra were acquired from ink on a variety of papers, and the spectrum of the blank paper could be subtracted out to produce a cleanly isolated ink spectrum in most cases. Only certain heavy or heavily processed papers interfered. The time since an ink is written on paper has a large effect on its spectrum. DART spectra change radically during the first few months after an ink is written as the more volatile components evaporate, but the spectra stabilize after that. A library-search study involving 166 well-aged inks assessed the ability to identify inks from their DART spectra. The aggregate success rate was 92%.\n
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\n \n\n \n \n \n \n \n \n Application of direct analysis in real time ionization–mass spectrometry (DART–MS) in chicken meat metabolomics aiming at the retrospective control of feed fraud.\n \n \n \n \n\n\n \n Cajka, T.; Danhelova, H.; Zachariasova, M.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Metabolomics,1–13. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cajka_application_2013,\n\ttitle = {Application of direct analysis in real time ionization–mass spectrometry ({DART}–{MS}) in chicken meat metabolomics aiming at the retrospective control of feed fraud},\n\tissn = {1573-3882},\n\turl = {http://dx.doi.org/10.1007/s11306-013-0495-z},\n\tdoi = {10.1007/s11306-013-0495-z},\n\tabstract = {Metabolomic fingerprinting enabled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium–high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a tool for differentiation between chickens fed by feed that contained 5–8 \\% (w/w) of chicken bone meal (a banned component) and those representing a reference group, i.e. grown otherwise under the same conditions. In the first step, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from chicken muscle and feed on which experimental animals were grown. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. In the next step, metabolomic fingerprints of a large set of chicken muscle and feed extracts were acquired. In the final phase, the experimental data were statistically evaluated using principal component analysis and orthogonal partial least squares discriminant analysis. In general, differentiation of chicken muscle according to diet (feed with and without the addition of chicken bone meal) was feasible. Additional experiments conducted after 6 months confirmed applicability of this approach. Correct classification was obtained based on the assessment of polar as well as non-polar extracts fingerprints. However, the analysis of non-polar extracts showed that the pattern of triacylglycerols is more prone to seasonal variability and/or type of raw materials used during feed preparation which obscures the bone meal impact to some extent.},\n\tlanguage = {English},\n\tjournal = {Metabolomics},\n\tauthor = {Cajka, Tomas and Danhelova, Hana and Zachariasova, Milena and Riddellova, Katerina and Hajslova, Jana},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {Authenticity, Chicken, Direct analysis in real time (DART), Feed, Metabolomic fingerprinting, mass spectrometry},\n\tpages = {1--13},\n}\n\n\n\n
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\n Metabolomic fingerprinting enabled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium–high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a tool for differentiation between chickens fed by feed that contained 5–8 % (w/w) of chicken bone meal (a banned component) and those representing a reference group, i.e. grown otherwise under the same conditions. In the first step, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from chicken muscle and feed on which experimental animals were grown. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. In the next step, metabolomic fingerprints of a large set of chicken muscle and feed extracts were acquired. In the final phase, the experimental data were statistically evaluated using principal component analysis and orthogonal partial least squares discriminant analysis. In general, differentiation of chicken muscle according to diet (feed with and without the addition of chicken bone meal) was feasible. Additional experiments conducted after 6 months confirmed applicability of this approach. Correct classification was obtained based on the assessment of polar as well as non-polar extracts fingerprints. However, the analysis of non-polar extracts showed that the pattern of triacylglycerols is more prone to seasonal variability and/or type of raw materials used during feed preparation which obscures the bone meal impact to some extent.\n
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\n \n\n \n \n \n \n \n \n Monitoring tea fermentation/manufacturing by Direct Analysis in Real Time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Fraser, K.; Lane, G. A.; Otter, D. E.; Harrison, S. J.; Quek, S.; Hemar, Y.; and Rasmussen, S.\n\n\n \n\n\n\n Food Chemistry, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MonitoringPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{fraser_monitoring_2013,\n\ttitle = {Monitoring tea fermentation/manufacturing by {Direct} {Analysis} in {Real} {Time} ({DART}) mass spectrometry},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814613006390},\n\tdoi = {10.1016/j.foodchem.2013.05.054},\n\tabstract = {Abstract \nFactors such as fermentation methods, geographical origin and season can affect the biochemical composition of tea leaves (Camellia sinensis L.). In this study, the biochemical composition of oolong tea during the manufacturing and fermentation process was studied using a non-targeted method utilising ambient ionisation with a direct analysis in real time (DART) ion source and mass spectrometry (MS). Caffeine dominated the positive ionisation spectra throughout the manufacturing process, while the negative ion spectra collected during manufacturing were rich in ions likely to be surface lipids. Correlation analyses on the spectra revealed two volatile compounds tentatively identified as indole and geranic acid, along with ammonium and caffeine clusters/adducts with geranic acid that increased in concentration during the fermentation stages of the process. The tentative identifications were assigned using a combination of DART-ion-trap MSn and DART-accurate mass MS1 and MS2 on tea samples and standard compounds. This study highlights the potential of DART-MS to rapidly monitor the progress of complex manufacturing processes such as tea fermentation.},\n\tnumber = {0},\n\tjournal = {Food Chemistry},\n\tauthor = {Fraser, Karl and Lane, Geoff A. and Otter, Don E. and Harrison, Scott J. and Quek, Siew-Young and Hemar, Yacine and Rasmussen, Susanne},\n\tyear = {2013},\n\tkeywords = {Caffeine, DARTMass spectrometry, Direct analysis in real time, Fermentation, Geranic acid, Profiling, Tea, Tea manufacturing},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Factors such as fermentation methods, geographical origin and season can affect the biochemical composition of tea leaves (Camellia sinensis L.). In this study, the biochemical composition of oolong tea during the manufacturing and fermentation process was studied using a non-targeted method utilising ambient ionisation with a direct analysis in real time (DART) ion source and mass spectrometry (MS). Caffeine dominated the positive ionisation spectra throughout the manufacturing process, while the negative ion spectra collected during manufacturing were rich in ions likely to be surface lipids. Correlation analyses on the spectra revealed two volatile compounds tentatively identified as indole and geranic acid, along with ammonium and caffeine clusters/adducts with geranic acid that increased in concentration during the fermentation stages of the process. The tentative identifications were assigned using a combination of DART-ion-trap MSn and DART-accurate mass MS1 and MS2 on tea samples and standard compounds. This study highlights the potential of DART-MS to rapidly monitor the progress of complex manufacturing processes such as tea fermentation.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) of \"Bath Salt\" Cathinone Drug Mixtures.\n \n \n \n \n\n\n \n Lesiak, A.; Musah, R.; Cody, R. B; Domin, M. A.; Dane, J.; and Shepard, J. R. E.\n\n\n \n\n\n\n Analyst. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) of "{Bath} {Salt}" {Cathinone} {Drug} {Mixtures}},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00360D},\n\tdoi = {10.1039/C3AN00360D},\n\tabstract = {Rapid and versatile direct analysis in real time mass spectrometry (DART-MS) methods were developed for detection and characterization of synthetic cathinone designer drugs, also known as "bath salts". The speed and efficiency associated with DART-MS testing of such highly unpredictable samples demonstrate the technique as an attractive alternative to conventional GC-MS and LC-MS methods. A series of isobaric and closely related synthetic cathinones, alone and in mixtures, were differentiated using high mass accuracy and in-source collision induced dissociation (CID). Crime laboratories have observed a dramatic rise in the use of these substances, which has caused sample testing backlogs, particularly since the myriad of closely structurally related compounds are challenging to efficiently differentiate. This challenge is compounded by the perpetual emergence of new structural variants as soon as older generation derivatives become scheduled. Because of the numerous chemical substances that fall into these categories, along with the varying composition and complexity of mixtures of these drugs, DART-MS CID has the potential to dramatically streamline sample analysis, minimize the number of sample preparation steps, and enable rapid characterization of emerging structural analogs.},\n\tjournal = {Analyst},\n\tauthor = {Lesiak, Ashton and Musah, Rabi and Cody, Robert B and Domin, Marek Adam and Dane, John and Shepard, Jason R. E.},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Rapid and versatile direct analysis in real time mass spectrometry (DART-MS) methods were developed for detection and characterization of synthetic cathinone designer drugs, also known as \"bath salts\". The speed and efficiency associated with DART-MS testing of such highly unpredictable samples demonstrate the technique as an attractive alternative to conventional GC-MS and LC-MS methods. A series of isobaric and closely related synthetic cathinones, alone and in mixtures, were differentiated using high mass accuracy and in-source collision induced dissociation (CID). Crime laboratories have observed a dramatic rise in the use of these substances, which has caused sample testing backlogs, particularly since the myriad of closely structurally related compounds are challenging to efficiently differentiate. This challenge is compounded by the perpetual emergence of new structural variants as soon as older generation derivatives become scheduled. Because of the numerous chemical substances that fall into these categories, along with the varying composition and complexity of mixtures of these drugs, DART-MS CID has the potential to dramatically streamline sample analysis, minimize the number of sample preparation steps, and enable rapid characterization of emerging structural analogs.\n
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\n \n\n \n \n \n \n \n \n Detection of drugs in latent fingermarks by two mass spectrometric methods.\n \n \n \n \n\n\n \n Lim, A. Y.; Rowell, F J; Elumbaring-Salazar, C. G.; Loke, J.; and Ma, J.\n\n\n \n\n\n\n Analytical Methods. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lim_detection_2013,\n\ttitle = {Detection of drugs in latent fingermarks by two mass spectrometric methods},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY40538A},\n\tdoi = {10.1039/C3AY40538A},\n\tabstract = {The ability of two mass spectrometric methods, surface assisted laser desorption ionization mass spectrometry (SALDI-MS) and direct analysis in real time mass spectrometry (DART-MS), to detect the presence of 5 drugs in latent fingermarks has been examined. It was found that each drug could be detected with good sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-MS. In contrast, for latent marks lifted from 3 surfaces (ceramic tile, wood laminate and backing of adhesive tape), no drug could be detected in dusted marks on the surface of a commercial lifting tape by DART-MS due to high background interference from the tape material, whereas all the drugs could be detected by SALDI-MS on equivalent marks. Also, it was demonstrated that drug-spiked latent fingermarks pre-dusted with regular fingerprint powder and lifted using conventional lifting tape could be redeveloped with carbon black doped silica particles to enable MS interrogation via SALDI-MS.},\n\tjournal = {Analytical Methods},\n\tauthor = {Lim, Angelina Yimei and Rowell, F J and Elumbaring-Salazar, Cheryl Grace and Loke, Jason and Ma, Jan},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n The ability of two mass spectrometric methods, surface assisted laser desorption ionization mass spectrometry (SALDI-MS) and direct analysis in real time mass spectrometry (DART-MS), to detect the presence of 5 drugs in latent fingermarks has been examined. It was found that each drug could be detected with good sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-MS. In contrast, for latent marks lifted from 3 surfaces (ceramic tile, wood laminate and backing of adhesive tape), no drug could be detected in dusted marks on the surface of a commercial lifting tape by DART-MS due to high background interference from the tape material, whereas all the drugs could be detected by SALDI-MS on equivalent marks. Also, it was demonstrated that drug-spiked latent fingermarks pre-dusted with regular fingerprint powder and lifted using conventional lifting tape could be redeveloped with carbon black doped silica particles to enable MS interrogation via SALDI-MS.\n
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\n \n\n \n \n \n \n \n \n Real time in situ chemical characterization of sub-micron organic aerosols using Direct Analysis in Real Time mass spectrometry (DART-MS): the effect of aerosol size and volatility.\n \n \n \n \n\n\n \n Chan, M. N.; Nah, T.; and Wilson, K. R.\n\n\n \n\n\n\n Analyst. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RealPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chan_real_2013,\n\ttitle = {Real time in situ chemical characterization of sub-micron organic aerosols using {Direct} {Analysis} in {Real} {Time} mass spectrometry ({DART}-{MS}): the effect of aerosol size and volatility},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00168G},\n\tdoi = {10.1039/C3AN00168G},\n\tabstract = {Direct Analysis in Real Time (DART) mass spectrometry is an atmospheric pressure ionization technique suitable for in situ chemical analysis of organic aerosols. Here, mass spectra are obtained by introducing a stream of nanometer-sized aerosols into the ionization region, which is an open space between the ion source and the atmospheric inlet of mass spectrometer. Model single component aerosols are used to show how the aerosol size and volatility influence the measured ion signals at different DART gas temperatures. The results show that for equivalent aerosol mass concentrations, the ion signal scales with particle surface area, with smaller diameter oleic acid aerosols yielding higher ion signals relative to larger diameter aerosols. For the aerosols of the same size, but different vapor pressures, the ion signal is larger for more volatile succinic acid aerosols than less volatile adipic and suberic acid particles. From the measured changes in aerosol size, produced by the DART source, the radial probing depth for these model aerosols range from 1 to 10 nm, the magnitude of which depends upon the physiochemical properties of the aerosols and DART gas temperature. An aerosol evaporation model reveals that the ion signal is correlated with changes in aerosol size and depends upon the total quantity of evaporated aerosol mass, consistent with a mechanism in which gas-phase molecules are first desorbed from the aerosol surface prior to ionization. The results of this work serve as a basis for future investigations of the mass spectra, ionization pathways, and probing depth of the aerosols using DART.},\n\tjournal = {Analyst},\n\tauthor = {Chan, Man Nin and Nah, Theodora and Wilson, Kevin R.},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART) mass spectrometry is an atmospheric pressure ionization technique suitable for in situ chemical analysis of organic aerosols. Here, mass spectra are obtained by introducing a stream of nanometer-sized aerosols into the ionization region, which is an open space between the ion source and the atmospheric inlet of mass spectrometer. Model single component aerosols are used to show how the aerosol size and volatility influence the measured ion signals at different DART gas temperatures. The results show that for equivalent aerosol mass concentrations, the ion signal scales with particle surface area, with smaller diameter oleic acid aerosols yielding higher ion signals relative to larger diameter aerosols. For the aerosols of the same size, but different vapor pressures, the ion signal is larger for more volatile succinic acid aerosols than less volatile adipic and suberic acid particles. From the measured changes in aerosol size, produced by the DART source, the radial probing depth for these model aerosols range from 1 to 10 nm, the magnitude of which depends upon the physiochemical properties of the aerosols and DART gas temperature. An aerosol evaporation model reveals that the ion signal is correlated with changes in aerosol size and depends upon the total quantity of evaporated aerosol mass, consistent with a mechanism in which gas-phase molecules are first desorbed from the aerosol surface prior to ionization. The results of this work serve as a basis for future investigations of the mass spectra, ionization pathways, and probing depth of the aerosols using DART.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time-mass spectrometry (DART-MS) for rapid qualitative screening of toxic glycols in glycerin-containing products.\n \n \n \n \n\n\n \n Self, R. L.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{self_direct_2013,\n\ttitle = {Direct analysis in real time-mass spectrometry ({DART}-{MS}) for rapid qualitative screening of toxic glycols in glycerin-containing products},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708513001052},\n\tdoi = {10.1016/j.jpba.2013.02.037},\n\tabstract = {In 2007, the United States Food and Drug Administration released guidance recommending testing of glycerin used in regulated consumer products, such as cough syrup preparations, toothpaste, and other pharmaceutical and food products, for the toxic compounds ethylene glycol and diethylene glycol. Regulatory laboratories routinely test glycerin, and products containing glycerin or related compounds for these toxic glycols, using an official gas chromatographic method, to ensure the safety of these products. The current work describes a companion technique to compliment this GC-FID method utilizing Orbitrap mass spectrometry with direct analysis in real time ionization to rapidly screen these samples qualitatively, with results in as little as five seconds, with no sample preparation required. This allows the more time and resource intensive method to be reserved for those rare cases when these compounds are detected, potentially greatly improving laboratory efficiency. The technique was evaluated for qualitative sensitivity and repeatability, and compared against the GC-FID method. The method appears to perform well against these metrics.},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Self, Randy L.},\n\tyear = {2013},\n\tkeywords = {Diethylene glycol, Direct analysis in real time, Ethylene glycol, Glycerin, Orbitrap},\n}\n\n\n\n
\n
\n\n\n
\n In 2007, the United States Food and Drug Administration released guidance recommending testing of glycerin used in regulated consumer products, such as cough syrup preparations, toothpaste, and other pharmaceutical and food products, for the toxic compounds ethylene glycol and diethylene glycol. Regulatory laboratories routinely test glycerin, and products containing glycerin or related compounds for these toxic glycols, using an official gas chromatographic method, to ensure the safety of these products. The current work describes a companion technique to compliment this GC-FID method utilizing Orbitrap mass spectrometry with direct analysis in real time ionization to rapidly screen these samples qualitatively, with results in as little as five seconds, with no sample preparation required. This allows the more time and resource intensive method to be reserved for those rare cases when these compounds are detected, potentially greatly improving laboratory efficiency. The technique was evaluated for qualitative sensitivity and repeatability, and compared against the GC-FID method. The method appears to perform well against these metrics.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART®) Ionization as a Tool for Rapid Screening and Characterization of Black Cohosh (Actaea racemosa) by MS Fingerprints.\n \n \n \n\n\n \n Crawford, E; Goguen, R; LaPointe, J; and Musselman, B\n\n\n \n\n\n\n Planta Med, 79(05): P117. 2013.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{crawford_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}®) {Ionization} as a {Tool} for {Rapid} {Screening} and {Characterization} of {Black} {Cohosh} ({Actaea} racemosa) by {MS} {Fingerprints}},\n\tvolume = {79},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0033-1336559},\n\tabstract = {Characterization of herbal dietary supplements has increasingly become a focus for regulatory bodies. In this study we have used a Direct Analysis in Real Time (DART) ambient ionization mass spectrometry method to characterize the major ionizable components in Black Cohosh (Actaea racemosa). Analysis of both the raw natural product and several commercial products labeled as containing Black Cohosh yielded wide variation in the mass spectral composition across the products. In order to permit more uniform sampling we choose to investigate quick extraction protocols with 0.1N acid, 0.1N base, and a published method for Black Cohosh sample prep [1]. The DART-MS experiment involves employing a thermal profile method for each extract using different gas temperatures (150 °C, 250 °C, and 350 °C) for desorption ionization and positive/negative ion mass spectrometric detection. Ferulic acid and caffeic acid desorption were optimized at 250 °C in the negative ion mode. Carbohydrates were detected at 150 °C and 250 °C in the positive ion spectra from the raw plant materials; however, they were not detected in all commercial products. The 250 °C positive and negative ion spectra proved to yield a large number of ions and these spectra were designated as the MS Fingerprint data. These MS Fingerprints were subsequently subjected to analysis using a statistical spectral matching program for automated chemometric analysis of the samples for differentiation.},\n\tlanguage = {EN},\n\tnumber = {05},\n\tjournal = {Planta Med},\n\tauthor = {Crawford, E and Goguen, R and LaPointe, J and Musselman, B},\n\tyear = {2013},\n\tpages = {P117},\n}\n\n\n\n
\n
\n\n\n
\n Characterization of herbal dietary supplements has increasingly become a focus for regulatory bodies. In this study we have used a Direct Analysis in Real Time (DART) ambient ionization mass spectrometry method to characterize the major ionizable components in Black Cohosh (Actaea racemosa). Analysis of both the raw natural product and several commercial products labeled as containing Black Cohosh yielded wide variation in the mass spectral composition across the products. In order to permit more uniform sampling we choose to investigate quick extraction protocols with 0.1N acid, 0.1N base, and a published method for Black Cohosh sample prep [1]. The DART-MS experiment involves employing a thermal profile method for each extract using different gas temperatures (150 °C, 250 °C, and 350 °C) for desorption ionization and positive/negative ion mass spectrometric detection. Ferulic acid and caffeic acid desorption were optimized at 250 °C in the negative ion mode. Carbohydrates were detected at 150 °C and 250 °C in the positive ion spectra from the raw plant materials; however, they were not detected in all commercial products. The 250 °C positive and negative ion spectra proved to yield a large number of ions and these spectra were designated as the MS Fingerprint data. These MS Fingerprints were subsequently subjected to analysis using a statistical spectral matching program for automated chemometric analysis of the samples for differentiation.\n
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\n \n\n \n \n \n \n \n \n Mass spectrometry-based metabolomic fingerprinting for screening cold tolerance in Arabidopsis thaliana accessions.\n \n \n \n \n\n\n \n Vaclavik, L.; Mishra, A.; Mishra, K.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–13. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MassPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{vaclavik_mass_2013,\n\ttitle = {Mass spectrometry-based metabolomic fingerprinting for screening cold tolerance in {Arabidopsis} thaliana accessions},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-6692-1},\n\tdoi = {10.1007/s00216-012-6692-1},\n\tabstract = {The availability of rapid and reliable tools for monitoring of plants’ cold tolerance is a prerequisite for research aimed at breeding of cold-tolerant crop plants. Therefore, we have tested the capacity of metabolomics-based methods employing ultra-high-performance liquid chromatography (UHPLC)–mass spectrometry and direct analysis in real time–mass spectrometry for high-throughput screening of cold tolerance in eight differentially cold-tolerant accessions of Arabidopsis thaliana. Metabolomic fingerprinting of leaf tissues was performed in methanolic extracts for (1) 6-week-old non-acclimated (NAC) plants grown at room temperature, (2) NAC plants cold-acclimated (ACC) at 4 °C for 2 weeks, and (3) cold-acclimated plants given sub-zero-temperature treatments by slow cooling at −4 °C for 8 h. The generated chromatograms and mass spectra were processed with the use of multivariate statistical analysis employing principal component analysis (PCA) and linear discriminant analysis. The PCA of metabolomic fingerprints classified the investigated A. thaliana accessions into three categories with low, intermediate, and high cold tolerance for both the cold-acclimated and the sub-zero-temperature-treated plants. This indicates the potential application of metabolomics-based fingerprinting for measuring cold tolerance in the cold-acclimated state, i.e., without treating plants at freezing temperatures that is required by currently available methods. Furthermore, we employed UHPLC coupled to the quadrupole-time-of-flight mass spectrometry to identify characteristic metabolites in ACC state and found the abundance of gluconapin and flavon-3-ol glycosides, respectively, in the cold-sensitive and the cold-tolerant accessions.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Vaclavik, Lukas and Mishra, Anamika and Mishra, KumudB. and Hajslova, Jana},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {Arabidopsis thaliana, Chemometric analysis, Cold tolerance, DART–MS, LC–MS, Metabolomic fingerprinting},\n\tpages = {1--13},\n}\n\n\n\n
\n
\n\n\n
\n The availability of rapid and reliable tools for monitoring of plants’ cold tolerance is a prerequisite for research aimed at breeding of cold-tolerant crop plants. Therefore, we have tested the capacity of metabolomics-based methods employing ultra-high-performance liquid chromatography (UHPLC)–mass spectrometry and direct analysis in real time–mass spectrometry for high-throughput screening of cold tolerance in eight differentially cold-tolerant accessions of Arabidopsis thaliana. Metabolomic fingerprinting of leaf tissues was performed in methanolic extracts for (1) 6-week-old non-acclimated (NAC) plants grown at room temperature, (2) NAC plants cold-acclimated (ACC) at 4 °C for 2 weeks, and (3) cold-acclimated plants given sub-zero-temperature treatments by slow cooling at −4 °C for 8 h. The generated chromatograms and mass spectra were processed with the use of multivariate statistical analysis employing principal component analysis (PCA) and linear discriminant analysis. The PCA of metabolomic fingerprints classified the investigated A. thaliana accessions into three categories with low, intermediate, and high cold tolerance for both the cold-acclimated and the sub-zero-temperature-treated plants. This indicates the potential application of metabolomics-based fingerprinting for measuring cold tolerance in the cold-acclimated state, i.e., without treating plants at freezing temperatures that is required by currently available methods. Furthermore, we employed UHPLC coupled to the quadrupole-time-of-flight mass spectrometry to identify characteristic metabolites in ACC state and found the abundance of gluconapin and flavon-3-ol glycosides, respectively, in the cold-sensitive and the cold-tolerant accessions.\n
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\n \n\n \n \n \n \n \n \n Newborn screening of phenylketonuria using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Wang, C.; Zhu, H.; Cai, Z.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. February 2013.\n \n\n\n\n
\n\n\n\n \n \n \"NewbornPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wang_newborn_2013,\n\ttitle = {Newborn screening of phenylketonuria using direct analysis in real time ({DART}) mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6713-8},\n\tdoi = {10.1007/s00216-013-6713-8},\n\tabstract = {Phenylketonuria (PKU) is commonly included in the newborn screening panel of most countries, with various techniques being used for quantification of l-phenylalanine (Phe). To diagnose PKU as early as possible in newborn screening, a rapid and simple method of analysis was developed. Using direct analysis in real time (DART) ionization coupled with triple-quadrupole tandem mass spectrometry (TQ-MS/MS) and with use of a 12 DIP-it tip scanner autosampler in positive ion mode, we analyzed dried blood spot (DBS) samples from PKU newborns. The concentration of Phe was determined using multiple reaction monitoring mode with the nondeuterated internal standard N,N-dimethylphenylalanine. The results of the analysis of DBS samples from newborns indicated that the DART-TQ-MS/MS method is fast, accurate, and reproducible. The results prove that this assay as a newborn screen for PKU can be performed in 18 s per sample for the quantification of Phe in DBS samples. DART-TQ-MS/MS analysis of the Phe concentration in DBS samples allowed us to screen newborns for PKU. This innovative protocol is rapid and can be effectively applied on a routine basis to analyze a large number of samples in PKU newborn screening and PKU patient monitoring.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Wang, Chunyan and Zhu, Hongbin and Cai, Zongwei and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tmonth = feb,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time (DART) triple-quadrupole tandem mass spectrometry, Dried blood spot, Phenylalanine, Phenylketonuria},\n\tpages = {1--6},\n}\n\n\n\n
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\n Phenylketonuria (PKU) is commonly included in the newborn screening panel of most countries, with various techniques being used for quantification of l-phenylalanine (Phe). To diagnose PKU as early as possible in newborn screening, a rapid and simple method of analysis was developed. Using direct analysis in real time (DART) ionization coupled with triple-quadrupole tandem mass spectrometry (TQ-MS/MS) and with use of a 12 DIP-it tip scanner autosampler in positive ion mode, we analyzed dried blood spot (DBS) samples from PKU newborns. The concentration of Phe was determined using multiple reaction monitoring mode with the nondeuterated internal standard N,N-dimethylphenylalanine. The results of the analysis of DBS samples from newborns indicated that the DART-TQ-MS/MS method is fast, accurate, and reproducible. The results prove that this assay as a newborn screen for PKU can be performed in 18 s per sample for the quantification of Phe in DBS samples. DART-TQ-MS/MS analysis of the Phe concentration in DBS samples allowed us to screen newborns for PKU. This innovative protocol is rapid and can be effectively applied on a routine basis to analyze a large number of samples in PKU newborn screening and PKU patient monitoring.\n
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\n \n\n \n \n \n \n \n \n The Classification of Inkjet Inks Using AccuTOF™DART™ (Direct Analysis in Real Time) Mass Spectrometry—A Preliminary Study.\n \n \n \n \n\n\n \n Houlgrave, S.; LaPorte, G. M.; Stephens, J. C.; and Wilson, J. L.\n\n\n \n\n\n\n Journal of Forensic Sciences,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{houlgrave_classification_2013,\n\ttitle = {The {Classification} of {Inkjet} {Inks} {Using} {AccuTOF}™{DART}™ ({Direct} {Analysis} in {Real} {Time}) {Mass} {Spectrometry}—{A} {Preliminary} {Study}},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12048},\n\tdoi = {10.1111/1556-4029.12048},\n\tabstract = {A novel approach for the analysis of inkjet inks is being reported. A time-of-flight mass spectrometer, coupled with a Direct Analysis in Real Time (DART™) ion source (AccuTOF™ DART™), was used to determine if inkjet inks from various manufacturers and models of printers could be reliably differentiated, characterized, and identified. A total of 217 ink standards were analyzed. As inkjet printing often involves the use of multiple colors (e.g., cyan, magenta, yellow, and black) to form an image or text, two different approaches to creating a library of standards and sampling methods were evaluated for implementation in a standard operating procedure. This research will show that a microscopic examination of the region of interest is requisite to identify what colors were utilized during the printing process, prior to comparing with known standards. Finally, blind testing was administered with 10 unknown samples to assess the validity and accuracy of the methodology.},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Houlgrave, Stephanie and LaPorte, Gerald M. and Stephens, Joseph C. and Wilson, Justin L.},\n\tyear = {2013},\n\tkeywords = {DART™, Direct analysis in real time, forensic document examination, forensic science, ink analysis, inkjet inks, mass spectrometry, printers, questioned documents},\n\tpages = {n/a--n/a},\n}\n\n\n\n
\n
\n\n\n
\n A novel approach for the analysis of inkjet inks is being reported. A time-of-flight mass spectrometer, coupled with a Direct Analysis in Real Time (DART™) ion source (AccuTOF™ DART™), was used to determine if inkjet inks from various manufacturers and models of printers could be reliably differentiated, characterized, and identified. A total of 217 ink standards were analyzed. As inkjet printing often involves the use of multiple colors (e.g., cyan, magenta, yellow, and black) to form an image or text, two different approaches to creating a library of standards and sampling methods were evaluated for implementation in a standard operating procedure. This research will show that a microscopic examination of the region of interest is requisite to identify what colors were utilized during the printing process, prior to comparing with known standards. Finally, blind testing was administered with 10 unknown samples to assess the validity and accuracy of the methodology.\n
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\n \n\n \n \n \n \n \n \n Soft Ionization of Saturated Hydrocarbons, Alcohols and Nonpolar Compounds by Negative-Ion Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n \n\n\n \n Cody, R.; and Dane, A.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry,1–6. February 2013.\n \n\n\n\n
\n\n\n\n \n \n \"SoftPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cody_soft_2013,\n\ttitle = {Soft {Ionization} of {Saturated} {Hydrocarbons}, {Alcohols} and {Nonpolar} {Compounds} by {Negative}-{Ion} {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-012-0569-6},\n\tdoi = {10.1007/s13361-012-0569-6},\n\tabstract = {Large polarizable n-alkanes (approximately C18 and larger), alcohols, and other nonpolar compounds can be detected as negative ions when sample solutions are injected directly into the sampling orifice of the atmospheric pressure interface of the time-of-flight mass spectrometer with the direct analysis in real time (DART) ion source operating in negative-ion mode. The mass spectra are dominated by peaks corresponding to [M + O2]‾•. No fragmentation is observed, making this a very soft ionization technique for samples that are otherwise difficult to analyze by DART. Detection limits for cholesterol were determined to be in the low nanogram range.},\n\tlanguage = {English},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Cody, RobertB. and Dane, A.John},\n\tmonth = feb,\n\tyear = {2013},\n\tkeywords = {Alcohols, Alkanes, Ambient, Cholesterol, DART, Direct analysis in real time, Hydrocarbons, Ionization, Negative ions, Triglycerides},\n\tpages = {1--6},\n}\n\n\n\n
\n
\n\n\n
\n Large polarizable n-alkanes (approximately C18 and larger), alcohols, and other nonpolar compounds can be detected as negative ions when sample solutions are injected directly into the sampling orifice of the atmospheric pressure interface of the time-of-flight mass spectrometer with the direct analysis in real time (DART) ion source operating in negative-ion mode. The mass spectra are dominated by peaks corresponding to [M + O2]‾•. No fragmentation is observed, making this a very soft ionization technique for samples that are otherwise difficult to analyze by DART. Detection limits for cholesterol were determined to be in the low nanogram range.\n
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\n \n\n \n \n \n \n \n \n Direct Peel Monitoring of Xenobiotics in Fruit by Direct Analysis in Real-Time Coupled to a Linear Quadrupole Ion Trap-Orbitrap Mass Spectrometer.\n \n \n \n \n\n\n \n Farré, M.; Pico, Y.; and Barcelo, D.\n\n\n \n\n\n\n Analytical Chemistry. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{farre_direct_2013,\n\ttitle = {Direct {Peel} {Monitoring} of {Xenobiotics} in {Fruit} by {Direct} {Analysis} in {Real}-{Time} {Coupled} to a {Linear} {Quadrupole} {Ion} {Trap}-{Orbitrap} {Mass} {Spectrometer}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3026702},\n\tdoi = {10.1021/ac3026702},\n\tabstract = {Study of xenobiotics present in fruits peel by exposing it (without any pre-treatment) to direct analysis in real time coupled to a high resolution orbitrap mass spectrometer (DART-HRMS) is reported for the first time. Variables as DART gas heater temperature and pressure, source-to-MS distance and sample velocity are investigated. The analysis of one sample by DART-MS lasts ca. 1 min, and the benefits of both high-resolution and tandem mass spectrometry to elucidate non-target or unknown compounds are combined. Identification of post-harvest fungicides, antioxidants and sugars in fruit peel is performed in the positive ion mode. Possible elemental formula is suggested for marker components. The lowest imazalil concentration that could be detected by this system is 1 ng (equivalent to a concentration of ca. 300 µg kg-1), which is well-below the maximum residue limit. For oranges and apples, direct peel exposition demonstrated good interday precision (within 20 \\% for any concentration) and proper linearity (R2≥0.99), with a dynamic range from 1 to 2500 ng for apple. A comparison of the results obtained using the direct peel screening DART-based method is made with those obtained by DART analysis of solvent extracts, as well as those obtained analyzing these extracts by Ultra High Performance Liquid Chromatography Orbitrap Mass Spectrometry (UHPLC-Orbitrap). The results are in good agreement. Thus, the proposed method proves to be quantitatively accurate with indisputable identification specificity. As an independent method, the approach of direct scanning of peel is of high interest and of potential future within food analysis to guarantee safety, quality and authenticity. ?},\n\turldate = {2013-02-05},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Farré, Marinella and Pico, Yolanda and Barcelo, Damia},\n\tmonth = jan,\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Study of xenobiotics present in fruits peel by exposing it (without any pre-treatment) to direct analysis in real time coupled to a high resolution orbitrap mass spectrometer (DART-HRMS) is reported for the first time. Variables as DART gas heater temperature and pressure, source-to-MS distance and sample velocity are investigated. The analysis of one sample by DART-MS lasts ca. 1 min, and the benefits of both high-resolution and tandem mass spectrometry to elucidate non-target or unknown compounds are combined. Identification of post-harvest fungicides, antioxidants and sugars in fruit peel is performed in the positive ion mode. Possible elemental formula is suggested for marker components. The lowest imazalil concentration that could be detected by this system is 1 ng (equivalent to a concentration of ca. 300 µg kg-1), which is well-below the maximum residue limit. For oranges and apples, direct peel exposition demonstrated good interday precision (within 20 % for any concentration) and proper linearity (R2≥0.99), with a dynamic range from 1 to 2500 ng for apple. A comparison of the results obtained using the direct peel screening DART-based method is made with those obtained by DART analysis of solvent extracts, as well as those obtained analyzing these extracts by Ultra High Performance Liquid Chromatography Orbitrap Mass Spectrometry (UHPLC-Orbitrap). The results are in good agreement. Thus, the proposed method proves to be quantitatively accurate with indisputable identification specificity. As an independent method, the approach of direct scanning of peel is of high interest and of potential future within food analysis to guarantee safety, quality and authenticity. ?\n
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\n \n\n \n \n \n \n \n \n Rapid determination of 5-hydroxymethylfurfural by DART ionization with time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Rajchl, A.; Drgová, L.; Grégrová, A.; Čížková, H.; Ševčík, R.; and Voldřich, M.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–9. March 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rajchl_rapid_2013,\n\ttitle = {Rapid determination of 5-hydroxymethylfurfural by {DART} ionization with time-of-flight mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6875-4},\n\tdoi = {10.1007/s00216-013-6875-4},\n\tabstract = {DART (direct analysis in real time), a novel technique with wide potential for rapid screening analysis, coupled with high-resolution time-of-flight mass spectrometry (TOF-MS) has been used for quantitative analysis of 5-hydroxymethylfurfural (5-HMF), a typical temperature marker of food. The DART/TOF-MS method was optimised and validated. Quantification of 5-HMF was achieved by use of a stable isotope-labelled 5-HMF standard prepared from glucose. Formation of 5-HMF from saccharides, a potential source of overestimation of results, was evaluated. Forty-four real samples (honey and caramelised condensed sweetened milk) and 50 model samples of heated honey were analysed. The possibility of using DART for analysis of heated samples of honey was confirmed. HPLC and DART/TOF-MS methods for determination of 5-HMF were compared. The correlation equation between these methods was DART = 1.0287HPLC + 0.21340, R 2 = 0.9557. The DART/TOF-MS method has been proved to enable efficient and rapid determination of 5-HMF in a variety of food matrices, for example honey and caramel.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Rajchl, Aleš and Drgová, Ladislava and Grégrová, Adéla and Čížková, Helena and Ševčík, Rudolf and Voldřich, Michal},\n\tmonth = mar,\n\tyear = {2013},\n\tkeywords = {5-HMF, Caramel, DART, HPLC, Honey, TOF-MS},\n\tpages = {1--9},\n}\n\n\n\n
\n
\n\n\n
\n DART (direct analysis in real time), a novel technique with wide potential for rapid screening analysis, coupled with high-resolution time-of-flight mass spectrometry (TOF-MS) has been used for quantitative analysis of 5-hydroxymethylfurfural (5-HMF), a typical temperature marker of food. The DART/TOF-MS method was optimised and validated. Quantification of 5-HMF was achieved by use of a stable isotope-labelled 5-HMF standard prepared from glucose. Formation of 5-HMF from saccharides, a potential source of overestimation of results, was evaluated. Forty-four real samples (honey and caramelised condensed sweetened milk) and 50 model samples of heated honey were analysed. The possibility of using DART for analysis of heated samples of honey was confirmed. HPLC and DART/TOF-MS methods for determination of 5-HMF were compared. The correlation equation between these methods was DART = 1.0287HPLC + 0.21340, R 2 = 0.9557. The DART/TOF-MS method has been proved to enable efficient and rapid determination of 5-HMF in a variety of food matrices, for example honey and caramel.\n
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\n \n\n \n \n \n \n \n \n Monitoring batch-to-batch reproducibility using direct analysis in real time mass spectrometry and multivariate analysis: A case study on precipitation.\n \n \n \n \n\n\n \n Zeng, S.; Chen, T.; Wang, L.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 76(0): 87–95. March 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MonitoringPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zeng_monitoring_2013,\n\ttitle = {Monitoring batch-to-batch reproducibility using direct analysis in real time mass spectrometry and multivariate analysis: {A} case study on precipitation},\n\tvolume = {76},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708512006863},\n\tdoi = {10.1016/j.jpba.2012.12.014},\n\tabstract = {Batch-to-batch variability of traditional Chinese medicine (TCM) has already heavily limited its industrial development. By utilizing direct analysis in real time mass spectrometry (DART-MS) and multivariate statistical analysis, the present study introduced a novel and rapid methodology for TCM manufacturing process monitoring. Danshen alkaline precipitation was employed as an example operating unit to demonstrate the effectiveness of this new technique. A total of 15 batches run under normal operating conditions were used to develop a reference principal component analysis model and then enabled the establishment of multivariate control charts. Hotteling T2 and DModX charts were applied to examine batch-to-batch reproducibility of 12 test batches. Artificial variations including starting material change and process fault were identified, which was in a good agreement with conventional analysis result. Further understanding of the deviating process behavior was achieved by investigating the contribution plot of abnormal batches. The results showed that DART-MS, in conjunction with multivariate analysis, provided valuable information on model process and gave us a new perspective for TCM manufacturing process monitoring.},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Zeng, Shanshan and Chen, Teng and Wang, Lu and Qu, Haibin},\n\tmonth = mar,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Manufacturing process monitoring, Multivariate control charts, Traditional Chinese medicine, mass spectrometry},\n\tpages = {87--95},\n}\n\n\n\n
\n
\n\n\n
\n Batch-to-batch variability of traditional Chinese medicine (TCM) has already heavily limited its industrial development. By utilizing direct analysis in real time mass spectrometry (DART-MS) and multivariate statistical analysis, the present study introduced a novel and rapid methodology for TCM manufacturing process monitoring. Danshen alkaline precipitation was employed as an example operating unit to demonstrate the effectiveness of this new technique. A total of 15 batches run under normal operating conditions were used to develop a reference principal component analysis model and then enabled the establishment of multivariate control charts. Hotteling T2 and DModX charts were applied to examine batch-to-batch reproducibility of 12 test batches. Artificial variations including starting material change and process fault were identified, which was in a good agreement with conventional analysis result. Further understanding of the deviating process behavior was achieved by investigating the contribution plot of abnormal batches. The results showed that DART-MS, in conjunction with multivariate analysis, provided valuable information on model process and gave us a new perspective for TCM manufacturing process monitoring.\n
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\n \n\n \n \n \n \n \n \n Non-visible print set-off of photoinitiators in food packaging: detection by ambient ionization mass spectrometry.\n \n \n \n \n\n\n \n Bentayeb, K.; Ackerman, L.; Lord, T.; and Begley, T.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A,null–null. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Non-visiblePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bentayeb_non-visible_2013,\n\ttitle = {Non-visible print set-off of photoinitiators in food packaging: detection by ambient ionization mass spectrometry},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2012.762694},\n\tdoi = {10.1080/19440049.2012.762694},\n\tabstract = {Abstract Direct Analysis in Real Time coupled to Time of Flight Mass Spectrometry (DART/TOF-MS) was used to detect the non-visible set-off of photoinitiators on the food contact surface of three different packages. The samples were intentionally under-cured to provoke set-off. Twelve commercially available photoinitiators were included in the ink formulations including α?amino-, morpholino, and α?hydroxy benzophenones, thioxanthones, aryl-phosphine oxide and three polymeric versions of these. Major colors of the packages' prints were analyzed, as well as the specific areas of the inner surface in contact with them. Larger quantities of photoinitiators were detected on the food contact areas in contact with the darker colors of the images. Speed-cure 7005 and 4-phenylbenzophenone were the compounds most susceptible to set-off in each of the samples by DART response. An identification protocol for unknown set-off compounds was tested resulting in the set-off detection of diethylene glycol ethers, erucamide and acrylates, and confirmed by solvent extraction GC-MS analysis. Finally, DART/TOF-MS was scanned across transects of the food contact side of packages to map the presence of photoinitiators. Higher photoinitiator signals were observed in patterns corresponding to the printed image, suggesting DART/TOF-MS might ?image? print set-off.},\n\turldate = {2013-01-14},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Bentayeb, K. and Ackerman, L.K. and Lord, T. and Begley, T.H.},\n\tmonth = jan,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Abstract Direct Analysis in Real Time coupled to Time of Flight Mass Spectrometry (DART/TOF-MS) was used to detect the non-visible set-off of photoinitiators on the food contact surface of three different packages. The samples were intentionally under-cured to provoke set-off. Twelve commercially available photoinitiators were included in the ink formulations including α?amino-, morpholino, and α?hydroxy benzophenones, thioxanthones, aryl-phosphine oxide and three polymeric versions of these. Major colors of the packages' prints were analyzed, as well as the specific areas of the inner surface in contact with them. Larger quantities of photoinitiators were detected on the food contact areas in contact with the darker colors of the images. Speed-cure 7005 and 4-phenylbenzophenone were the compounds most susceptible to set-off in each of the samples by DART response. An identification protocol for unknown set-off compounds was tested resulting in the set-off detection of diethylene glycol ethers, erucamide and acrylates, and confirmed by solvent extraction GC-MS analysis. Finally, DART/TOF-MS was scanned across transects of the food contact side of packages to map the presence of photoinitiators. Higher photoinitiator signals were observed in patterns corresponding to the printed image, suggesting DART/TOF-MS might ?image? print set-off.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time high-resolution mass spectrometry for high-throughput analysis of antiparasitic veterinary drugs in feed and food.\n \n \n \n \n\n\n \n Martínez-Villalba, A.; Vaclavik, L.; Moyano, E.; Galceran, M. T.; and Hajslova, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(3): 467–475. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{martinez-villalba_direct_2013,\n\ttitle = {Direct analysis in real time high-resolution mass spectrometry for high-throughput analysis of antiparasitic veterinary drugs in feed and food},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6466},\n\tdoi = {10.1002/rcm.6466},\n\tabstract = {RATIONALE \n \nDirect analysis in real time (DART) is a novel ionization technique that has been demonstrated in numerous applications as a useful tool for fast and convenient mass spectrometry (MS)-based analysis of complex samples. In this study, the feasibility of DART ionization coupled to a high-resolution mass spectrometer utilizing an orbitrap mass analyzer (orbitrap MS) for high-throughput analysis of antiparasitic veterinary drugs was explored. \n \nMETHODS \n \nTo obtain the best DART-orbitrap MS performance, stepwise optimization of instrumental parameter settings, such as ionization gas temperature and mass resolving power, was performed. The optimized method was applied to feed and bovine milk samples previously extracted following a QuEChERS-like strategy. \n \nRESULTS \n \nMost antiparasitic drugs could be analyzed following the described method. Positive DART ionization provided the protonated molecules [M+H]+; in negative DART ion mode, deprotonated molecules [M–H]– were observed. As an exception, polyether ionophores could be observed as the sodiated adducts [M+Na]+. Samples of milk and feed were extracted using a modified QuEChERS method for the determination of benzimidazoles and coccidiostats respectively and quantification was carried out by matrix-matched calibration curves. \n \nCONCLUSIONS \n \nThe combination of an analysis time of less than 1 min per sample and the possibility to acquire accurate masses under high mass resolving power (HR) makes the DART-HRMS technique an effective tool for rapid qualitative screening of antiparasitic veterinary drugs. Additionally, the results obtained in this study demonstrated the feasibility of this approach to quantify target analytes at levels down to 1 µg kg–1 for benzimidazolic compounds in milk and 0.25 mg kg–1 for coccidiostats in chicken feed. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Martínez-Villalba, Anna and Vaclavik, Lukas and Moyano, Encarnación and Galceran, Maria Teresa and Hajslova, Jana},\n\tyear = {2013},\n\tpages = {467--475},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Direct analysis in real time (DART) is a novel ionization technique that has been demonstrated in numerous applications as a useful tool for fast and convenient mass spectrometry (MS)-based analysis of complex samples. In this study, the feasibility of DART ionization coupled to a high-resolution mass spectrometer utilizing an orbitrap mass analyzer (orbitrap MS) for high-throughput analysis of antiparasitic veterinary drugs was explored. METHODS To obtain the best DART-orbitrap MS performance, stepwise optimization of instrumental parameter settings, such as ionization gas temperature and mass resolving power, was performed. The optimized method was applied to feed and bovine milk samples previously extracted following a QuEChERS-like strategy. RESULTS Most antiparasitic drugs could be analyzed following the described method. Positive DART ionization provided the protonated molecules [M+H]+; in negative DART ion mode, deprotonated molecules [M–H]– were observed. As an exception, polyether ionophores could be observed as the sodiated adducts [M+Na]+. Samples of milk and feed were extracted using a modified QuEChERS method for the determination of benzimidazoles and coccidiostats respectively and quantification was carried out by matrix-matched calibration curves. CONCLUSIONS The combination of an analysis time of less than 1 min per sample and the possibility to acquire accurate masses under high mass resolving power (HR) makes the DART-HRMS technique an effective tool for rapid qualitative screening of antiparasitic veterinary drugs. Additionally, the results obtained in this study demonstrated the feasibility of this approach to quantify target analytes at levels down to 1 µg kg–1 for benzimidazolic compounds in milk and 0.25 mg kg–1 for coccidiostats in chicken feed. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Electro-Thermal Vaporization Direct Analysis in Real Time-Mass Spectrometry for Water Contaminant Analysis during Space Missions.\n \n \n \n \n\n\n \n Dwivedi, P.; Gazda, D. B.; Keelor, J. D.; Limero, T. F.; Wallace, W. T.; Macatangay, A. V.; and Fernández, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 85(20): 9898–9906. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Electro-ThermalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{dwivedi_electro-thermal_2013,\n\ttitle = {Electro-{Thermal} {Vaporization} {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry} for {Water} {Contaminant} {Analysis} during {Space} {Missions}},\n\tvolume = {85},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac402365k},\n\tdoi = {10.1021/ac402365k},\n\tabstract = {The development of a direct analysis in real time-mass spectrometry (DART-MS) method and first prototype vaporizer for the detection of low molecular weight (?30?100 Da) contaminants representative of those detected in water samples from the International Space Station is reported. A temperature-programmable, electro-thermal vaporizer (ETV) was designed, constructed, and evaluated as a sampling interface for DART-MS. The ETV facilitates analysis of water samples with minimum user intervention while maximizing analytical sensitivity and sample throughput. The integrated DART-ETV-MS methodology was evaluated in both positive and negative ion modes to (1) determine experimental conditions suitable for coupling DART with ETV as a sample inlet and ionization platform for time-of-flight MS, (2) to identify analyte response ions, (3) to determine the detection limit and dynamic range for target analyte measurement, and (4) to determine the reproducibility of measurements made with the method when using manual sample introduction into the vaporizer. Nitrogen was used as the DART working gas, and the target analytes chosen for the study were ethyl acetate, acetone, acetaldehyde, ethanol, ethylene glycol, dimethylsilanediol, formaldehyde, isopropanol, methanol, methylethyl ketone, methylsulfone, propylene glycol, and trimethylsilanol.},\n\tnumber = {20},\n\turldate = {2013-11-25},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Dwivedi, Prabha and Gazda, Daniel B. and Keelor, Joel D. and Limero, Thomas F. and Wallace, William T. and Macatangay, Ariel V. and Fernández, Facundo M.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {9898--9906},\n}\n\n\n\n
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\n The development of a direct analysis in real time-mass spectrometry (DART-MS) method and first prototype vaporizer for the detection of low molecular weight (?30?100 Da) contaminants representative of those detected in water samples from the International Space Station is reported. A temperature-programmable, electro-thermal vaporizer (ETV) was designed, constructed, and evaluated as a sampling interface for DART-MS. The ETV facilitates analysis of water samples with minimum user intervention while maximizing analytical sensitivity and sample throughput. The integrated DART-ETV-MS methodology was evaluated in both positive and negative ion modes to (1) determine experimental conditions suitable for coupling DART with ETV as a sample inlet and ionization platform for time-of-flight MS, (2) to identify analyte response ions, (3) to determine the detection limit and dynamic range for target analyte measurement, and (4) to determine the reproducibility of measurements made with the method when using manual sample introduction into the vaporizer. Nitrogen was used as the DART working gas, and the target analytes chosen for the study were ethyl acetate, acetone, acetaldehyde, ethanol, ethylene glycol, dimethylsilanediol, formaldehyde, isopropanol, methanol, methylethyl ketone, methylsulfone, propylene glycol, and trimethylsilanol.\n
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\n \n\n \n \n \n \n \n \n Semi-quantitative analysis of contaminants in soils by direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(2): 305–318. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Semi-quantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{grange_semi-quantitative_2013,\n\ttitle = {Semi-quantitative analysis of contaminants in soils by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6450},\n\tdoi = {10.1002/rcm.6450},\n\tabstract = {RATIONALE \n \nCleaning up contaminated sites is a goal of the U.S. Environmental Protection Agency (EPA). A simple, high-throughput, inexpensive, selective, and specific screening method for semi-volatile, polar organic contaminants would provide high spatial resolution for monitoring remediation and for documenting successful clean ups in numerous Superfund, Brownfield, and other contaminated sites. \n \nMETHODS \n \nAn autosampler/Direct Analysis in Real Time (DART)/time-of-flight (TOF) mass spectrometer, with or without a Vapur® evacuated flange, was used to analyze 0.01–33\\% levels of aspirin, diphenylamine, and pentachlorophenol mixed with soil. Triplicate water-soaked swabs were manually rotated in wet analyte:soil mixtures, air dried for 2–3 h, and analyzed directly. To minimize carryover, insensitive and sensitive instrumental conditions were used to analyze high and low analyte levels, respectively. Simulated two-dimensional (2D) mapping and remediation threshold experiments were performed to test the utility of DART-TOFMS for possible sampling strategies. \n \nRESULTS \n \nAnalyte levels differing by factors of 10 were discernible. Data were acquired for 30 swabs in 0.9 min and 3 min with helium stream temperatures of 150 °C and 250 °C and swab transport velocities of 1.45 cm/s and 0.5 cm/s, respectively. With the Vapur flange attached, the average relative standard deviations (RSDs) (n = 3) were between 16\\% and 40\\% for different analytes and analyte levels. Carryover was greatly reduced by removing the Vapur flange, but higher RSDs and occasional plugging of the cone orifice were observed. \n \nCONCLUSIONS \n \nA rapid, simple, rugged, and relatively inexpensive, but selective and sufficiently sensitive, semi-quantitative screening method for semi-volatile, polar, organic compounds in soil was demonstrated. The technique would provide the high spatial resolution necessary to find localized areas of high contamination within contaminated sites that might pose a risk to human and ecological health. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {2},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H.},\n\tmonth = jan,\n\tyear = {2013},\n\tpages = {305--318},\n}\n\n\n\n
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\n RATIONALE Cleaning up contaminated sites is a goal of the U.S. Environmental Protection Agency (EPA). A simple, high-throughput, inexpensive, selective, and specific screening method for semi-volatile, polar organic contaminants would provide high spatial resolution for monitoring remediation and for documenting successful clean ups in numerous Superfund, Brownfield, and other contaminated sites. METHODS An autosampler/Direct Analysis in Real Time (DART)/time-of-flight (TOF) mass spectrometer, with or without a Vapur® evacuated flange, was used to analyze 0.01–33% levels of aspirin, diphenylamine, and pentachlorophenol mixed with soil. Triplicate water-soaked swabs were manually rotated in wet analyte:soil mixtures, air dried for 2–3 h, and analyzed directly. To minimize carryover, insensitive and sensitive instrumental conditions were used to analyze high and low analyte levels, respectively. Simulated two-dimensional (2D) mapping and remediation threshold experiments were performed to test the utility of DART-TOFMS for possible sampling strategies. RESULTS Analyte levels differing by factors of 10 were discernible. Data were acquired for 30 swabs in 0.9 min and 3 min with helium stream temperatures of 150 °C and 250 °C and swab transport velocities of 1.45 cm/s and 0.5 cm/s, respectively. With the Vapur flange attached, the average relative standard deviations (RSDs) (n = 3) were between 16% and 40% for different analytes and analyte levels. Carryover was greatly reduced by removing the Vapur flange, but higher RSDs and occasional plugging of the cone orifice were observed. CONCLUSIONS A rapid, simple, rugged, and relatively inexpensive, but selective and sufficiently sensitive, semi-quantitative screening method for semi-volatile, polar, organic compounds in soil was demonstrated. The technique would provide the high spatial resolution necessary to find localized areas of high contamination within contaminated sites that might pose a risk to human and ecological health. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry of covalently bound organic monolayers.\n \n \n \n \n\n\n \n Manova, R. K.; Claassen, F. W.; Nielen, M. W. F.; Zuilhof, H.; and van Beek, T. A.\n\n\n \n\n\n\n Chemical Communications. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{manova_ambient_2013,\n\ttitle = {Ambient mass spectrometry of covalently bound organic monolayers},\n\tissn = {1359-7345},\n\turl = {http://dx.doi.org/10.1039/C2CC37605A},\n\tabstract = {Detailed molecular analysis by Direct Analysis in Real Time High Resolution Mass Spectrometry (DART-HRMS) of ester and amide-terminated monolayers is demonstrated. The structural information obtained allowed monitoring of the progress of a 4-step surface modification.},\n\tjournal = {Chemical Communications},\n\tauthor = {Manova, Radostina K. and Claassen, Frank W. and Nielen, Michel W. F. and Zuilhof, Han and van Beek, Teris A.},\n\tyear = {2013},\n}\n\n\n\n
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\n Detailed molecular analysis by Direct Analysis in Real Time High Resolution Mass Spectrometry (DART-HRMS) of ester and amide-terminated monolayers is demonstrated. The structural information obtained allowed monitoring of the progress of a 4-step surface modification.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time ionization/quadrupole time-of-flight tandem mass spectrometry for rapid identification of iridoids glycosides and caffeoylquinic acids in Re Du Ning Injections.\n \n \n \n \n\n\n \n Li, Y.; Wang, Z.; Bi, Y.; Ding, G.; Sheng, L.; Brian, M.; Zhang, C.; Chen; and Xiao, W.\n\n\n \n\n\n\n Analytical Methods. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{li_direct_2013,\n\ttitle = {Direct analysis in real time ionization/quadrupole time-of-flight tandem mass spectrometry for rapid identification of iridoids glycosides and caffeoylquinic acids in {Re} {Du} {Ning} {Injections}},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY41476K},\n\tdoi = {10.1039/C3AY41476K},\n\tabstract = {Here we report a rapid approach for qualitative analysis of iridoid glycosides and caffeoylquinic acids (CQAs) in Re Du Ning Injections using Direct Analysis in Real Time ionization source (DART) coupled to quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS). In this approach, DART/MS and DART MS/MS analysis in both negative and positive ion modes were performed to characterize two iridoid glycosides and six CQAs in reference solutions and Re Du Ning Injections. Fragmentation pathways of the two kinds of natural compounds were summarized. DART-MS tended to break down some labile bonds in di-CQAs, The di-CQAs yielded abundant fragment ions in the (-) mass scan spectra. Collision-induced dissociation techniques were used to fragment the precursor ions and the product ions. Moreover, differentiation of the isomers of CQAs was possible by using the relative peak abundance and characteristic ion species in MS/MS spectra. DART-MS was also employed to obtain a chemical fingerprint of Re Du Ning Injections for rapid qualitative analysis of this Chinese medicine preparation. DART/Q-TOF MS/MS has shown potential to be used as the real-time detection method for Re Du Ning Injections.},\n\tjournal = {Analytical Methods},\n\tauthor = {Li, Yan-Jing and Wang, Zhen-Zhong and Bi, Yu-An and Ding, Gang and Sheng, Long-Sheng and Brian, Musselman and Zhang, Chen-Feng and Chen and Xiao, Wei},\n\tyear = {2013},\n}\n\n\n\n
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\n Here we report a rapid approach for qualitative analysis of iridoid glycosides and caffeoylquinic acids (CQAs) in Re Du Ning Injections using Direct Analysis in Real Time ionization source (DART) coupled to quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS). In this approach, DART/MS and DART MS/MS analysis in both negative and positive ion modes were performed to characterize two iridoid glycosides and six CQAs in reference solutions and Re Du Ning Injections. Fragmentation pathways of the two kinds of natural compounds were summarized. DART-MS tended to break down some labile bonds in di-CQAs, The di-CQAs yielded abundant fragment ions in the (-) mass scan spectra. Collision-induced dissociation techniques were used to fragment the precursor ions and the product ions. Moreover, differentiation of the isomers of CQAs was possible by using the relative peak abundance and characteristic ion species in MS/MS spectra. DART-MS was also employed to obtain a chemical fingerprint of Re Du Ning Injections for rapid qualitative analysis of this Chinese medicine preparation. DART/Q-TOF MS/MS has shown potential to be used as the real-time detection method for Re Du Ning Injections.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time—a critical review on DART-MS.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 406(1): 63–80. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{gross_direct_2013,\n\ttitle = {Direct analysis in real time—a critical review on {DART}-{MS}},\n\tvolume = {406},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-7316-0},\n\tdoi = {10.1007/s00216-013-7316-0},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) has become an established technique for rapid mass spectral analysis of a large variety of samples. DART-MS is capable of analyzing the sample at atmospheric pressure, essentially in the open laboratory environment. DART-MS can be applied to compounds that have been deposited or adsorbed on to surfaces or that are being desorbed therefrom into the atmosphere. This makes DART-MS suitable and well-known for analysis of ingredients of plant materials, pesticide monitoring on vegetables, forensic and safety applications such as screening for traces of explosives, warfare agents, or illicit drugs on luggage, clothes, or bank notes, etc. DART can also be used for analysis of either solid or liquid bulk materials, as may be required in quality control, or to quickly investigate the identity of a compound from chemical synthesis. Even living organisms can be subjected to DART-MS. Driven by different needs in analytical practice, the combination of the DART ionization source and interface can be configured in multiple geometries and with various accessories to adapt the setup as required. Analysis by DART-MS relies on some sort of gas-phase ionization mechanism. In DART, initial generation of the ionizing species is by use of a corona discharge in a pure helium atmosphere which delivers excited helium atoms that, upon their release into the atmosphere, will initiate a cascade of gas-phase reactions. In the end, this results in reagent ions created from atmospheric water or (solvent) vapor in the vicinity of the surface subject to analysis where they effect a chemical ionization process. DART ionization processes may generate positive or negative ions, predominantly even-electron species, but odd-electron species do also occur. The prevailing process of analyte ion formation from a given sample is highly dependent on analyte properties.},\n\tlanguage = {English},\n\tnumber = {1},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Ambient mass spectrometry, DART, Direct analysis in real time, Ionization, Rapid screening},\n\tpages = {63--80},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) has become an established technique for rapid mass spectral analysis of a large variety of samples. DART-MS is capable of analyzing the sample at atmospheric pressure, essentially in the open laboratory environment. DART-MS can be applied to compounds that have been deposited or adsorbed on to surfaces or that are being desorbed therefrom into the atmosphere. This makes DART-MS suitable and well-known for analysis of ingredients of plant materials, pesticide monitoring on vegetables, forensic and safety applications such as screening for traces of explosives, warfare agents, or illicit drugs on luggage, clothes, or bank notes, etc. DART can also be used for analysis of either solid or liquid bulk materials, as may be required in quality control, or to quickly investigate the identity of a compound from chemical synthesis. Even living organisms can be subjected to DART-MS. Driven by different needs in analytical practice, the combination of the DART ionization source and interface can be configured in multiple geometries and with various accessories to adapt the setup as required. Analysis by DART-MS relies on some sort of gas-phase ionization mechanism. In DART, initial generation of the ionizing species is by use of a corona discharge in a pure helium atmosphere which delivers excited helium atoms that, upon their release into the atmosphere, will initiate a cascade of gas-phase reactions. In the end, this results in reagent ions created from atmospheric water or (solvent) vapor in the vicinity of the surface subject to analysis where they effect a chemical ionization process. DART ionization processes may generate positive or negative ions, predominantly even-electron species, but odd-electron species do also occur. The prevailing process of analyte ion formation from a given sample is highly dependent on analyte properties.\n
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\n \n\n \n \n \n \n \n \n Detection of Caffeine in Tea, Instant Coffee, Green Tea Beverage, and Soft Drink by Direct Analysis in Real Time (DART) Source Coupled to Single-Quadrupole Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, L.; Zhao, P.; Zhang, F.; Bai, A.; and Pan, C.\n\n\n \n\n\n\n Journal of AOAC International, 96(2): 353–356. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{wang_detection_2013,\n\ttitle = {Detection of {Caffeine} in {Tea}, {Instant} {Coffee}, {Green} {Tea} {Beverage}, and {Soft} {Drink} by {Direct} {Analysis} in {Real} {Time} ({DART}) {Source} {Coupled} to {Single}-{Quadrupole} {Mass} {Spectrometry}},\n\tvolume = {96},\n\turl = {http://www.ingentaconnect.com/content/aoac/jaoac/2013/00000096/00000002/art00021},\n\tdoi = {10.5740/jaoacint.12-160},\n\tabstract = {Ambient ionization direct analysis in real time (DART) coupled to single-quadrupole MS (DART-MS) was evaluated for rapid detection of caffeine in commercial samples without chromatographic separation or sample preparation. Four commercial samples were examined: tea, instant coffee, green tea beverage, and soft drink. The response-related parameters were optimized for the DART temperature and MS fragmentor. Under optimal conditions, the molecular ion (M+H)+ was the major ion for identification of caffeine. The results showed that DART-MS is a promising tool for the quick analysis of important marker molecules in commercial samples. Furthermore, this system has demonstrated significant potential for high sample throughput and real-time analysis.},\n\tnumber = {2},\n\tjournal = {Journal of AOAC International},\n\tauthor = {Wang, Lei and Zhao, Pengyue and Zhang, Fengzu and Bai, Aijuan and Pan, Canping},\n\tyear = {2013},\n\tpages = {353--356},\n}\n\n\n\n
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\n Ambient ionization direct analysis in real time (DART) coupled to single-quadrupole MS (DART-MS) was evaluated for rapid detection of caffeine in commercial samples without chromatographic separation or sample preparation. Four commercial samples were examined: tea, instant coffee, green tea beverage, and soft drink. The response-related parameters were optimized for the DART temperature and MS fragmentor. Under optimal conditions, the molecular ion (M+H)+ was the major ion for identification of caffeine. The results showed that DART-MS is a promising tool for the quick analysis of important marker molecules in commercial samples. Furthermore, this system has demonstrated significant potential for high sample throughput and real-time analysis.\n
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\n \n\n \n \n \n \n \n \n Application of direct analysis in real time ionization–mass spectrometry (DART–MS) in chicken meat metabolomics aiming at the retrospective control of feed fraud.\n \n \n \n \n\n\n \n Cajka, T.; Danhelova, H.; Zachariasova, M.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Metabolomics,1–13. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{cajka_application_2013,\n\ttitle = {Application of direct analysis in real time ionization–mass spectrometry ({DART}–{MS}) in chicken meat metabolomics aiming at the retrospective control of feed fraud},\n\tissn = {1573-3882},\n\turl = {http://dx.doi.org/10.1007/s11306-013-0495-z},\n\tdoi = {10.1007/s11306-013-0495-z},\n\tabstract = {Metabolomic fingerprinting enabled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium–high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a tool for differentiation between chickens fed by feed that contained 5–8 \\% (w/w) of chicken bone meal (a banned component) and those representing a reference group, i.e. grown otherwise under the same conditions. In the first step, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from chicken muscle and feed on which experimental animals were grown. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. In the next step, metabolomic fingerprints of a large set of chicken muscle and feed extracts were acquired. In the final phase, the experimental data were statistically evaluated using principal component analysis and orthogonal partial least squares discriminant analysis. In general, differentiation of chicken muscle according to diet (feed with and without the addition of chicken bone meal) was feasible. Additional experiments conducted after 6 months confirmed applicability of this approach. Correct classification was obtained based on the assessment of polar as well as non-polar extracts fingerprints. However, the analysis of non-polar extracts showed that the pattern of triacylglycerols is more prone to seasonal variability and/or type of raw materials used during feed preparation which obscures the bone meal impact to some extent.},\n\tlanguage = {English},\n\tjournal = {Metabolomics},\n\tauthor = {Cajka, Tomas and Danhelova, Hana and Zachariasova, Milena and Riddellova, Katerina and Hajslova, Jana},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {Authenticity, Chicken, Direct analysis in real time (DART), Feed, Metabolomic fingerprinting, mass spectrometry},\n\tpages = {1--13},\n}\n\n\n\n
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\n Metabolomic fingerprinting enabled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium–high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a tool for differentiation between chickens fed by feed that contained 5–8 % (w/w) of chicken bone meal (a banned component) and those representing a reference group, i.e. grown otherwise under the same conditions. In the first step, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from chicken muscle and feed on which experimental animals were grown. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. In the next step, metabolomic fingerprints of a large set of chicken muscle and feed extracts were acquired. In the final phase, the experimental data were statistically evaluated using principal component analysis and orthogonal partial least squares discriminant analysis. In general, differentiation of chicken muscle according to diet (feed with and without the addition of chicken bone meal) was feasible. Additional experiments conducted after 6 months confirmed applicability of this approach. Correct classification was obtained based on the assessment of polar as well as non-polar extracts fingerprints. However, the analysis of non-polar extracts showed that the pattern of triacylglycerols is more prone to seasonal variability and/or type of raw materials used during feed preparation which obscures the bone meal impact to some extent.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART®) Ionization as a Tool for Rapid Screening and Characterization of Black Cohosh (Actaea racemosa) by MS Fingerprints.\n \n \n \n\n\n \n Crawford, E; Goguen, R; LaPointe, J; and Musselman, B\n\n\n \n\n\n\n Planta Med, 79(05): P117. 2013.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{crawford_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}®) {Ionization} as a {Tool} for {Rapid} {Screening} and {Characterization} of {Black} {Cohosh} ({Actaea} racemosa) by {MS} {Fingerprints}},\n\tvolume = {79},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0033-1336559},\n\tabstract = {Characterization of herbal dietary supplements has increasingly become a focus for regulatory bodies. In this study we have used a Direct Analysis in Real Time (DART) ambient ionization mass spectrometry method to characterize the major ionizable components in Black Cohosh (Actaea racemosa). Analysis of both the raw natural product and several commercial products labeled as containing Black Cohosh yielded wide variation in the mass spectral composition across the products. In order to permit more uniform sampling we choose to investigate quick extraction protocols with 0.1N acid, 0.1N base, and a published method for Black Cohosh sample prep [1]. The DART-MS experiment involves employing a thermal profile method for each extract using different gas temperatures (150 °C, 250 °C, and 350 °C) for desorption ionization and positive/negative ion mass spectrometric detection. Ferulic acid and caffeic acid desorption were optimized at 250 °C in the negative ion mode. Carbohydrates were detected at 150 °C and 250 °C in the positive ion spectra from the raw plant materials; however, they were not detected in all commercial products. The 250 °C positive and negative ion spectra proved to yield a large number of ions and these spectra were designated as the MS Fingerprint data. These MS Fingerprints were subsequently subjected to analysis using a statistical spectral matching program for automated chemometric analysis of the samples for differentiation.},\n\tlanguage = {EN},\n\tnumber = {05},\n\tjournal = {Planta Med},\n\tauthor = {Crawford, E and Goguen, R and LaPointe, J and Musselman, B},\n\tyear = {2013},\n\tpages = {P117},\n}\n\n\n\n\n\n\n\n
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\n Characterization of herbal dietary supplements has increasingly become a focus for regulatory bodies. In this study we have used a Direct Analysis in Real Time (DART) ambient ionization mass spectrometry method to characterize the major ionizable components in Black Cohosh (Actaea racemosa). Analysis of both the raw natural product and several commercial products labeled as containing Black Cohosh yielded wide variation in the mass spectral composition across the products. In order to permit more uniform sampling we choose to investigate quick extraction protocols with 0.1N acid, 0.1N base, and a published method for Black Cohosh sample prep [1]. The DART-MS experiment involves employing a thermal profile method for each extract using different gas temperatures (150 °C, 250 °C, and 350 °C) for desorption ionization and positive/negative ion mass spectrometric detection. Ferulic acid and caffeic acid desorption were optimized at 250 °C in the negative ion mode. Carbohydrates were detected at 150 °C and 250 °C in the positive ion spectra from the raw plant materials; however, they were not detected in all commercial products. The 250 °C positive and negative ion spectra proved to yield a large number of ions and these spectra were designated as the MS Fingerprint data. These MS Fingerprints were subsequently subjected to analysis using a statistical spectral matching program for automated chemometric analysis of the samples for differentiation.\n
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\n \n\n \n \n \n \n \n \n Determination of cocaine and methadone in urine samples by thin-film solid-phase microextraction and direct analysis in real time (DART) coupled with tandem mass spectrometry.\n \n \n \n \n\n\n \n Rodriguez-Lafuente, A.; Mirnaghi, F.; and Pawliszyn, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–5. May 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rodriguez-lafuente_determination_2013,\n\ttitle = {Determination of cocaine and methadone in urine samples by thin-film solid-phase microextraction and direct analysis in real time ({DART}) coupled with tandem mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6993-z},\n\tdoi = {10.1007/s00216-013-6993-z},\n\tabstract = {The use of thin-film solid-phase microextraction (SPME) as the sampling preparation step before direct analysis in real time (DART) was evaluated for the determination of two prohibited doping substances, cocaine and methadone, in urine samples. Results showed that thin-film SPME improves the detectability of these compounds: signal-to-blank ratios of 5 (cocaine) and 13 (methadone) were obtained in the analysis of 0.5 ng/ml in human urine. Thin-film SPME also provides efficient sample cleanup, avoiding contamination of the ion source by salt residues from the urine samples. Extraction time was established in 10 min, thus providing relatively short analysis time and high throughput when combined with a 96-well shaker and coupled with DART technique.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Rodriguez-Lafuente, Angel and Mirnaghi, FatemehS. and Pawliszyn, Janusz},\n\tmonth = may,\n\tyear = {2013},\n\tkeywords = {DART, Doping, Thin-film SPME, Urine},\n\tpages = {1--5},\n}\n\n\n\n
\n
\n\n\n
\n The use of thin-film solid-phase microextraction (SPME) as the sampling preparation step before direct analysis in real time (DART) was evaluated for the determination of two prohibited doping substances, cocaine and methadone, in urine samples. Results showed that thin-film SPME improves the detectability of these compounds: signal-to-blank ratios of 5 (cocaine) and 13 (methadone) were obtained in the analysis of 0.5 ng/ml in human urine. Thin-film SPME also provides efficient sample cleanup, avoiding contamination of the ion source by salt residues from the urine samples. Extraction time was established in 10 min, thus providing relatively short analysis time and high throughput when combined with a 96-well shaker and coupled with DART technique.\n
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\n \n\n \n \n \n \n \n \n The Classification of Inkjet Inks Using AccuTOF™DART™ (Direct Analysis in Real Time) Mass Spectrometry—A Preliminary Study.\n \n \n \n \n\n\n \n Houlgrave, S.; LaPorte, G. M.; Stephens, J. C.; and Wilson, J. L.\n\n\n \n\n\n\n Journal of Forensic Sciences,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{houlgrave_classification_2013,\n\ttitle = {The {Classification} of {Inkjet} {Inks} {Using} {AccuTOF}™{DART}™ ({Direct} {Analysis} in {Real} {Time}) {Mass} {Spectrometry}—{A} {Preliminary} {Study}},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12048},\n\tdoi = {10.1111/1556-4029.12048},\n\tabstract = {A novel approach for the analysis of inkjet inks is being reported. A time-of-flight mass spectrometer, coupled with a Direct Analysis in Real Time (DART™) ion source (AccuTOF™ DART™), was used to determine if inkjet inks from various manufacturers and models of printers could be reliably differentiated, characterized, and identified. A total of 217 ink standards were analyzed. As inkjet printing often involves the use of multiple colors (e.g., cyan, magenta, yellow, and black) to form an image or text, two different approaches to creating a library of standards and sampling methods were evaluated for implementation in a standard operating procedure. This research will show that a microscopic examination of the region of interest is requisite to identify what colors were utilized during the printing process, prior to comparing with known standards. Finally, blind testing was administered with 10 unknown samples to assess the validity and accuracy of the methodology.},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Houlgrave, Stephanie and LaPorte, Gerald M. and Stephens, Joseph C. and Wilson, Justin L.},\n\tyear = {2013},\n\tkeywords = {DART™, Direct analysis in real time, forensic document examination, forensic science, ink analysis, inkjet inks, mass spectrometry, printers, questioned documents},\n\tpages = {n/a--n/a},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n A novel approach for the analysis of inkjet inks is being reported. A time-of-flight mass spectrometer, coupled with a Direct Analysis in Real Time (DART™) ion source (AccuTOF™ DART™), was used to determine if inkjet inks from various manufacturers and models of printers could be reliably differentiated, characterized, and identified. A total of 217 ink standards were analyzed. As inkjet printing often involves the use of multiple colors (e.g., cyan, magenta, yellow, and black) to form an image or text, two different approaches to creating a library of standards and sampling methods were evaluated for implementation in a standard operating procedure. This research will show that a microscopic examination of the region of interest is requisite to identify what colors were utilized during the printing process, prior to comparing with known standards. Finally, blind testing was administered with 10 unknown samples to assess the validity and accuracy of the methodology.\n
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\n \n\n \n \n \n \n \n \n Characterization of Blood in an Encrustation on an African Mask: Spectroscopic and Direct Analysis in Real Time Mass Spectrometric Identification of Haem.\n \n \n \n \n\n\n \n Fraser, D.; Selvius DeRoo, C.; Cody, R. B; and Armitage, R. A.\n\n\n \n\n\n\n Analyst. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fraser_characterization_2013,\n\ttitle = {Characterization of {Blood} in an {Encrustation} on an {African} {Mask}: {Spectroscopic} and {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometric} {Identification} of {Haem}},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00633F},\n\tdoi = {10.1039/C3AN00633F},\n\tabstract = {Prior to exhibiting an African Komo mask from the collections of the Detroit Institute of Arts, a multianalytical approach was undertaken to characterize the flaking encrusted coating on the surface of the mask. Preliminary XRF and FTIR examination of the coating on the Komo mask revealed the presence of significant quantities of iron and protein, possibly indicating the presence of blood. Raman spectroscopy showed evidence for the porphyrin structure of haem as well. To confirm that blood was indeed present in the coating, we developed a novel method for identifying the haem moiety from blood by use of in-situ methylation and direct analysis in real time mass spectrometry (DART-MS). Following a denaturing step with formic acid, the resulting solution was combined with an excess of phenyltrimethylammonium hydroxide to promote desorption, applied to a melting point tube, and placed into the Direct Analysis in Real Time ion source gas stream at 550 [degree]C. The permethylated haem ion (m/z 644.208) from myoglobin, haemoglobin, fresh blood, and blood aged in the laboratory for 10 years was readily observed above the background. By the described DART-TOF-MS method, permethylated haem was positively identified in the mask coating, confirming the presence of blood. This method has obvious utility in forensic science beyond that for identifying blood incorporated in cultural heritage materials.},\n\tjournal = {Analyst},\n\tauthor = {Fraser, Daniel and Selvius DeRoo, Cathy and Cody, Robert B and Armitage, Ruth Ann},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Prior to exhibiting an African Komo mask from the collections of the Detroit Institute of Arts, a multianalytical approach was undertaken to characterize the flaking encrusted coating on the surface of the mask. Preliminary XRF and FTIR examination of the coating on the Komo mask revealed the presence of significant quantities of iron and protein, possibly indicating the presence of blood. Raman spectroscopy showed evidence for the porphyrin structure of haem as well. To confirm that blood was indeed present in the coating, we developed a novel method for identifying the haem moiety from blood by use of in-situ methylation and direct analysis in real time mass spectrometry (DART-MS). Following a denaturing step with formic acid, the resulting solution was combined with an excess of phenyltrimethylammonium hydroxide to promote desorption, applied to a melting point tube, and placed into the Direct Analysis in Real Time ion source gas stream at 550 [degree]C. The permethylated haem ion (m/z 644.208) from myoglobin, haemoglobin, fresh blood, and blood aged in the laboratory for 10 years was readily observed above the background. By the described DART-TOF-MS method, permethylated haem was positively identified in the mask coating, confirming the presence of blood. This method has obvious utility in forensic science beyond that for identifying blood incorporated in cultural heritage materials.\n
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\n \n\n \n \n \n \n \n \n Fragmentation Behavior Studies of Chalcones Employing Direct Analysis in Real Time (DART).\n \n \n \n \n\n\n \n Rahman, M.; Attwa, M.; Ahmad, P.; Baseeruddin, M.; and Kadi, A.\n\n\n \n\n\n\n Mass Spectrometry Letters, 4: 30–33. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"FragmentationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{rahman_fragmentation_2013,\n\ttitle = {Fragmentation {Behavior} {Studies} of {Chalcones} {Employing} {Direct} {Analysis} in {Real} {Time} ({DART})},\n\tvolume = {4},\n\turl = {http://www.msletters.org},\n\tabstract = {Chalcones are naturally occurring, biologically active molecules generating interest from a wide range of research\napplications including synthetic methodology development, biological activity investigation and studying fragmentation patterns. In\nthis article, a series of chalcones has been synthesized and their fragmentation behavior was studied using modern ambient ionization\ntechnique Direct Analysis in Real Time (DART). DART ion source connected with an ion trap mass spectrometer was\nused for the fragmentation of various substituted chalcones. The chalcones were introduced to the DART source using a glass\ncapillary without sample preparation step. All the chalcones showed prominent molecular ion peaks [M]•+ corresponding to the\nstructures. Multistage mass spectral data MSn (MS2 and MS3) were collected for all the chalcones studied. The chalcones with\nsubstitutions at 3, 4 or 5 positions gave product ion peaks with the loss of a phenyl radical (Ph•) by radical initiated α-cleavage,\nwhile substitution at 2 position of chalcone in the A-ring gave a product ion peak with the loss of substituted styryl radical\n(PhCH = CH•). In case of the chalcones with the substituent at 4 positions in A and B rings gave both types of fragmentation patterns.\nIn conclusion, chalcones can be easily characterized using modern DART interface in very short time and efficiently\nwithout any cumbersome sample pretreatment.},\n\tjournal = {Mass Spectrometry Letters},\n\tauthor = {Rahman, Motiur and Attwa, Mohamed and Ahmad, Pervez and Baseeruddin, Mohammad and Kadi, Adnan},\n\tyear = {2013},\n\tpages = {30--33},\n}\n\n\n\n
\n
\n\n\n
\n Chalcones are naturally occurring, biologically active molecules generating interest from a wide range of research applications including synthetic methodology development, biological activity investigation and studying fragmentation patterns. In this article, a series of chalcones has been synthesized and their fragmentation behavior was studied using modern ambient ionization technique Direct Analysis in Real Time (DART). DART ion source connected with an ion trap mass spectrometer was used for the fragmentation of various substituted chalcones. The chalcones were introduced to the DART source using a glass capillary without sample preparation step. All the chalcones showed prominent molecular ion peaks [M]•+ corresponding to the structures. Multistage mass spectral data MSn (MS2 and MS3) were collected for all the chalcones studied. The chalcones with substitutions at 3, 4 or 5 positions gave product ion peaks with the loss of a phenyl radical (Ph•) by radical initiated α-cleavage, while substitution at 2 position of chalcone in the A-ring gave a product ion peak with the loss of substituted styryl radical (PhCH = CH•). In case of the chalcones with the substituent at 4 positions in A and B rings gave both types of fragmentation patterns. In conclusion, chalcones can be easily characterized using modern DART interface in very short time and efficiently without any cumbersome sample pretreatment.\n
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\n \n\n \n \n \n \n \n \n Rapid monitoring of heat-accelerated reactions in vegetable oils using direct analysis in real time ionization coupled with high resolution mass spectrometry.\n \n \n \n \n\n\n \n Vaclavik, L.; Belkova, B.; Reblova, Z.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Food Chemistry, 138(4): 2312–2320. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{vaclavik_rapid_2013,\n\ttitle = {Rapid monitoring of heat-accelerated reactions in vegetable oils using direct analysis in real time ionization coupled with high resolution mass spectrometry},\n\tvolume = {138},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814612019085},\n\tdoi = {10.1016/j.foodchem.2012.12.019},\n\tabstract = {Transmission-mode direct analysis in real time ionization coupled with high resolution mass spectrometry (TM-DART–HRMS) was used to monitor chemical changes in various vegetable oils (olive, rapeseed, soybean and sunflower oil) during their thermally-induced oxidation. This novel instrumental approach enabled rapid fingerprinting of examined samples and detection of numerous sample components, such as triacylglycerols (TAGs), phytosterols, free fatty acids (FFA), and their respective oxidation products. Mass spectra obtained from DART were processed with the use of principal component analysis (PCA) in order to assess the compositional differences between heated and non-heated samples. Good correlation was observed between the normalized intensities of the pre-selected ion corresponding to mono-oxidized TAG and ‘classic’ criterion represented by the levels of TAG polymers determined by high performance-size exclusion chromatography with refractometric detection (HP-SEC–RID).},\n\tnumber = {4},\n\tjournal = {Food Chemistry},\n\tauthor = {Vaclavik, Lukas and Belkova, Beverly and Reblova, Zuzana and Riddellova, Katerina and Hajslova, Jana},\n\tmonth = jun,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Heating, Oxidation, Vegetable oils, mass spectrometry},\n\tpages = {2312--2320},\n}\n\n\n\n
\n
\n\n\n
\n Transmission-mode direct analysis in real time ionization coupled with high resolution mass spectrometry (TM-DART–HRMS) was used to monitor chemical changes in various vegetable oils (olive, rapeseed, soybean and sunflower oil) during their thermally-induced oxidation. This novel instrumental approach enabled rapid fingerprinting of examined samples and detection of numerous sample components, such as triacylglycerols (TAGs), phytosterols, free fatty acids (FFA), and their respective oxidation products. Mass spectra obtained from DART were processed with the use of principal component analysis (PCA) in order to assess the compositional differences between heated and non-heated samples. Good correlation was observed between the normalized intensities of the pre-selected ion corresponding to mono-oxidized TAG and ‘classic’ criterion represented by the levels of TAG polymers determined by high performance-size exclusion chromatography with refractometric detection (HP-SEC–RID).\n
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\n \n\n \n \n \n \n \n \n Identification of saccharides by using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Wang, Y.; Liu, L.; Ma, L.; and Liu, S.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wang_identification_2013,\n\ttitle = {Identification of saccharides by using direct analysis in real time ({DART}) mass spectrometry},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380613003461},\n\tdoi = {10.1016/j.ijms.2013.09.008},\n\tabstract = {Abstract\nDirect analysis in real time (DART) coupled with quadrupole time-of-flight mass spectrometry (Q-TOF-MS) was applied to investigate the different types of saccharides including ginseng oligosaccharide extract with minimal sample pretreatment. Helium gas temperature into the DART ion source was adjusted to find optimal ionization temperature for glucose in increments of 50oC from 50oC to 450oC. It was observed that gas temperature had a significant effect on signal intensity in DART Mass Spectra. The temperature for the glucose ionization should be at least 150oC, and the signal intensity reached optimal ionization state at 250oC. With the increase of a sugar chain, a higher gas temperature was needed for saccharide ionization. Interestingly, sugar cluster formation can be observed at 450oC for disaccharides and trisaccharides. It is found that the [M +NH4]+ ions of trisaccharide and ginseng oligosaccharides can be rarely produced without any derivatization even at 450oC. All the samples except five carbon monosaccharides can generate the m/z 198 ion, so it is difficult to determine whether a m/z 198 ion is the [M + NH4]+ ion of glucose or merely a sample fragment ion most likely an ammoniated monosaccharide fragment.},\n\tnumber = {0},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Wang, Yang and Liu, Li and Ma, Li and Liu, Shuying},\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Sacchrides, gingseng extract},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Direct analysis in real time (DART) coupled with quadrupole time-of-flight mass spectrometry (Q-TOF-MS) was applied to investigate the different types of saccharides including ginseng oligosaccharide extract with minimal sample pretreatment. Helium gas temperature into the DART ion source was adjusted to find optimal ionization temperature for glucose in increments of 50oC from 50oC to 450oC. It was observed that gas temperature had a significant effect on signal intensity in DART Mass Spectra. The temperature for the glucose ionization should be at least 150oC, and the signal intensity reached optimal ionization state at 250oC. With the increase of a sugar chain, a higher gas temperature was needed for saccharide ionization. Interestingly, sugar cluster formation can be observed at 450oC for disaccharides and trisaccharides. It is found that the [M +NH4]+ ions of trisaccharide and ginseng oligosaccharides can be rarely produced without any derivatization even at 450oC. All the samples except five carbon monosaccharides can generate the m/z 198 ion, so it is difficult to determine whether a m/z 198 ion is the [M + NH4]+ ion of glucose or merely a sample fragment ion most likely an ammoniated monosaccharide fragment.\n
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\n \n\n \n \n \n \n \n \n Characterizations of the Extracts from Geting Bituminous Coal by Spectrometries.\n \n \n \n \n\n\n \n Shi, D.; Wei, X.; Fan, X.; Zong, Z.; Chen, B.; Zhao, Y.; Wang, Y.; and Cao, J.\n\n\n \n\n\n\n Energy & Fuels. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{shi_characterizations_2013,\n\ttitle = {Characterizations of the {Extracts} from {Geting} {Bituminous} {Coal} by {Spectrometries}},\n\tissn = {0887-0624},\n\turl = {http://dx.doi.org/10.1021/ef4004686},\n\tdoi = {10.1021/ef4004686},\n\tabstract = {Geting bituminous coal (GBC) was sequentially extracted with petroleum ether, carbon disulfide (CDS), methanol, acetone, and isometric CDS/acetone mixed solvent at room temperature to afford extracts 1-5 (E1-E5) and residue, respectively. Detailed characterizations of the extracts were performed with a gas chromatography/mass spectrometer (GC/MS), Fourier transform infrared (FTIR) spectrometer, and direct analysis in real time ionization source (DARTIS) coupled to an ion trap mass spectrometer (ITMS). GBC and its residue were also analyzed with the FTIR spectrometer. Particle sizes of the residue were significantly reduced compared with those of GBC according to the observation with scanning electron microscope. Arenes with 1-4 rings and more condensed arenes were enriched into E1 and E2, respectively, while more heteroatom-containing organic species were detected in other extracts, especially in E3 and E4 according to GC/MS analysis. The extracts, especially E1-E4, contain more aliphatic moieties and less aromatic moieties compared to GBC and its residue based on FTIR analysis. DARTIS/ITMS proved to be a powerful tool for analyzing thermally labile and/or involatile species, which are difficult to be identified with GC/MS, in the extracts. The GC-MS gave identification of relative small molecules demonstrating the enrichment of alkanes and 1-3 rings aromatics in E1, 4-6 rings aromatics in E2, organooxygen compounds in E3, phthalates and alkoxycarbonyl benzoic acids in E4. FT-IR analysis showed the functional groups in all extracts were mostly consistent with the GC-MS analysis. It supplied characterization and distribution of large molecules, which was beyond the detection range of GC-MS. DART-MS and corresponding tandem mass spectrometry program (DART-MS-MS) afforded the structural information about a wide variety of homologues (with the same core but different number of CH2) in extracts, which matched well with FT-IR result. Furthermore, the DART-MS-MS also elucidated the identification of alkoxycarbonyl benzoic acids series and et al, which was in good agreement with GC-MS result. These work confirmed that the DART-MS, as a novel and cutting-edge technology, is a desirable and reliable technology in coal chemistry. In this paper, combined with sophisticate GC-MS and FT-IR, DART-MS offered us detailed characteristics of GBC extract on molecule-level.},\n\turldate = {2013-06-25},\n\tjournal = {Energy \\& Fuels},\n\tauthor = {Shi, Da-Ling and Wei, Xian-Yong and Fan, Xing and Zong, Zhi-Min and Chen, Bo and Zhao, Yun-Peng and Wang, Yu-Gao and Cao, Jing-Pei},\n\tmonth = jun,\n\tyear = {2013},\n}\n\n\n\n
\n
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\n Geting bituminous coal (GBC) was sequentially extracted with petroleum ether, carbon disulfide (CDS), methanol, acetone, and isometric CDS/acetone mixed solvent at room temperature to afford extracts 1-5 (E1-E5) and residue, respectively. Detailed characterizations of the extracts were performed with a gas chromatography/mass spectrometer (GC/MS), Fourier transform infrared (FTIR) spectrometer, and direct analysis in real time ionization source (DARTIS) coupled to an ion trap mass spectrometer (ITMS). GBC and its residue were also analyzed with the FTIR spectrometer. Particle sizes of the residue were significantly reduced compared with those of GBC according to the observation with scanning electron microscope. Arenes with 1-4 rings and more condensed arenes were enriched into E1 and E2, respectively, while more heteroatom-containing organic species were detected in other extracts, especially in E3 and E4 according to GC/MS analysis. The extracts, especially E1-E4, contain more aliphatic moieties and less aromatic moieties compared to GBC and its residue based on FTIR analysis. DARTIS/ITMS proved to be a powerful tool for analyzing thermally labile and/or involatile species, which are difficult to be identified with GC/MS, in the extracts. The GC-MS gave identification of relative small molecules demonstrating the enrichment of alkanes and 1-3 rings aromatics in E1, 4-6 rings aromatics in E2, organooxygen compounds in E3, phthalates and alkoxycarbonyl benzoic acids in E4. FT-IR analysis showed the functional groups in all extracts were mostly consistent with the GC-MS analysis. It supplied characterization and distribution of large molecules, which was beyond the detection range of GC-MS. DART-MS and corresponding tandem mass spectrometry program (DART-MS-MS) afforded the structural information about a wide variety of homologues (with the same core but different number of CH2) in extracts, which matched well with FT-IR result. Furthermore, the DART-MS-MS also elucidated the identification of alkoxycarbonyl benzoic acids series and et al, which was in good agreement with GC-MS result. These work confirmed that the DART-MS, as a novel and cutting-edge technology, is a desirable and reliable technology in coal chemistry. In this paper, combined with sophisticate GC-MS and FT-IR, DART-MS offered us detailed characteristics of GBC extract on molecule-level.\n
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\n \n\n \n \n \n \n \n \n Authentication of milk and milk-based foods by direct analysis in real time ionization–high resolution mass spectrometry (DART–HRMS) technique: a critical assessment.\n \n \n \n \n\n\n \n Hrbek, V.; Vaclavik, L.; Elich, O.; and Hajslova, J.\n\n\n \n\n\n\n Food Control, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AuthenticationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{hrbek_authentication_2013,\n\ttitle = {Authentication of milk and milk-based foods by direct analysis in real time ionization–high resolution mass spectrometry ({DART}–{HRMS}) technique: a critical assessment},\n\tissn = {0956-7135},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0956713513003952},\n\tdoi = {10.1016/j.foodcont.2013.08.003},\n\tabstract = {Abstract\nThe potential of direct analysis in real time (DART) ambient ionization technique coupled with high resolution mass spectrometry (HRMS) in authentication of milk and dairy products was critically assessed. In particular case, DART–HRMS was used for several scenarios: (i) discrimination among milks obtained from various farm animal species (cow, goat, and sheep), (ii) discrimination between cows´ milk produced in conventional and organic farming, and, (iii) detection of vegetable oil added to a milk-based product (soft cheese). For this purpose, a rapid profiling procedure based on examination of milk/cheese toluene extracts, was implemented. The obtained triacylglycerol (TAG) profiles (mass spectra) were processed with principal component analysis (PCA) and linear discriminant analysis (LDA). Based on LDA model, reliable differentiation of cows´ milk samples and goats’/sheep’s milk was possible. The DART–HRMS procedure also allowed distinguishing milk mixtures prepared at adulteration level of 50\\% (v/v). The capability to recognize milk from conventional and organic farming was rather low, poor classification rates of the LDA model were obtained. On the other hand, reliable detection of the presence of vegetable oils (rapeseed, sunflower, and soybean), added to soft cheese at amount as low as 1\\% (w/w), was possible. Additionally, the quality of added oil in terms of degree of its oxidation could be documented.},\n\tnumber = {0},\n\tjournal = {Food Control},\n\tauthor = {Hrbek, Vojtech and Vaclavik, Lukas and Elich, Ondrej and Hajslova, Jana},\n\tyear = {2013},\n\tkeywords = {Authenticity, Dairy products, Direct analysis in real time, Milk, mass spectrometry},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Abstract The potential of direct analysis in real time (DART) ambient ionization technique coupled with high resolution mass spectrometry (HRMS) in authentication of milk and dairy products was critically assessed. In particular case, DART–HRMS was used for several scenarios: (i) discrimination among milks obtained from various farm animal species (cow, goat, and sheep), (ii) discrimination between cows´ milk produced in conventional and organic farming, and, (iii) detection of vegetable oil added to a milk-based product (soft cheese). For this purpose, a rapid profiling procedure based on examination of milk/cheese toluene extracts, was implemented. The obtained triacylglycerol (TAG) profiles (mass spectra) were processed with principal component analysis (PCA) and linear discriminant analysis (LDA). Based on LDA model, reliable differentiation of cows´ milk samples and goats’/sheep’s milk was possible. The DART–HRMS procedure also allowed distinguishing milk mixtures prepared at adulteration level of 50% (v/v). The capability to recognize milk from conventional and organic farming was rather low, poor classification rates of the LDA model were obtained. On the other hand, reliable detection of the presence of vegetable oils (rapeseed, sunflower, and soybean), added to soft cheese at amount as low as 1% (w/w), was possible. Additionally, the quality of added oil in terms of degree of its oxidation could be documented.\n
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\n \n\n \n \n \n \n \n \n A novel sampling method for identification of endogenous skin surface compounds by use of DART-MS and MALDI-MS.\n \n \n \n \n\n\n \n Mess, A.; Enthaler, B.; Fischer, M.; Rapp, C.; Pruns, J. K.; and Vietzke, J.\n\n\n \n\n\n\n Talanta, 103(0): 398–402. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{mess_novel_2013,\n\ttitle = {A novel sampling method for identification of endogenous skin surface compounds by use of {DART}-{MS} and {MALDI}-{MS}},\n\tvolume = {103},\n\tissn = {0039-9140},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0039914012009046},\n\tdoi = {10.1016/j.talanta.2012.10.073},\n\tabstract = {Identification of endogenous skin surface compounds is an intriguing challenge in comparative skin investigations. Notably, this short communication is focused on the analysis of small molecules, e.g. natural moisturizing factor (NMF) components and lipids, using a novel sampling method with DIP-it samplers for non-invasive examination of the human skin surface. As a result, extraction of analytes directly from the skin surface by use of various solvents can be replaced with the mentioned procedure. Screening of measureable compounds is achieved by direct analysis in real time mass spectrometry (DART-MS) without further sample preparation. Results are supplemented by dissolving analytes from the DIP-it samplers by use of different solvents, and subsequent matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) measurements. An interesting comparison of the mentioned MS techniques for determination of skin surface compounds in the mass range of 50–1000 Da is presented.},\n\tnumber = {0},\n\tjournal = {Talanta},\n\tauthor = {Mess, Aylin and Enthaler, Bernd and Fischer, Markus and Rapp, Claudius and Pruns, Julia K. and Vietzke, Jens-Peter},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {DART-MS, DIP-it samplers, MALDI-MS, Skin surface compounds},\n\tpages = {398--402},\n}\n\n\n\n
\n
\n\n\n
\n Identification of endogenous skin surface compounds is an intriguing challenge in comparative skin investigations. Notably, this short communication is focused on the analysis of small molecules, e.g. natural moisturizing factor (NMF) components and lipids, using a novel sampling method with DIP-it samplers for non-invasive examination of the human skin surface. As a result, extraction of analytes directly from the skin surface by use of various solvents can be replaced with the mentioned procedure. Screening of measureable compounds is achieved by direct analysis in real time mass spectrometry (DART-MS) without further sample preparation. Results are supplemented by dissolving analytes from the DIP-it samplers by use of different solvents, and subsequent matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) measurements. An interesting comparison of the mentioned MS techniques for determination of skin surface compounds in the mass range of 50–1000 Da is presented.\n
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\n \n\n \n \n \n \n \n \n Trace analysis of energetic materials via direct analyte-probed nanoextraction coupled to direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Clemons, K.; Dake, J.; Sisco, E.; and Verbeck IV, G. F.\n\n\n \n\n\n\n Forensic Science International, 231(1–3): 98–101. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"TracePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{clemons_trace_2013,\n\ttitle = {Trace analysis of energetic materials via direct analyte-probed nanoextraction coupled to direct analysis in real time mass spectrometry},\n\tvolume = {231},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813002454},\n\tdoi = {10.1016/j.forsciint.2013.04.022},\n\tabstract = {Abstract \nDirect analysis in real time mass spectrometry (DART-MS) has proven to be a useful forensic tool for the trace analysis of energetic materials. While other techniques for detecting trace amounts of explosives involve extraction, derivatization, solvent exchange, or sample clean-up, DART-MS requires none of these. Typical DART-MS analyses directly from a solid sample or from a swab have been quite successful; however, these methods may not always be an optimal sampling technique in a forensic setting. For example, if the sample were only located in an area which included a latent fingerprint of interest, direct DART-MS analysis or the use of a swab would almost certainly destroy the print. To avoid ruining such potentially invaluable evidence, another method has been developed which will leave the fingerprint virtually untouched. Direct analyte-probed nanoextraction coupled to nanospray ionization-mass spectrometry (DAPNe–NSI-MS) has demonstrated excellent sensitivity and repeatability in forensic analyses of trace amounts of illicit drugs from various types of surfaces. This technique employs a nanomanipulator in conjunction with bright-field microscopy to extract single particles from a surface of interest and has provided a limit of detection of 300 attograms for caffeine. Combining DAPNe with DART-MS provides another level of flexibility in forensic analysis, and has proven to be a sufficient detection method for trinitrotoluene (TNT), RDX, and 1-methylaminoanthraquinone (MAAQ).},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Clemons, Kristina and Dake, Jeffrey and Sisco, Edward and Verbeck IV, Guido F.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Direct analyte-probed nanoextraction, Explosives, Latent fingerprint, forensic science, mass spectrometry},\n\tpages = {98--101},\n}\n\n\n\n
\n
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\n Abstract Direct analysis in real time mass spectrometry (DART-MS) has proven to be a useful forensic tool for the trace analysis of energetic materials. While other techniques for detecting trace amounts of explosives involve extraction, derivatization, solvent exchange, or sample clean-up, DART-MS requires none of these. Typical DART-MS analyses directly from a solid sample or from a swab have been quite successful; however, these methods may not always be an optimal sampling technique in a forensic setting. For example, if the sample were only located in an area which included a latent fingerprint of interest, direct DART-MS analysis or the use of a swab would almost certainly destroy the print. To avoid ruining such potentially invaluable evidence, another method has been developed which will leave the fingerprint virtually untouched. Direct analyte-probed nanoextraction coupled to nanospray ionization-mass spectrometry (DAPNe–NSI-MS) has demonstrated excellent sensitivity and repeatability in forensic analyses of trace amounts of illicit drugs from various types of surfaces. This technique employs a nanomanipulator in conjunction with bright-field microscopy to extract single particles from a surface of interest and has provided a limit of detection of 300 attograms for caffeine. Combining DAPNe with DART-MS provides another level of flexibility in forensic analysis, and has proven to be a sufficient detection method for trinitrotoluene (TNT), RDX, and 1-methylaminoanthraquinone (MAAQ).\n
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\n \n\n \n \n \n \n \n \n DART-MS for rapid, preliminary screening of urine for DMAA.\n \n \n \n \n\n\n \n Lesiak, A. D.; Adams, K. J.; Domin, M. A.; Henck, C.; and Shepard, J. R. E.\n\n\n \n\n\n\n Drug Testing and Analysis,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DART-MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{lesiak_dart-ms_2013,\n\ttitle = {{DART}-{MS} for rapid, preliminary screening of urine for {DMAA}},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.1540},\n\tdoi = {10.1002/dta.1540},\n\tabstract = {Dimethylamylamine (DMAA) is a sympathomimetic amine found in weight-loss/workout supplements or used as an appetite suppressant. DMAA is a stimulant that is banned by the World Anti-Doping Agency (WADA). Adverse health effects as well as fatalities have been implicated with its use. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization method that was employed to rapidly identify the presence of DMAA in various samples without any extraction or preparations whatsoever. DMAA was first identified in supplements, sampled directly in their solid forms. Furthermore, DMAA was detected directly in urine over 48 h as a means of indicating recent abuse of the substance. DART-MS analysis is instantaneous, and coupled with the high mass accuracy associated with the time-of-flight mass analyzer, results in unequivocal identification of the presence of DMAA. These features demonstrate DART-MS as an attractive potential alternative screening method for the presence of drugs and medications or for toxicological investigations. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Lesiak, Ashton D. and Adams, Kendra J. and Domin, Marek A. and Henck, Colin and Shepard, Jason R. E.},\n\tyear = {2013},\n\tkeywords = {DART-MS, DMAA, Direct analysis in real time mass spectrometry, collision induced dissociation, natural supplements, urine testing},\n\tpages = {n/a--n/a},\n}\n\n\n\n
\n
\n\n\n
\n Dimethylamylamine (DMAA) is a sympathomimetic amine found in weight-loss/workout supplements or used as an appetite suppressant. DMAA is a stimulant that is banned by the World Anti-Doping Agency (WADA). Adverse health effects as well as fatalities have been implicated with its use. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization method that was employed to rapidly identify the presence of DMAA in various samples without any extraction or preparations whatsoever. DMAA was first identified in supplements, sampled directly in their solid forms. Furthermore, DMAA was detected directly in urine over 48 h as a means of indicating recent abuse of the substance. DART-MS analysis is instantaneous, and coupled with the high mass accuracy associated with the time-of-flight mass analyzer, results in unequivocal identification of the presence of DMAA. These features demonstrate DART-MS as an attractive potential alternative screening method for the presence of drugs and medications or for toxicological investigations. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n What Is the Opposite of Pandora’s Box? Direct Analysis, Ambient Ionization, and a New Generation of Atmospheric Pressure Ion Sources.\n \n \n \n\n\n \n Cody, R. B.\n\n\n \n\n\n\n Mass Spectrometry, 2(Special_Issue): S0007–S0007. 2013.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cody_what_2013,\n\ttitle = {What {Is} the {Opposite} of {Pandora}’s {Box}? {Direct} {Analysis}, {Ambient} {Ionization}, and a {New} {Generation} of {Atmospheric} {Pressure} {Ion} {Sources}},\n\tvolume = {2},\n\tabstract = {The introduction of DART and DESI sources approximately seven years ago led to the development of a new series of atmospheric pressure ion sources referred to as “ambient ionization” sources. These fall into two major categories: spray techniques like DESI or plasma techniques like DART. The selectivity of “direct ionization,” meaning analysis without chromatography and with little or no sample preparation, depends on the mass spectrometer selectivity. Although high resolution and tandem mass spectrometry are valuable tools, rapid and simple sample preparation methods can improve the utility of ambient ionization methods. The concept of ambient ionization has led to the realization that there are many more ways to form ions than might be expected. An interesting example is the use of a flint-and-steel spark source to generate ions from compounds such as phenolphthalein and Gramicidin S.},\n\tnumber = {Special\\_Issue},\n\tjournal = {Mass Spectrometry},\n\tauthor = {Cody, Robert B.},\n\tyear = {2013},\n\tpages = {S0007--S0007},\n}\n\n\n\n
\n
\n\n\n
\n The introduction of DART and DESI sources approximately seven years ago led to the development of a new series of atmospheric pressure ion sources referred to as “ambient ionization” sources. These fall into two major categories: spray techniques like DESI or plasma techniques like DART. The selectivity of “direct ionization,” meaning analysis without chromatography and with little or no sample preparation, depends on the mass spectrometer selectivity. Although high resolution and tandem mass spectrometry are valuable tools, rapid and simple sample preparation methods can improve the utility of ambient ionization methods. The concept of ambient ionization has led to the realization that there are many more ways to form ions than might be expected. An interesting example is the use of a flint-and-steel spark source to generate ions from compounds such as phenolphthalein and Gramicidin S.\n
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\n \n\n \n \n \n \n \n \n Electro-Thermal Vaporization Direct Analysis in Real Time-Mass Spectrometry for Water Contaminant Analysis during Space Missions.\n \n \n \n \n\n\n \n Dwivedi, P.; Gazda, D. B.; Keelor, J. D.; Limero, T. F.; Wallace, W. T.; Macatangay, A. V.; and Fernández, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 85(20): 9898–9906. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Electro-ThermalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{dwivedi_electro-thermal_2013,\n\ttitle = {Electro-{Thermal} {Vaporization} {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry} for {Water} {Contaminant} {Analysis} during {Space} {Missions}},\n\tvolume = {85},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac402365k},\n\tdoi = {10.1021/ac402365k},\n\tabstract = {The development of a direct analysis in real time-mass spectrometry (DART-MS) method and first prototype vaporizer for the detection of low molecular weight (?30?100 Da) contaminants representative of those detected in water samples from the International Space Station is reported. A temperature-programmable, electro-thermal vaporizer (ETV) was designed, constructed, and evaluated as a sampling interface for DART-MS. The ETV facilitates analysis of water samples with minimum user intervention while maximizing analytical sensitivity and sample throughput. The integrated DART-ETV-MS methodology was evaluated in both positive and negative ion modes to (1) determine experimental conditions suitable for coupling DART with ETV as a sample inlet and ionization platform for time-of-flight MS, (2) to identify analyte response ions, (3) to determine the detection limit and dynamic range for target analyte measurement, and (4) to determine the reproducibility of measurements made with the method when using manual sample introduction into the vaporizer. Nitrogen was used as the DART working gas, and the target analytes chosen for the study were ethyl acetate, acetone, acetaldehyde, ethanol, ethylene glycol, dimethylsilanediol, formaldehyde, isopropanol, methanol, methylethyl ketone, methylsulfone, propylene glycol, and trimethylsilanol.},\n\tnumber = {20},\n\turldate = {2013-11-25},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Dwivedi, Prabha and Gazda, Daniel B. and Keelor, Joel D. and Limero, Thomas F. and Wallace, William T. and Macatangay, Ariel V. and Fernández, Facundo M.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {9898--9906},\n}\n\n\n\n
\n
\n\n\n
\n The development of a direct analysis in real time-mass spectrometry (DART-MS) method and first prototype vaporizer for the detection of low molecular weight (?30?100 Da) contaminants representative of those detected in water samples from the International Space Station is reported. A temperature-programmable, electro-thermal vaporizer (ETV) was designed, constructed, and evaluated as a sampling interface for DART-MS. The ETV facilitates analysis of water samples with minimum user intervention while maximizing analytical sensitivity and sample throughput. The integrated DART-ETV-MS methodology was evaluated in both positive and negative ion modes to (1) determine experimental conditions suitable for coupling DART with ETV as a sample inlet and ionization platform for time-of-flight MS, (2) to identify analyte response ions, (3) to determine the detection limit and dynamic range for target analyte measurement, and (4) to determine the reproducibility of measurements made with the method when using manual sample introduction into the vaporizer. Nitrogen was used as the DART working gas, and the target analytes chosen for the study were ethyl acetate, acetone, acetaldehyde, ethanol, ethylene glycol, dimethylsilanediol, formaldehyde, isopropanol, methanol, methylethyl ketone, methylsulfone, propylene glycol, and trimethylsilanol.\n
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\n \n\n \n \n \n \n \n \n Extraction-free In situ Derivatisation of Timosaponin AIII Using Direct Analysis in Real Time TOF/MS.\n \n \n \n \n\n\n \n Kim, H. J.; Park, S. R.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Extraction-freePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{kim_extraction-free_2013,\n\ttitle = {Extraction-free {In} situ {Derivatisation} of {Timosaponin} {AIII} {Using} {Direct} {Analysis} in {Real} {Time} {TOF}/{MS}},\n\tissn = {1099-1565},\n\turl = {http://dx.doi.org/10.1002/pca.2488},\n\tdoi = {10.1002/pca.2488},\n\tabstract = {Introduction\n\nDirect analysis in real time (DART) TOF/MS has been used for mass information of various non-polar phytochemicals in raw material with no sample preparation. However, low ionisation efficiency for polar compounds including glycosides limits its extensive use in the field of phytochemical analysis.\n\nObjective\n\nIn order to develop a direct analysis method for polar glycosides using in situ derivatisation, which improves ionisation efficiency of hydrophilic glycosides.\n\nMethod\n\nAnemarrhena Rhizoma was used as a model plant targeting on Timosaponin AIII utilising a Dip-It module. Permethylation was applied to the powdered raw material with tetramethylammonium hydroxide in front of a DART ion source. Also, DART TOF/MS combined with permethylation was applied to timosaponin AIII standard solution to obtain the limit of detection (LOD).\n\nResults\n\nIn situ methylation of timosaponin AIII and Anemarrhena Rhizoma raw material were successfully used to ionise the glycoside. The LOD was found to be in the range of 2.4–4.8 ng for permethylated timosaponin AIII and this level is four times higher than the range of the underivatisation analysis. Direct analysis of permethylated timosaponin from Anemarrhena Rhizoma was also successfully performed.\n\nConclusion\n\nA simple and quick derivatisation method with tetramethylammonium hydroxide was developed for the direct identification of a hydrophilic saponin from the plant tissue. Better ionisation efficiency conferred by in situ permethylation enabled ionisation of whole molecules of timosaponin AIII from the plant tissue. This simple analytical method will provide a solution to reduce tedious sample preparation steps, not only for non-polar but also hydrophilic natural products directly from the tissue. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Park, Se Ri and Jang, Young Pyo},\n\tyear = {2013},\n\tkeywords = {Anemarrhena asphodeloides Bunge, DART TOF/MS, in situ derivatisation, permethylation, timosaponin AIII},\n\tpages = {n/a--n/a},\n}\n\n\n\n
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\n Introduction Direct analysis in real time (DART) TOF/MS has been used for mass information of various non-polar phytochemicals in raw material with no sample preparation. However, low ionisation efficiency for polar compounds including glycosides limits its extensive use in the field of phytochemical analysis. Objective In order to develop a direct analysis method for polar glycosides using in situ derivatisation, which improves ionisation efficiency of hydrophilic glycosides. Method Anemarrhena Rhizoma was used as a model plant targeting on Timosaponin AIII utilising a Dip-It module. Permethylation was applied to the powdered raw material with tetramethylammonium hydroxide in front of a DART ion source. Also, DART TOF/MS combined with permethylation was applied to timosaponin AIII standard solution to obtain the limit of detection (LOD). Results In situ methylation of timosaponin AIII and Anemarrhena Rhizoma raw material were successfully used to ionise the glycoside. The LOD was found to be in the range of 2.4–4.8 ng for permethylated timosaponin AIII and this level is four times higher than the range of the underivatisation analysis. Direct analysis of permethylated timosaponin from Anemarrhena Rhizoma was also successfully performed. Conclusion A simple and quick derivatisation method with tetramethylammonium hydroxide was developed for the direct identification of a hydrophilic saponin from the plant tissue. Better ionisation efficiency conferred by in situ permethylation enabled ionisation of whole molecules of timosaponin AIII from the plant tissue. This simple analytical method will provide a solution to reduce tedious sample preparation steps, not only for non-polar but also hydrophilic natural products directly from the tissue. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Evaluation of direct analysis in real time ionization–mass spectrometry (DART–MS) in fish metabolomics aimed to assess the response to dietary supplementation.\n \n \n \n \n\n\n \n Cajka, T.; Danhelova, H.; Vavrecka, A.; Riddellova, K.; Kocourek, V.; Vacha, F.; and Hajslova, J.\n\n\n \n\n\n\n Talanta, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{cajka_evaluation_2013,\n\ttitle = {Evaluation of direct analysis in real time ionization–mass spectrometry ({DART}–{MS}) in fish metabolomics aimed to assess the response to dietary supplementation},\n\tissn = {0039-9140},\n\turl = {http://www.sciencedirect.com/science/article/pii/S003991401300307X},\n\tdoi = {10.1016/j.talanta.2013.04.025},\n\tabstract = {Abstract \nAmbient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium-high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a rapid tool for metabolomic fingerprinting to study the effects of supplemental feeding with cereals (triticale) on the composition of muscle metabolites of common carp (Cyprinus carpio L.). \n \nFirst, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from common carp muscle. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. Next, the metabolomic fingerprints (mass spectra) of a large set of common carp muscle extracts were acquired. Finally, the experimental data were statistically evaluated using principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). \n \nUsing this approach, differentiation of common carp muscle in response to dietary supplementation (feeding with and without cereals) was feasible. Correct classification was obtained based on the assessment of polar and as well as non-polar extracts fingerprints. The current study showed that DART–TOFMS metabolomic fingerprinting represents a rapid and powerful analytical strategy enabling differentiation of common carp muscles according to feeding history by recording metabolomic fingerprints of ionizable components under the conditions of ambient MS.},\n\tnumber = {0},\n\tjournal = {Talanta},\n\tauthor = {Cajka, Tomas and Danhelova, Hana and Vavrecka, Antonin and Riddellova, Katerina and Kocourek, Vladimir and Vacha, Frantisek and Hajslova, Jana},\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time (DART), Feeding, Fish, Metabolomic fingerprinting, mass spectrometry},\n}\n\n\n\n
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\n Abstract Ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium-high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a rapid tool for metabolomic fingerprinting to study the effects of supplemental feeding with cereals (triticale) on the composition of muscle metabolites of common carp (Cyprinus carpio L.). First, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from common carp muscle. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. Next, the metabolomic fingerprints (mass spectra) of a large set of common carp muscle extracts were acquired. Finally, the experimental data were statistically evaluated using principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). Using this approach, differentiation of common carp muscle in response to dietary supplementation (feeding with and without cereals) was feasible. Correct classification was obtained based on the assessment of polar and as well as non-polar extracts fingerprints. The current study showed that DART–TOFMS metabolomic fingerprinting represents a rapid and powerful analytical strategy enabling differentiation of common carp muscles according to feeding history by recording metabolomic fingerprints of ionizable components under the conditions of ambient MS.\n
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\n \n\n \n \n \n \n \n \n DART-MS as a Preliminary Screening Method for “Herbal Incense”: Chemical Analysis of Synthetic Cannabinoids.\n \n \n \n \n\n\n \n Lesiak, A. D.; Musah, R. A.; Domin, M. A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Journal of Forensic Sciences,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DART-MSPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{lesiak_dart-ms_2013,\n\ttitle = {{DART}-{MS} as a {Preliminary} {Screening} {Method} for “{Herbal} {Incense}”: {Chemical} {Analysis} of {Synthetic} {Cannabinoids}},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12354},\n\tdoi = {10.1111/1556-4029.12354},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) served as a method for rapid high-throughput screening of six commercially available “Spice” products, detecting various combinations of five synthetic cannabinoids. Direct analysis in real time is an ambient ionization process that, along with high mass accuracy time-of-flight (TOF)-MS to 0.0001 Da, was employed to establish the presence of cannabinoids. Mass spectra were acquired by simply suspending a small portion of sample between the ion source and the mass spectrometer inlet. The ability to test minute amounts of sample is a major advantage when very limited amounts of evidentiary material are available. In addition, reports are widespread regarding the testing backlogs that now exist because of the large influx of designer drugs. This method circumvents time-consuming sample extraction, derivatization, chromatographic, and other sample preparative steps required for analysis by more conventional mass spectrometric methods. Accordingly, the synthetic cannabinoids AM-2201, JWH-122, JWH-203, JWH-210, and RCS-4 were identified in commercially available herbal Spice products, singly and in tandem, at concentrations within the range of 4–141 mg/g of material. Direct analysis in real time mass spectrometry decreases the time necessary to triage analytical evidence, and therefore, it has the potential to contribute to backlog reduction and more timely criminal prosecution.},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Lesiak, Ashton D. and Musah, Rabi A. and Domin, Marek A. and Shepard, Jason R. E.},\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, cannabinoids, designer drugs, forensic science, mass spectrometry},\n\tpages = {n/a--n/a},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) served as a method for rapid high-throughput screening of six commercially available “Spice” products, detecting various combinations of five synthetic cannabinoids. Direct analysis in real time is an ambient ionization process that, along with high mass accuracy time-of-flight (TOF)-MS to 0.0001 Da, was employed to establish the presence of cannabinoids. Mass spectra were acquired by simply suspending a small portion of sample between the ion source and the mass spectrometer inlet. The ability to test minute amounts of sample is a major advantage when very limited amounts of evidentiary material are available. In addition, reports are widespread regarding the testing backlogs that now exist because of the large influx of designer drugs. This method circumvents time-consuming sample extraction, derivatization, chromatographic, and other sample preparative steps required for analysis by more conventional mass spectrometric methods. Accordingly, the synthetic cannabinoids AM-2201, JWH-122, JWH-203, JWH-210, and RCS-4 were identified in commercially available herbal Spice products, singly and in tandem, at concentrations within the range of 4–141 mg/g of material. Direct analysis in real time mass spectrometry decreases the time necessary to triage analytical evidence, and therefore, it has the potential to contribute to backlog reduction and more timely criminal prosecution.\n
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\n \n\n \n \n \n \n \n \n Optimizing Accu Time-of-Flight/Direct Analysis in Real Time for Explosive Residue Analysis.\n \n \n \n \n\n\n \n Swider, J. R.\n\n\n \n\n\n\n Journal of Forensic Sciences,n/a–n/a. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{swider_optimizing_2013,\n\ttitle = {Optimizing {Accu} {Time}-of-{Flight}/{Direct} {Analysis} in {Real} {Time} for {Explosive} {Residue} {Analysis}},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12276},\n\tdoi = {10.1111/1556-4029.12276},\n\tabstract = {The use of a direct analysis in real time (DART) mass spectrometer (MS) instrument was optimized for 22 compounds of organic explosive residues to provide a guide for DART-MS users in rapid screening of explosive compounds. Samples were introduced as neat solutions and sequential dilutions to determine optimal instrument conditions and lowest concentration detectable. Most compounds were optimized to 250°C in the negative ion mode, and several compounds benefited from the addition of a chloride dopant from methylene chloride (amino-dinitrotoluenes, RDX, EGDN, and PETN). Few compounds were more sensitive in the positive ion mode (TEGDN, DEGDN, HNS, and DMNB). Mixtures of compounds were detected using clean room wipes, directly from their surfaces and from subsequent extractions. Compounds from the mixtures were also successfully detected in soil and from swipes of spiked surfaces. The instrument showed merit in detection of pg/μL solutions for most of the compounds and among the substrates tested.},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Swider, Joseph R.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Explosives, Time-of-flight, forensic science, mass spectrometry, residue},\n\tpages = {n/a--n/a},\n}\n\n\n\n
\n
\n\n\n
\n The use of a direct analysis in real time (DART) mass spectrometer (MS) instrument was optimized for 22 compounds of organic explosive residues to provide a guide for DART-MS users in rapid screening of explosive compounds. Samples were introduced as neat solutions and sequential dilutions to determine optimal instrument conditions and lowest concentration detectable. Most compounds were optimized to 250°C in the negative ion mode, and several compounds benefited from the addition of a chloride dopant from methylene chloride (amino-dinitrotoluenes, RDX, EGDN, and PETN). Few compounds were more sensitive in the positive ion mode (TEGDN, DEGDN, HNS, and DMNB). Mixtures of compounds were detected using clean room wipes, directly from their surfaces and from subsequent extractions. Compounds from the mixtures were also successfully detected in soil and from swipes of spiked surfaces. The instrument showed merit in detection of pg/μL solutions for most of the compounds and among the substrates tested.\n
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\n \n\n \n \n \n \n \n \n Polydimethylsiloxane-based wide-range mass calibration for direct analysis in real-time mass spectrometry.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. August 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Polydimethylsiloxane-basedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{gross_polydimethylsiloxane-based_2013,\n\ttitle = {Polydimethylsiloxane-based wide-range mass calibration for direct analysis in real-time mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-7287-1},\n\tdoi = {10.1007/s00216-013-7287-1},\n\tabstract = {Direct analysis in real-time mass spectrometry (DART-MS) is normally applied for small-molecule analysis up to about m/z 1,000. Here, for the analysis of polydimethylsiloxanes, high-mass capabilities expanding beyond m/z 3,000 are demonstrated. In addition, polydimethylsiloxanes provide an ideal mass calibration standard for positive-ion DART-MS. A mass reference list has been compiled to cover ions from m/z 200 up to m/z 2,600. Species with more than 20 silicon atoms exhibit increasingly broader isotopic patterns with decreasing abundances of the monoisotopic ions. The use of the first isotopic peaks for analyte ions above m/z 2,000 serves as a work-around and ensures easy and reproducible recognition of the reference peaks by the instrument data system. Here, the positive-ion DART mass spectra of polydimethylsiloxanes and the corresponding experimental procedures are described, and the mass reference list is provided.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = aug,\n\tyear = {2013},\n\tkeywords = {Accurate mass, Direct analysis in real time (DART), Mass calibration, Polymer analysis, Polysiloxanes, mass spectrometry},\n\tpages = {1--6},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real-time mass spectrometry (DART-MS) is normally applied for small-molecule analysis up to about m/z 1,000. Here, for the analysis of polydimethylsiloxanes, high-mass capabilities expanding beyond m/z 3,000 are demonstrated. In addition, polydimethylsiloxanes provide an ideal mass calibration standard for positive-ion DART-MS. A mass reference list has been compiled to cover ions from m/z 200 up to m/z 2,600. Species with more than 20 silicon atoms exhibit increasingly broader isotopic patterns with decreasing abundances of the monoisotopic ions. The use of the first isotopic peaks for analyte ions above m/z 2,000 serves as a work-around and ensures easy and reproducible recognition of the reference peaks by the instrument data system. Here, the positive-ion DART mass spectra of polydimethylsiloxanes and the corresponding experimental procedures are described, and the mass reference list is provided.\n
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\n \n\n \n \n \n \n \n \n Argon direct analysis in real time mass spectrometry in conjunction with makeup solvents: a method for analysis of labile compounds.\n \n \n \n \n\n\n \n Yang, H; Wan, D; Song, F; Liu, Z; and Liu, S\n\n\n \n\n\n\n Analytical chemistry, 85(3): 1305–1309. February 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ArgonPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{yang_argon_2013,\n\ttitle = {Argon direct analysis in real time mass spectrometry in conjunction with makeup solvents: a method for analysis of labile compounds.},\n\tvolume = {85},\n\turl = {http://europepmc.org/abstract/MED/23252884},\n\tabstract = {Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with makeup solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a makeup solvent (absolute ethyl alcohol, methanol, fluorobenzene, or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.},\n\tnumber = {3},\n\tjournal = {Analytical chemistry},\n\tauthor = {Yang, H and Wan, D and Song, F and Liu, Z and Liu, S},\n\tmonth = feb,\n\tyear = {2013},\n\tpages = {1305--1309},\n}\n\n\n\n
\n
\n\n\n
\n Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with makeup solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a makeup solvent (absolute ethyl alcohol, methanol, fluorobenzene, or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.\n
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\n \n\n \n \n \n \n \n \n Detection of drugs in latent fingermarks by two mass spectrometric methods.\n \n \n \n \n\n\n \n Lim, A. Y.; Rowell, F J; Elumbaring-Salazar, C. G.; Loke, J.; and Ma, J.\n\n\n \n\n\n\n Analytical Methods. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lim_detection_2013,\n\ttitle = {Detection of drugs in latent fingermarks by two mass spectrometric methods},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY40538A},\n\tdoi = {10.1039/C3AY40538A},\n\tabstract = {The ability of two mass spectrometric methods, surface assisted laser desorption ionization mass spectrometry (SALDI-MS) and direct analysis in real time mass spectrometry (DART-MS), to detect the presence of 5 drugs in latent fingermarks has been examined. It was found that each drug could be detected with good sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-MS. In contrast, for latent marks lifted from 3 surfaces (ceramic tile, wood laminate and backing of adhesive tape), no drug could be detected in dusted marks on the surface of a commercial lifting tape by DART-MS due to high background interference from the tape material, whereas all the drugs could be detected by SALDI-MS on equivalent marks. Also, it was demonstrated that drug-spiked latent fingermarks pre-dusted with regular fingerprint powder and lifted using conventional lifting tape could be redeveloped with carbon black doped silica particles to enable MS interrogation via SALDI-MS.},\n\tjournal = {Analytical Methods},\n\tauthor = {Lim, Angelina Yimei and Rowell, F J and Elumbaring-Salazar, Cheryl Grace and Loke, Jason and Ma, Jan},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n The ability of two mass spectrometric methods, surface assisted laser desorption ionization mass spectrometry (SALDI-MS) and direct analysis in real time mass spectrometry (DART-MS), to detect the presence of 5 drugs in latent fingermarks has been examined. It was found that each drug could be detected with good sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-MS. In contrast, for latent marks lifted from 3 surfaces (ceramic tile, wood laminate and backing of adhesive tape), no drug could be detected in dusted marks on the surface of a commercial lifting tape by DART-MS due to high background interference from the tape material, whereas all the drugs could be detected by SALDI-MS on equivalent marks. Also, it was demonstrated that drug-spiked latent fingermarks pre-dusted with regular fingerprint powder and lifted using conventional lifting tape could be redeveloped with carbon black doped silica particles to enable MS interrogation via SALDI-MS.\n
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\n \n\n \n \n \n \n \n \n Evaluation of the Oxidation of Rice Husks with Sodium Hypochlorite Using Gas Chromatography-Mass Spectrometry and Direct Analysis in Real Time-Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, S.; Fan, X.; Zheng, A.; Lu, Y.; Wei, X.; Zhao, Y.; Wang, R.; Dou, Y.; Wang, Y.; Wang, C.; Zhang, F.; Shen, Y.; Li, C.; Liu, Z.; and Liu, D.\n\n\n \n\n\n\n Analytical Letters,null–null. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_evaluation_2013,\n\ttitle = {Evaluation of the {Oxidation} of {Rice} {Husks} with {Sodium} {Hypochlorite} {Using} {Gas} {Chromatography}-{Mass} {Spectrometry} and {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry}},\n\tissn = {0003-2719},\n\turl = {http://dx.doi.org/10.1080/00032719.2013.831425},\n\tdoi = {10.1080/00032719.2013.831425},\n\tabstract = {Rice husk powder was oxidized in aqueous sodium hypochlorite solution under mild conditions with different reaction time. Fourier transform infrared spectroscopy, gas chromatography-mass spectrometry (GC-MS), and direct analysis in real time-mass spectrometry (DART-MS) were used to analyze the oxidation products. Results showed that oxidation was a feasible way to depolymerize the macromolecules in the biomass and convert hydroxyl groups to carboxyl groups. In total, 113 organic compounds in oxidation products with molecular mass less than 500 Da were identified using GC-MS. As an ambient ionization technique, DART-MS was applied to the determination of biomass derivatives and revealed mass distribution and molecular structure information for the rice husk oxidation products.},\n\turldate = {2013-09-19},\n\tjournal = {Analytical Letters},\n\tauthor = {Wang, Shou-Ze and Fan, Xing and Zheng, Ai-Li and Lu, Yao and Wei, Xian-Yong and Zhao, Yun-Peng and Wang, Rui-Yu and Dou, You-Quan and Wang, Ying-Hua and Wang, Chu-Fan and Zhang, Fan and Shen, Yong and Li, Chun-Yan and Liu, Zheng and Liu, De-Ying},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
\n
\n\n\n
\n Rice husk powder was oxidized in aqueous sodium hypochlorite solution under mild conditions with different reaction time. Fourier transform infrared spectroscopy, gas chromatography-mass spectrometry (GC-MS), and direct analysis in real time-mass spectrometry (DART-MS) were used to analyze the oxidation products. Results showed that oxidation was a feasible way to depolymerize the macromolecules in the biomass and convert hydroxyl groups to carboxyl groups. In total, 113 organic compounds in oxidation products with molecular mass less than 500 Da were identified using GC-MS. As an ambient ionization technique, DART-MS was applied to the determination of biomass derivatives and revealed mass distribution and molecular structure information for the rice husk oxidation products.\n
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\n \n\n \n \n \n \n \n \n Non-visible print set-off of photoinitiators in food packaging: detection by ambient ionization mass spectrometry.\n \n \n \n \n\n\n \n Bentayeb, K.; Ackerman, L.; Lord, T.; and Begley, T.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A,null–null. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Non-visiblePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bentayeb_non-visible_2013,\n\ttitle = {Non-visible print set-off of photoinitiators in food packaging: detection by ambient ionization mass spectrometry},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2012.762694},\n\tdoi = {10.1080/19440049.2012.762694},\n\tabstract = {Abstract Direct Analysis in Real Time coupled to Time of Flight Mass Spectrometry (DART/TOF-MS) was used to detect the non-visible set-off of photoinitiators on the food contact surface of three different packages. The samples were intentionally under-cured to provoke set-off. Twelve commercially available photoinitiators were included in the ink formulations including α?amino-, morpholino, and α?hydroxy benzophenones, thioxanthones, aryl-phosphine oxide and three polymeric versions of these. Major colors of the packages' prints were analyzed, as well as the specific areas of the inner surface in contact with them. Larger quantities of photoinitiators were detected on the food contact areas in contact with the darker colors of the images. Speed-cure 7005 and 4-phenylbenzophenone were the compounds most susceptible to set-off in each of the samples by DART response. An identification protocol for unknown set-off compounds was tested resulting in the set-off detection of diethylene glycol ethers, erucamide and acrylates, and confirmed by solvent extraction GC-MS analysis. Finally, DART/TOF-MS was scanned across transects of the food contact side of packages to map the presence of photoinitiators. Higher photoinitiator signals were observed in patterns corresponding to the printed image, suggesting DART/TOF-MS might ?image? print set-off.},\n\turldate = {2013-01-14},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Bentayeb, K. and Ackerman, L.K. and Lord, T. and Begley, T.H.},\n\tmonth = jan,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Direct Analysis in Real Time coupled to Time of Flight Mass Spectrometry (DART/TOF-MS) was used to detect the non-visible set-off of photoinitiators on the food contact surface of three different packages. The samples were intentionally under-cured to provoke set-off. Twelve commercially available photoinitiators were included in the ink formulations including α?amino-, morpholino, and α?hydroxy benzophenones, thioxanthones, aryl-phosphine oxide and three polymeric versions of these. Major colors of the packages' prints were analyzed, as well as the specific areas of the inner surface in contact with them. Larger quantities of photoinitiators were detected on the food contact areas in contact with the darker colors of the images. Speed-cure 7005 and 4-phenylbenzophenone were the compounds most susceptible to set-off in each of the samples by DART response. An identification protocol for unknown set-off compounds was tested resulting in the set-off detection of diethylene glycol ethers, erucamide and acrylates, and confirmed by solvent extraction GC-MS analysis. Finally, DART/TOF-MS was scanned across transects of the food contact side of packages to map the presence of photoinitiators. Higher photoinitiator signals were observed in patterns corresponding to the printed image, suggesting DART/TOF-MS might ?image? print set-off.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) of Ionic Liquids.\n \n \n \n \n\n\n \n Mazzotta, M.; Pace, R.; Wallgren, B.; Morton, S.; Miller, K.; and Smith, D.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry,1–4. August 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{mazzotta_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) of {Ionic} {Liquids}},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-013-0696-8},\n\tdoi = {10.1007/s13361-013-0696-8},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) was used to analyze ionic liquids (ILs) containing either imidazolium or phosphonium cations combined with different types of inorganic and organic anions. Ionic liquids were directly inserted into the ionization source using a glass probe without dissolution into organic solvents. Mass spectra of the ILs were collected in both positive and negative mode with a linear ion-trap instrument. The intact cation of the compound was typically the dominant peak in positive mass spectra and cluster ion formation was present. Some individual anions were not readily observed in the negative mass spectra (based on the type of anion); however, the mass difference of adjacent cluster ions equal the mass of a complete IL and the anion mass could be verified by subtracting the known cation mass. The degree and intensity of the cluster ion formations was found to be dependent on the nature of the specific ILs as well as the DART temperature gas stream.},\n\tlanguage = {English},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Mazzotta, MichaelG. and Pace, RobertB. and Wallgren, BrandyN. and Morton, SamuelA. and Miller, KevinM. and Smith, DarrinL.},\n\tmonth = aug,\n\tyear = {2013},\n\tkeywords = {Ambient MS, Direct analysis in real time (DART), Ionic liquids, Qualitative MS},\n\tpages = {1--4},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) was used to analyze ionic liquids (ILs) containing either imidazolium or phosphonium cations combined with different types of inorganic and organic anions. Ionic liquids were directly inserted into the ionization source using a glass probe without dissolution into organic solvents. Mass spectra of the ILs were collected in both positive and negative mode with a linear ion-trap instrument. The intact cation of the compound was typically the dominant peak in positive mass spectra and cluster ion formation was present. Some individual anions were not readily observed in the negative mass spectra (based on the type of anion); however, the mass difference of adjacent cluster ions equal the mass of a complete IL and the anion mass could be verified by subtracting the known cation mass. The degree and intensity of the cluster ion formations was found to be dependent on the nature of the specific ILs as well as the DART temperature gas stream.\n
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\n \n\n \n \n \n \n \n \n High-throughput differentiation of heparin from other glycosaminoglycans by pyrolysis mass spectrometry.\n \n \n \n \n\n\n \n Nemes, P.; Hoover, W. J; and Keire, D. A.\n\n\n \n\n\n\n Analytical Chemistry. July 2013.\n \n\n\n\n
\n\n\n\n \n \n \"High-throughputPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{nemes_high-throughput_2013,\n\ttitle = {High-throughput differentiation of heparin from other glycosaminoglycans by pyrolysis mass spectrometry},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac401318q},\n\tdoi = {10.1021/ac401318q},\n\tabstract = {Sensors with high chemical specificity and enhanced sample throughput are vital to screening food products and medical devices for chemical or biochemical contaminants that may pose a significant threat to public health. For example, the rapid detection of oversulfated chondroitin sulfate (OSCS) in heparin could prevent reoccurrence of this adulterant that caused hundreds of severe adverse events including deaths worldwide in 2007?2008. Here, rapid pyrolysis is integrated with direct analysis in real time (DART) mass spectrometry to rapidly screen major glycosaminoglycans, including: heparin, chondroitin sulfate A, dermatan sulfate, and OSCS. The results demonstrate that, compared to traditional liquid chromatography-based analyses, pyrolysis mass spectrometry achieved at least 250-fold higher sample throughput and was compatible with samples volume-limited to about 300 nL. Pyrolysis yielded an abundance of fragment ions (e.g., 150 different m/z species), many of which were specific to the parent compound. Using multivariate and statistical data analysis models, these data enabled facile differentiation of the glycosaminoglycans with high throughput. After method development was completed, authentically contaminated samples obtained during the heparin crisis by the FDA were analyzed in a blinded manner for OSCS contamination. The lower limit of differentiation and detection were 0.1\\% (w/w) OSCS in heparin and 100 ng/µL (20 ng) OSCS in water, respectively. For quantitative purposes the linear dynamic range spanned approximately three orders of magnitude. Moreover, this chemical readout was successfully employed to find clues in the manufacturing history of the heparin samples that can be used for surveillance purposes. The presented technology and data analysis protocols are anticipated to be readily adaptable to other chemical and biochemical agents and volume-limited samples.},\n\turldate = {2013-07-16},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nemes, Peter and Hoover, William J and Keire, David A.},\n\tmonth = jul,\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Sensors with high chemical specificity and enhanced sample throughput are vital to screening food products and medical devices for chemical or biochemical contaminants that may pose a significant threat to public health. For example, the rapid detection of oversulfated chondroitin sulfate (OSCS) in heparin could prevent reoccurrence of this adulterant that caused hundreds of severe adverse events including deaths worldwide in 2007?2008. Here, rapid pyrolysis is integrated with direct analysis in real time (DART) mass spectrometry to rapidly screen major glycosaminoglycans, including: heparin, chondroitin sulfate A, dermatan sulfate, and OSCS. The results demonstrate that, compared to traditional liquid chromatography-based analyses, pyrolysis mass spectrometry achieved at least 250-fold higher sample throughput and was compatible with samples volume-limited to about 300 nL. Pyrolysis yielded an abundance of fragment ions (e.g., 150 different m/z species), many of which were specific to the parent compound. Using multivariate and statistical data analysis models, these data enabled facile differentiation of the glycosaminoglycans with high throughput. After method development was completed, authentically contaminated samples obtained during the heparin crisis by the FDA were analyzed in a blinded manner for OSCS contamination. The lower limit of differentiation and detection were 0.1% (w/w) OSCS in heparin and 100 ng/µL (20 ng) OSCS in water, respectively. For quantitative purposes the linear dynamic range spanned approximately three orders of magnitude. Moreover, this chemical readout was successfully employed to find clues in the manufacturing history of the heparin samples that can be used for surveillance purposes. The presented technology and data analysis protocols are anticipated to be readily adaptable to other chemical and biochemical agents and volume-limited samples.\n
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\n \n\n \n \n \n \n \n \n Analysis of writing inks on paper using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Jones, R. W.; and McClelland, J. F.\n\n\n \n\n\n\n Forensic Science International, 231(1–3): 73–81. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{jones_analysis_2013,\n\ttitle = {Analysis of writing inks on paper using direct analysis in real time mass spectrometry},\n\tvolume = {231},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813002399},\n\tdoi = {10.1016/j.forsciint.2013.04.016},\n\tabstract = {Abstract \nInk analysis is central to questioned document examination. We applied direct analysis in real time mass spectrometry (DART MS) to ballpoint, gel, and fluid writing ink analysis. DART MS acquires the mass spectrum of an ink while it is still on a document without altering the appearance of the document. Spectra were acquired from ink on a variety of papers, and the spectrum of the blank paper could be subtracted out to produce a cleanly isolated ink spectrum in most cases. Only certain heavy or heavily processed papers interfered. The time since an ink is written on paper has a large effect on its spectrum. DART spectra change radically during the first few months after an ink is written as the more volatile components evaporate, but the spectra stabilize after that. A library-search study involving 166 well-aged inks assessed the ability to identify inks from their DART spectra. The aggregate success rate was 92\\%.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Jones, Roger W. and McClelland, John F.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Ink, Ink identification, forensic science, mass spectrometry, questioned documents},\n\tpages = {73--81},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Ink analysis is central to questioned document examination. We applied direct analysis in real time mass spectrometry (DART MS) to ballpoint, gel, and fluid writing ink analysis. DART MS acquires the mass spectrum of an ink while it is still on a document without altering the appearance of the document. Spectra were acquired from ink on a variety of papers, and the spectrum of the blank paper could be subtracted out to produce a cleanly isolated ink spectrum in most cases. Only certain heavy or heavily processed papers interfered. The time since an ink is written on paper has a large effect on its spectrum. DART spectra change radically during the first few months after an ink is written as the more volatile components evaporate, but the spectra stabilize after that. A library-search study involving 166 well-aged inks assessed the ability to identify inks from their DART spectra. The aggregate success rate was 92%.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time high-resolution mass spectrometry for high-throughput analysis of antiparasitic veterinary drugs in feed and food.\n \n \n \n \n\n\n \n Martínez-Villalba, A.; Vaclavik, L.; Moyano, E.; Galceran, M. T.; and Hajslova, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(3): 467–475. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{martinez-villalba_direct_2013,\n\ttitle = {Direct analysis in real time high-resolution mass spectrometry for high-throughput analysis of antiparasitic veterinary drugs in feed and food},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6466},\n\tdoi = {10.1002/rcm.6466},\n\tabstract = {RATIONALE \n \nDirect analysis in real time (DART) is a novel ionization technique that has been demonstrated in numerous applications as a useful tool for fast and convenient mass spectrometry (MS)-based analysis of complex samples. In this study, the feasibility of DART ionization coupled to a high-resolution mass spectrometer utilizing an orbitrap mass analyzer (orbitrap MS) for high-throughput analysis of antiparasitic veterinary drugs was explored. \n \nMETHODS \n \nTo obtain the best DART-orbitrap MS performance, stepwise optimization of instrumental parameter settings, such as ionization gas temperature and mass resolving power, was performed. The optimized method was applied to feed and bovine milk samples previously extracted following a QuEChERS-like strategy. \n \nRESULTS \n \nMost antiparasitic drugs could be analyzed following the described method. Positive DART ionization provided the protonated molecules [M+H]+; in negative DART ion mode, deprotonated molecules [M–H]– were observed. As an exception, polyether ionophores could be observed as the sodiated adducts [M+Na]+. Samples of milk and feed were extracted using a modified QuEChERS method for the determination of benzimidazoles and coccidiostats respectively and quantification was carried out by matrix-matched calibration curves. \n \nCONCLUSIONS \n \nThe combination of an analysis time of less than 1 min per sample and the possibility to acquire accurate masses under high mass resolving power (HR) makes the DART-HRMS technique an effective tool for rapid qualitative screening of antiparasitic veterinary drugs. Additionally, the results obtained in this study demonstrated the feasibility of this approach to quantify target analytes at levels down to 1 µg kg–1 for benzimidazolic compounds in milk and 0.25 mg kg–1 for coccidiostats in chicken feed. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Martínez-Villalba, Anna and Vaclavik, Lukas and Moyano, Encarnación and Galceran, Maria Teresa and Hajslova, Jana},\n\tyear = {2013},\n\tpages = {467--475},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Direct analysis in real time (DART) is a novel ionization technique that has been demonstrated in numerous applications as a useful tool for fast and convenient mass spectrometry (MS)-based analysis of complex samples. In this study, the feasibility of DART ionization coupled to a high-resolution mass spectrometer utilizing an orbitrap mass analyzer (orbitrap MS) for high-throughput analysis of antiparasitic veterinary drugs was explored. METHODS To obtain the best DART-orbitrap MS performance, stepwise optimization of instrumental parameter settings, such as ionization gas temperature and mass resolving power, was performed. The optimized method was applied to feed and bovine milk samples previously extracted following a QuEChERS-like strategy. RESULTS Most antiparasitic drugs could be analyzed following the described method. Positive DART ionization provided the protonated molecules [M+H]+; in negative DART ion mode, deprotonated molecules [M–H]– were observed. As an exception, polyether ionophores could be observed as the sodiated adducts [M+Na]+. Samples of milk and feed were extracted using a modified QuEChERS method for the determination of benzimidazoles and coccidiostats respectively and quantification was carried out by matrix-matched calibration curves. CONCLUSIONS The combination of an analysis time of less than 1 min per sample and the possibility to acquire accurate masses under high mass resolving power (HR) makes the DART-HRMS technique an effective tool for rapid qualitative screening of antiparasitic veterinary drugs. Additionally, the results obtained in this study demonstrated the feasibility of this approach to quantify target analytes at levels down to 1 µg kg–1 for benzimidazolic compounds in milk and 0.25 mg kg–1 for coccidiostats in chicken feed. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Development of a rapid screening method to determine primary aromatic amines in kitchen utensils using direct analysis in real time mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Paseiro-Cerrato, R.; Noonan, G. O.; and Begley, T. H.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A,null–null. November 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DevelopmentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{paseiro-cerrato_development_2013,\n\ttitle = {Development of a rapid screening method to determine primary aromatic amines in kitchen utensils using direct analysis in real time mass spectrometry ({DART}-{MS})},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2013.867366},\n\tdoi = {10.1080/19440049.2013.867366},\n\tabstract = {Primary aromatic amines (PAAs) are a group of substances with undesirable health effects, that are used in a variety of commercial products. Several recent studies, using a number of screening and confirmatory methods, have reported the migration of PAAs from some kitchen utensils into acetic acid 3\\% (w/v). Many of these methods require significant sample preparation, therefore the aim of this work was to determine if direct analysis in real time mass spectrometry (DART-MS) could be utilized as a rapid screening tool for the determination of PAAs in kitchen utensils. DART-MS results from direct analysis of the utensil have been compared with results of PAA migration by ultra high performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) method. The UPLC-MS/MS method had excellent linearity, appropriate sensitivity (LOD ≤ 1.5 µg L?1; LOQ ≤ 4.5 µg L?1), repeatability from 2.4 to 13.2\\% and acceptable recoveries. DART-MS results were in good agreement with UPLC-MS/MS data, with 100\\% of non-compliant (PAA positive) samples successfully identified by DART-MS.},\n\turldate = {2013-11-27},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Paseiro-Cerrato, R. and Noonan, G. O. and Begley, T. H.},\n\tmonth = nov,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Primary aromatic amines (PAAs) are a group of substances with undesirable health effects, that are used in a variety of commercial products. Several recent studies, using a number of screening and confirmatory methods, have reported the migration of PAAs from some kitchen utensils into acetic acid 3% (w/v). Many of these methods require significant sample preparation, therefore the aim of this work was to determine if direct analysis in real time mass spectrometry (DART-MS) could be utilized as a rapid screening tool for the determination of PAAs in kitchen utensils. DART-MS results from direct analysis of the utensil have been compared with results of PAA migration by ultra high performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) method. The UPLC-MS/MS method had excellent linearity, appropriate sensitivity (LOD ≤ 1.5 µg L?1; LOQ ≤ 4.5 µg L?1), repeatability from 2.4 to 13.2% and acceptable recoveries. DART-MS results were in good agreement with UPLC-MS/MS data, with 100% of non-compliant (PAA positive) samples successfully identified by DART-MS.\n
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\n \n\n \n \n \n \n \n \n Monitoring tea fermentation/manufacturing by Direct Analysis in Real Time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Fraser, K.; Lane, G. A.; Otter, D. E.; Harrison, S. J.; Quek, S.; Hemar, Y.; and Rasmussen, S.\n\n\n \n\n\n\n Food Chemistry, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MonitoringPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{fraser_monitoring_2013,\n\ttitle = {Monitoring tea fermentation/manufacturing by {Direct} {Analysis} in {Real} {Time} ({DART}) mass spectrometry},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814613006390},\n\tdoi = {10.1016/j.foodchem.2013.05.054},\n\tabstract = {Abstract \nFactors such as fermentation methods, geographical origin and season can affect the biochemical composition of tea leaves (Camellia sinensis L.). In this study, the biochemical composition of oolong tea during the manufacturing and fermentation process was studied using a non-targeted method utilising ambient ionisation with a direct analysis in real time (DART) ion source and mass spectrometry (MS). Caffeine dominated the positive ionisation spectra throughout the manufacturing process, while the negative ion spectra collected during manufacturing were rich in ions likely to be surface lipids. Correlation analyses on the spectra revealed two volatile compounds tentatively identified as indole and geranic acid, along with ammonium and caffeine clusters/adducts with geranic acid that increased in concentration during the fermentation stages of the process. The tentative identifications were assigned using a combination of DART-ion-trap MSn and DART-accurate mass MS1 and MS2 on tea samples and standard compounds. This study highlights the potential of DART-MS to rapidly monitor the progress of complex manufacturing processes such as tea fermentation.},\n\tnumber = {0},\n\tjournal = {Food Chemistry},\n\tauthor = {Fraser, Karl and Lane, Geoff A. and Otter, Don E. and Harrison, Scott J. and Quek, Siew-Young and Hemar, Yacine and Rasmussen, Susanne},\n\tyear = {2013},\n\tkeywords = {Caffeine, DARTMass spectrometry, Direct analysis in real time, Fermentation, Geranic acid, Profiling, Tea, Tea manufacturing},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Factors such as fermentation methods, geographical origin and season can affect the biochemical composition of tea leaves (Camellia sinensis L.). In this study, the biochemical composition of oolong tea during the manufacturing and fermentation process was studied using a non-targeted method utilising ambient ionisation with a direct analysis in real time (DART) ion source and mass spectrometry (MS). Caffeine dominated the positive ionisation spectra throughout the manufacturing process, while the negative ion spectra collected during manufacturing were rich in ions likely to be surface lipids. Correlation analyses on the spectra revealed two volatile compounds tentatively identified as indole and geranic acid, along with ammonium and caffeine clusters/adducts with geranic acid that increased in concentration during the fermentation stages of the process. The tentative identifications were assigned using a combination of DART-ion-trap MSn and DART-accurate mass MS1 and MS2 on tea samples and standard compounds. This study highlights the potential of DART-MS to rapidly monitor the progress of complex manufacturing processes such as tea fermentation.\n
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\n \n\n \n \n \n \n \n \n Rapid determination of 5-hydroxymethylfurfural by DART ionization with time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Rajchl, A.; Drgová, L.; Grégrová, A.; Čížková, H.; Ševčík, R.; and Voldřich, M.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–9. March 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rajchl_rapid_2013,\n\ttitle = {Rapid determination of 5-hydroxymethylfurfural by {DART} ionization with time-of-flight mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6875-4},\n\tdoi = {10.1007/s00216-013-6875-4},\n\tabstract = {DART (direct analysis in real time), a novel technique with wide potential for rapid screening analysis, coupled with high-resolution time-of-flight mass spectrometry (TOF-MS) has been used for quantitative analysis of 5-hydroxymethylfurfural (5-HMF), a typical temperature marker of food. The DART/TOF-MS method was optimised and validated. Quantification of 5-HMF was achieved by use of a stable isotope-labelled 5-HMF standard prepared from glucose. Formation of 5-HMF from saccharides, a potential source of overestimation of results, was evaluated. Forty-four real samples (honey and caramelised condensed sweetened milk) and 50 model samples of heated honey were analysed. The possibility of using DART for analysis of heated samples of honey was confirmed. HPLC and DART/TOF-MS methods for determination of 5-HMF were compared. The correlation equation between these methods was DART = 1.0287HPLC + 0.21340, R 2 = 0.9557. The DART/TOF-MS method has been proved to enable efficient and rapid determination of 5-HMF in a variety of food matrices, for example honey and caramel.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Rajchl, Aleš and Drgová, Ladislava and Grégrová, Adéla and Čížková, Helena and Ševčík, Rudolf and Voldřich, Michal},\n\tmonth = mar,\n\tyear = {2013},\n\tkeywords = {5-HMF, Caramel, DART, HPLC, Honey, TOF-MS},\n\tpages = {1--9},\n}\n\n\n\n
\n
\n\n\n
\n DART (direct analysis in real time), a novel technique with wide potential for rapid screening analysis, coupled with high-resolution time-of-flight mass spectrometry (TOF-MS) has been used for quantitative analysis of 5-hydroxymethylfurfural (5-HMF), a typical temperature marker of food. The DART/TOF-MS method was optimised and validated. Quantification of 5-HMF was achieved by use of a stable isotope-labelled 5-HMF standard prepared from glucose. Formation of 5-HMF from saccharides, a potential source of overestimation of results, was evaluated. Forty-four real samples (honey and caramelised condensed sweetened milk) and 50 model samples of heated honey were analysed. The possibility of using DART for analysis of heated samples of honey was confirmed. HPLC and DART/TOF-MS methods for determination of 5-HMF were compared. The correlation equation between these methods was DART = 1.0287HPLC + 0.21340, R 2 = 0.9557. The DART/TOF-MS method has been proved to enable efficient and rapid determination of 5-HMF in a variety of food matrices, for example honey and caramel.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) of \"Bath Salt\" Cathinone Drug Mixtures.\n \n \n \n \n\n\n \n Lesiak, A.; Musah, R.; Cody, R. B; Domin, M. A.; Dane, J.; and Shepard, J. R. E.\n\n\n \n\n\n\n Analyst. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) of "{Bath} {Salt}" {Cathinone} {Drug} {Mixtures}},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00360D},\n\tdoi = {10.1039/C3AN00360D},\n\tabstract = {Rapid and versatile direct analysis in real time mass spectrometry (DART-MS) methods were developed for detection and characterization of synthetic cathinone designer drugs, also known as "bath salts". The speed and efficiency associated with DART-MS testing of such highly unpredictable samples demonstrate the technique as an attractive alternative to conventional GC-MS and LC-MS methods. A series of isobaric and closely related synthetic cathinones, alone and in mixtures, were differentiated using high mass accuracy and in-source collision induced dissociation (CID). Crime laboratories have observed a dramatic rise in the use of these substances, which has caused sample testing backlogs, particularly since the myriad of closely structurally related compounds are challenging to efficiently differentiate. This challenge is compounded by the perpetual emergence of new structural variants as soon as older generation derivatives become scheduled. Because of the numerous chemical substances that fall into these categories, along with the varying composition and complexity of mixtures of these drugs, DART-MS CID has the potential to dramatically streamline sample analysis, minimize the number of sample preparation steps, and enable rapid characterization of emerging structural analogs.},\n\tjournal = {Analyst},\n\tauthor = {Lesiak, Ashton and Musah, Rabi and Cody, Robert B and Domin, Marek Adam and Dane, John and Shepard, Jason R. E.},\n\tyear = {2013},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Rapid and versatile direct analysis in real time mass spectrometry (DART-MS) methods were developed for detection and characterization of synthetic cathinone designer drugs, also known as \"bath salts\". The speed and efficiency associated with DART-MS testing of such highly unpredictable samples demonstrate the technique as an attractive alternative to conventional GC-MS and LC-MS methods. A series of isobaric and closely related synthetic cathinones, alone and in mixtures, were differentiated using high mass accuracy and in-source collision induced dissociation (CID). Crime laboratories have observed a dramatic rise in the use of these substances, which has caused sample testing backlogs, particularly since the myriad of closely structurally related compounds are challenging to efficiently differentiate. This challenge is compounded by the perpetual emergence of new structural variants as soon as older generation derivatives become scheduled. Because of the numerous chemical substances that fall into these categories, along with the varying composition and complexity of mixtures of these drugs, DART-MS CID has the potential to dramatically streamline sample analysis, minimize the number of sample preparation steps, and enable rapid characterization of emerging structural analogs.\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry of covalently bound organic monolayers.\n \n \n \n \n\n\n \n Manova, R. K.; Claassen, F. W.; Nielen, M. W. F.; Zuilhof, H.; and van Beek, T. A.\n\n\n \n\n\n\n Chemical Communications. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{manova_ambient_2013,\n\ttitle = {Ambient mass spectrometry of covalently bound organic monolayers},\n\tissn = {1359-7345},\n\turl = {http://dx.doi.org/10.1039/C2CC37605A},\n\tabstract = {Detailed molecular analysis by Direct Analysis in Real Time High Resolution Mass Spectrometry (DART-HRMS) of ester and amide-terminated monolayers is demonstrated. The structural information obtained allowed monitoring of the progress of a 4-step surface modification.},\n\tjournal = {Chemical Communications},\n\tauthor = {Manova, Radostina K. and Claassen, Frank W. and Nielen, Michel W. F. and Zuilhof, Han and van Beek, Teris A.},\n\tyear = {2013},\n}\n\n\n\n
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\n Detailed molecular analysis by Direct Analysis in Real Time High Resolution Mass Spectrometry (DART-HRMS) of ester and amide-terminated monolayers is demonstrated. The structural information obtained allowed monitoring of the progress of a 4-step surface modification.\n
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\n \n\n \n \n \n \n \n \n Direct Peel Monitoring of Xenobiotics in Fruit by Direct Analysis in Real-Time Coupled to a Linear Quadrupole Ion Trap-Orbitrap Mass Spectrometer.\n \n \n \n \n\n\n \n Farré, M.; Pico, Y.; and Barcelo, D.\n\n\n \n\n\n\n Analytical Chemistry. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{farre_direct_2013,\n\ttitle = {Direct {Peel} {Monitoring} of {Xenobiotics} in {Fruit} by {Direct} {Analysis} in {Real}-{Time} {Coupled} to a {Linear} {Quadrupole} {Ion} {Trap}-{Orbitrap} {Mass} {Spectrometer}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3026702},\n\tdoi = {10.1021/ac3026702},\n\tabstract = {Study of xenobiotics present in fruits peel by exposing it (without any pre-treatment) to direct analysis in real time coupled to a high resolution orbitrap mass spectrometer (DART-HRMS) is reported for the first time. Variables as DART gas heater temperature and pressure, source-to-MS distance and sample velocity are investigated. The analysis of one sample by DART-MS lasts ca. 1 min, and the benefits of both high-resolution and tandem mass spectrometry to elucidate non-target or unknown compounds are combined. Identification of post-harvest fungicides, antioxidants and sugars in fruit peel is performed in the positive ion mode. Possible elemental formula is suggested for marker components. The lowest imazalil concentration that could be detected by this system is 1 ng (equivalent to a concentration of ca. 300 µg kg-1), which is well-below the maximum residue limit. For oranges and apples, direct peel exposition demonstrated good interday precision (within 20 \\% for any concentration) and proper linearity (R2≥0.99), with a dynamic range from 1 to 2500 ng for apple. A comparison of the results obtained using the direct peel screening DART-based method is made with those obtained by DART analysis of solvent extracts, as well as those obtained analyzing these extracts by Ultra High Performance Liquid Chromatography Orbitrap Mass Spectrometry (UHPLC-Orbitrap). The results are in good agreement. Thus, the proposed method proves to be quantitatively accurate with indisputable identification specificity. As an independent method, the approach of direct scanning of peel is of high interest and of potential future within food analysis to guarantee safety, quality and authenticity. ?},\n\turldate = {2013-02-05},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Farré, Marinella and Pico, Yolanda and Barcelo, Damia},\n\tmonth = jan,\n\tyear = {2013},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Study of xenobiotics present in fruits peel by exposing it (without any pre-treatment) to direct analysis in real time coupled to a high resolution orbitrap mass spectrometer (DART-HRMS) is reported for the first time. Variables as DART gas heater temperature and pressure, source-to-MS distance and sample velocity are investigated. The analysis of one sample by DART-MS lasts ca. 1 min, and the benefits of both high-resolution and tandem mass spectrometry to elucidate non-target or unknown compounds are combined. Identification of post-harvest fungicides, antioxidants and sugars in fruit peel is performed in the positive ion mode. Possible elemental formula is suggested for marker components. The lowest imazalil concentration that could be detected by this system is 1 ng (equivalent to a concentration of ca. 300 µg kg-1), which is well-below the maximum residue limit. For oranges and apples, direct peel exposition demonstrated good interday precision (within 20 % for any concentration) and proper linearity (R2≥0.99), with a dynamic range from 1 to 2500 ng for apple. A comparison of the results obtained using the direct peel screening DART-based method is made with those obtained by DART analysis of solvent extracts, as well as those obtained analyzing these extracts by Ultra High Performance Liquid Chromatography Orbitrap Mass Spectrometry (UHPLC-Orbitrap). The results are in good agreement. Thus, the proposed method proves to be quantitatively accurate with indisputable identification specificity. As an independent method, the approach of direct scanning of peel is of high interest and of potential future within food analysis to guarantee safety, quality and authenticity. ?\n
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\n \n\n \n \n \n \n \n \n Sampler for Collection and Analysis of Low Vapor Pressure Chemical (LVPC) Particulates/Aerosols.\n \n \n \n \n\n\n \n Ewing, K. J.; Gibson, D.; Sanghera, J.; and Miklos, F.\n\n\n \n\n\n\n Analytical Chemistry, 85(20): 9508–9513. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"SamplerPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{ewing_sampler_2013,\n\ttitle = {Sampler for {Collection} and {Analysis} of {Low} {Vapor} {Pressure} {Chemical} ({LVPC}) {Particulates}/{Aerosols}},\n\tvolume = {85},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac401100r},\n\tdoi = {10.1021/ac401100r},\n\tabstract = {Detection of low vapor pressure chemicals (LVPCs) such as pesticides and other toxic/hazardous materials on various environmental surfaces as well as LVPC aerosols is a significant challenge for current vapor phase detectors. We describe a novel sampling device which utilizes stainless steel screens coated with a sticky polydimethylsiloxane coating for collecting LVPCs aerosolized off of a surface. Results are presented for the collection and detection of a pesticide simulant, dimethyl methylphosphonate sorbed onto silica gel (DMMP/SG), using direct analysis in real time-cylindrical ion trap mass spectrometry (DART-CITMS).},\n\tnumber = {20},\n\turldate = {2013-11-25},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Ewing, K. J. and Gibson, D. and Sanghera, J. and Miklos, F.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {9508--9513},\n}\n\n\n\n
\n
\n\n\n
\n Detection of low vapor pressure chemicals (LVPCs) such as pesticides and other toxic/hazardous materials on various environmental surfaces as well as LVPC aerosols is a significant challenge for current vapor phase detectors. We describe a novel sampling device which utilizes stainless steel screens coated with a sticky polydimethylsiloxane coating for collecting LVPCs aerosolized off of a surface. Results are presented for the collection and detection of a pesticide simulant, dimethyl methylphosphonate sorbed onto silica gel (DMMP/SG), using direct analysis in real time-cylindrical ion trap mass spectrometry (DART-CITMS).\n
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\n \n\n \n \n \n \n \n \n Soft Ionization of Saturated Hydrocarbons, Alcohols and Nonpolar Compounds by Negative-Ion Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n \n\n\n \n Cody, R.; and Dane, A.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry,1–6. February 2013.\n \n\n\n\n
\n\n\n\n \n \n \"SoftPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cody_soft_2013,\n\ttitle = {Soft {Ionization} of {Saturated} {Hydrocarbons}, {Alcohols} and {Nonpolar} {Compounds} by {Negative}-{Ion} {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-012-0569-6},\n\tdoi = {10.1007/s13361-012-0569-6},\n\tabstract = {Large polarizable n-alkanes (approximately C18 and larger), alcohols, and other nonpolar compounds can be detected as negative ions when sample solutions are injected directly into the sampling orifice of the atmospheric pressure interface of the time-of-flight mass spectrometer with the direct analysis in real time (DART) ion source operating in negative-ion mode. The mass spectra are dominated by peaks corresponding to [M + O2]‾•. No fragmentation is observed, making this a very soft ionization technique for samples that are otherwise difficult to analyze by DART. Detection limits for cholesterol were determined to be in the low nanogram range.},\n\tlanguage = {English},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Cody, RobertB. and Dane, A.John},\n\tmonth = feb,\n\tyear = {2013},\n\tkeywords = {Alcohols, Alkanes, Ambient, Cholesterol, DART, Direct analysis in real time, Hydrocarbons, Ionization, Negative ions, Triglycerides},\n\tpages = {1--6},\n}\n\n\n\n
\n
\n\n\n
\n Large polarizable n-alkanes (approximately C18 and larger), alcohols, and other nonpolar compounds can be detected as negative ions when sample solutions are injected directly into the sampling orifice of the atmospheric pressure interface of the time-of-flight mass spectrometer with the direct analysis in real time (DART) ion source operating in negative-ion mode. The mass spectra are dominated by peaks corresponding to [M + O2]‾•. No fragmentation is observed, making this a very soft ionization technique for samples that are otherwise difficult to analyze by DART. Detection limits for cholesterol were determined to be in the low nanogram range.\n
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\n \n\n \n \n \n \n \n \n Screening for trace explosives by AccuTOF™-DART®: An in-depth validation study.\n \n \n \n \n\n\n \n Sisco, E.; Dake, J.; and Bridge, C.\n\n\n \n\n\n\n Forensic Science International, 232(1–3): 160–168. October 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ScreeningPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{sisco_screening_2013,\n\ttitle = {Screening for trace explosives by {AccuTOF}™-{DART}®: {An} in-depth validation study},\n\tvolume = {232},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813003551},\n\tdoi = {10.1016/j.forsciint.2013.07.006},\n\tabstract = {Abstract\nAmbient ionization mass spectrometry is finding increasing utility as a rapid analysis technique in a number of fields. In forensic science specifically, analysis of many types of samples, including drugs, explosives, inks, bank dye, and lotions, has been shown to be possible using these techniques [1]. This paper focuses on one type of ambient ionization mass spectrometry, Direct Analysis in Real Time Mass Spectrometry (DART-MS or DART), and its viability as a screening tool for trace explosives analysis. In order to assess viability, a validation study was completed which focused on the analysis of trace amounts of nitro and peroxide based explosives. Topics which were studied, and are discussed, include method optimization, reproducibility, sensitivity, development of a search library, discrimination of mixtures, and blind sampling. Advantages and disadvantages of this technique over other similar screening techniques are also discussed.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Sisco, Edward and Dake, Jeffrey and Bridge, Candice},\n\tmonth = oct,\n\tyear = {2013},\n\tkeywords = {Ambient ionization mass spectrometry, Gas chromatography mass spectrometry, Trace detection},\n\tpages = {160--168},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Ambient ionization mass spectrometry is finding increasing utility as a rapid analysis technique in a number of fields. In forensic science specifically, analysis of many types of samples, including drugs, explosives, inks, bank dye, and lotions, has been shown to be possible using these techniques [1]. This paper focuses on one type of ambient ionization mass spectrometry, Direct Analysis in Real Time Mass Spectrometry (DART-MS or DART), and its viability as a screening tool for trace explosives analysis. In order to assess viability, a validation study was completed which focused on the analysis of trace amounts of nitro and peroxide based explosives. Topics which were studied, and are discussed, include method optimization, reproducibility, sensitivity, development of a search library, discrimination of mixtures, and blind sampling. Advantages and disadvantages of this technique over other similar screening techniques are also discussed.\n
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\n \n\n \n \n \n \n \n \n Applications of Confined DART (Direct Analysis in Real Time) Ion Source for Online in vivo Analysis of Human Breath.\n \n \n \n \n\n\n \n Li, Y.\n\n\n \n\n\n\n Analytical Methods. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_applications_2013,\n\ttitle = {Applications of {Confined} {DART} ({Direct} {Analysis} in {Real} {Time}) {Ion} {Source} for {Online} in vivo {Analysis} of {Human} {Breath}},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY41406J},\n\tdoi = {10.1039/C3AY41406J},\n\tabstract = {Human breath is composed of many volatile metabolites that can potentially provide information about a person's health status. A sensitive assay to identify these volatile organic compounds as biomarker is ideal and important for early detection of many diseases. However, the diagnosis through online breath analysis based on mass spectrometry is difficult due to the low concentration of pertinent compounds in breath. The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique, which can efficiently ionize gaseous, liquid and solid samples with high throughput. A major problem in analysis of gaseous samples is its poor detection sensitivity due to open-air sampling. Recently, the confined DART ion source (cDART) was developed, where the plasma generated by the atmospheric pressure glow discharge ionizes gas-phase molecules in a Tee-shaped flow tube instead of open air. It leads to significant increase of ionization efficiency of gaseous samples. In this study, the cDART source was modified and applied in online analysis of exhaled breath. The limit of detection of the improved cDART source was determined to be at the level of low ppb. The cDART source was used in the real-time monitoring of an oral anesthetic drug. The concentration variations of two active ingredients in exhaled breath, menthol and benzocaine, and their metabolites with time were obtained. The results show that the cDART ion source is a powerful analytical tool to provide high sensitivity and high throughput analysis for volatile organic compounds in human breath, and can find potential applications in clinical diagnosis and therapy.},\n\tjournal = {Analytical Methods},\n\tauthor = {Li, Yue},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Human breath is composed of many volatile metabolites that can potentially provide information about a person's health status. A sensitive assay to identify these volatile organic compounds as biomarker is ideal and important for early detection of many diseases. However, the diagnosis through online breath analysis based on mass spectrometry is difficult due to the low concentration of pertinent compounds in breath. The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique, which can efficiently ionize gaseous, liquid and solid samples with high throughput. A major problem in analysis of gaseous samples is its poor detection sensitivity due to open-air sampling. Recently, the confined DART ion source (cDART) was developed, where the plasma generated by the atmospheric pressure glow discharge ionizes gas-phase molecules in a Tee-shaped flow tube instead of open air. It leads to significant increase of ionization efficiency of gaseous samples. In this study, the cDART source was modified and applied in online analysis of exhaled breath. The limit of detection of the improved cDART source was determined to be at the level of low ppb. The cDART source was used in the real-time monitoring of an oral anesthetic drug. The concentration variations of two active ingredients in exhaled breath, menthol and benzocaine, and their metabolites with time were obtained. The results show that the cDART ion source is a powerful analytical tool to provide high sensitivity and high throughput analysis for volatile organic compounds in human breath, and can find potential applications in clinical diagnosis and therapy.\n
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\n \n\n \n \n \n \n \n \n The use HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS for rapid analysis of degradation by oxidation and sonication of an azo dye.\n \n \n \n \n\n\n \n Djelal, H.; Cornée, C.; Tartivel, R.; Lavastre, O.; and Amrane, A.\n\n\n \n\n\n\n Arabian Journal of Chemistry, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{djelal_use_2013,\n\ttitle = {The use {HPTLC} and {Direct} {Analysis} in {Real} {Time}-{Of}-{Flight} {Mass} {Spectrometry} {DART}-{TOF}-{MS} for rapid analysis of degradation by oxidation and sonication of an azo dye},\n\tissn = {1878-5352},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1878535213001676},\n\tdoi = {10.1016/j.arabjc.2013.06.003},\n\tabstract = {Abstract \nAdvanced oxidation processes are efficient for the removal of recalcitrant compounds, like azo-dyes. However, the intermediates produced during their degradation can be more toxic than the parent compounds. Improving the knowledge concerning the degradation pathways may be therefore helpful to optimize the process. In this aim, HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS were considered and applied to analyze the sono-oxidation of an azo dye, methyl red sodium salt (MRSS) as a model compound. Initial and final UV-Vis spectra showed a clear disappearance of the maximum absorption peak, but shows limit since it cannot allow by-products identification. MRSS degradation was confirmed by HPTLC, which also confirmed that MRSS degradation was mainly due to oxidation, while in the considered experimental conditions the sonication effect appeared negligible. Three major peaks were observed by DART-TOF-MS after MRSS oxidation, m/z=139.002, m/z=223.073 and m/z=279.137, Relative abundance of m/z=139.002, which was much higher after oxidation, tends to prove that a large proportion of initial oxydized MRSS was fragmented. The MRSS m/z = 270.078. The coupling of HPTLC and DART-TOF-MS may be subsequently considered to identify the oxidation reaction products.},\n\tnumber = {0},\n\tjournal = {Arabian Journal of Chemistry},\n\tauthor = {Djelal, Hayet and Cornée, Carole and Tartivel, Ronan and Lavastre, Olivier and Amrane, Abdeltif},\n\tyear = {2013},\n\tkeywords = {Azo dyes, DART-TOF-MS, HPTLC, MRSS, Sono-oxidation},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Advanced oxidation processes are efficient for the removal of recalcitrant compounds, like azo-dyes. However, the intermediates produced during their degradation can be more toxic than the parent compounds. Improving the knowledge concerning the degradation pathways may be therefore helpful to optimize the process. In this aim, HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS were considered and applied to analyze the sono-oxidation of an azo dye, methyl red sodium salt (MRSS) as a model compound. Initial and final UV-Vis spectra showed a clear disappearance of the maximum absorption peak, but shows limit since it cannot allow by-products identification. MRSS degradation was confirmed by HPTLC, which also confirmed that MRSS degradation was mainly due to oxidation, while in the considered experimental conditions the sonication effect appeared negligible. Three major peaks were observed by DART-TOF-MS after MRSS oxidation, m/z=139.002, m/z=223.073 and m/z=279.137, Relative abundance of m/z=139.002, which was much higher after oxidation, tends to prove that a large proportion of initial oxydized MRSS was fragmented. The MRSS m/z = 270.078. The coupling of HPTLC and DART-TOF-MS may be subsequently considered to identify the oxidation reaction products.\n
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\n \n\n \n \n \n \n \n \n Real time in situ chemical characterization of sub-micron organic aerosols using Direct Analysis in Real Time mass spectrometry (DART-MS): the effect of aerosol size and volatility.\n \n \n \n \n\n\n \n Chan, M. N.; Nah, T.; and Wilson, K. R.\n\n\n \n\n\n\n Analyst. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RealPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chan_real_2013,\n\ttitle = {Real time in situ chemical characterization of sub-micron organic aerosols using {Direct} {Analysis} in {Real} {Time} mass spectrometry ({DART}-{MS}): the effect of aerosol size and volatility},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00168G},\n\tdoi = {10.1039/C3AN00168G},\n\tabstract = {Direct Analysis in Real Time (DART) mass spectrometry is an atmospheric pressure ionization technique suitable for in situ chemical analysis of organic aerosols. Here, mass spectra are obtained by introducing a stream of nanometer-sized aerosols into the ionization region, which is an open space between the ion source and the atmospheric inlet of mass spectrometer. Model single component aerosols are used to show how the aerosol size and volatility influence the measured ion signals at different DART gas temperatures. The results show that for equivalent aerosol mass concentrations, the ion signal scales with particle surface area, with smaller diameter oleic acid aerosols yielding higher ion signals relative to larger diameter aerosols. For the aerosols of the same size, but different vapor pressures, the ion signal is larger for more volatile succinic acid aerosols than less volatile adipic and suberic acid particles. From the measured changes in aerosol size, produced by the DART source, the radial probing depth for these model aerosols range from 1 to 10 nm, the magnitude of which depends upon the physiochemical properties of the aerosols and DART gas temperature. An aerosol evaporation model reveals that the ion signal is correlated with changes in aerosol size and depends upon the total quantity of evaporated aerosol mass, consistent with a mechanism in which gas-phase molecules are first desorbed from the aerosol surface prior to ionization. The results of this work serve as a basis for future investigations of the mass spectra, ionization pathways, and probing depth of the aerosols using DART.},\n\tjournal = {Analyst},\n\tauthor = {Chan, Man Nin and Nah, Theodora and Wilson, Kevin R.},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART) mass spectrometry is an atmospheric pressure ionization technique suitable for in situ chemical analysis of organic aerosols. Here, mass spectra are obtained by introducing a stream of nanometer-sized aerosols into the ionization region, which is an open space between the ion source and the atmospheric inlet of mass spectrometer. Model single component aerosols are used to show how the aerosol size and volatility influence the measured ion signals at different DART gas temperatures. The results show that for equivalent aerosol mass concentrations, the ion signal scales with particle surface area, with smaller diameter oleic acid aerosols yielding higher ion signals relative to larger diameter aerosols. For the aerosols of the same size, but different vapor pressures, the ion signal is larger for more volatile succinic acid aerosols than less volatile adipic and suberic acid particles. From the measured changes in aerosol size, produced by the DART source, the radial probing depth for these model aerosols range from 1 to 10 nm, the magnitude of which depends upon the physiochemical properties of the aerosols and DART gas temperature. An aerosol evaporation model reveals that the ion signal is correlated with changes in aerosol size and depends upon the total quantity of evaporated aerosol mass, consistent with a mechanism in which gas-phase molecules are first desorbed from the aerosol surface prior to ionization. The results of this work serve as a basis for future investigations of the mass spectra, ionization pathways, and probing depth of the aerosols using DART.\n
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\n \n\n \n \n \n \n \n \n Mass spectrometry-based metabolomic fingerprinting for screening cold tolerance in Arabidopsis thaliana accessions.\n \n \n \n \n\n\n \n Vaclavik, L.; Mishra, A.; Mishra, K.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–13. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MassPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{vaclavik_mass_2013,\n\ttitle = {Mass spectrometry-based metabolomic fingerprinting for screening cold tolerance in {Arabidopsis} thaliana accessions},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-6692-1},\n\tdoi = {10.1007/s00216-012-6692-1},\n\tabstract = {The availability of rapid and reliable tools for monitoring of plants’ cold tolerance is a prerequisite for research aimed at breeding of cold-tolerant crop plants. Therefore, we have tested the capacity of metabolomics-based methods employing ultra-high-performance liquid chromatography (UHPLC)–mass spectrometry and direct analysis in real time–mass spectrometry for high-throughput screening of cold tolerance in eight differentially cold-tolerant accessions of Arabidopsis thaliana. Metabolomic fingerprinting of leaf tissues was performed in methanolic extracts for (1) 6-week-old non-acclimated (NAC) plants grown at room temperature, (2) NAC plants cold-acclimated (ACC) at 4 °C for 2 weeks, and (3) cold-acclimated plants given sub-zero-temperature treatments by slow cooling at −4 °C for 8 h. The generated chromatograms and mass spectra were processed with the use of multivariate statistical analysis employing principal component analysis (PCA) and linear discriminant analysis. The PCA of metabolomic fingerprints classified the investigated A. thaliana accessions into three categories with low, intermediate, and high cold tolerance for both the cold-acclimated and the sub-zero-temperature-treated plants. This indicates the potential application of metabolomics-based fingerprinting for measuring cold tolerance in the cold-acclimated state, i.e., without treating plants at freezing temperatures that is required by currently available methods. Furthermore, we employed UHPLC coupled to the quadrupole-time-of-flight mass spectrometry to identify characteristic metabolites in ACC state and found the abundance of gluconapin and flavon-3-ol glycosides, respectively, in the cold-sensitive and the cold-tolerant accessions.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Vaclavik, Lukas and Mishra, Anamika and Mishra, KumudB. and Hajslova, Jana},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {Arabidopsis thaliana, Chemometric analysis, Cold tolerance, DART–MS, LC–MS, Metabolomic fingerprinting},\n\tpages = {1--13},\n}\n\n\n\n
\n
\n\n\n
\n The availability of rapid and reliable tools for monitoring of plants’ cold tolerance is a prerequisite for research aimed at breeding of cold-tolerant crop plants. Therefore, we have tested the capacity of metabolomics-based methods employing ultra-high-performance liquid chromatography (UHPLC)–mass spectrometry and direct analysis in real time–mass spectrometry for high-throughput screening of cold tolerance in eight differentially cold-tolerant accessions of Arabidopsis thaliana. Metabolomic fingerprinting of leaf tissues was performed in methanolic extracts for (1) 6-week-old non-acclimated (NAC) plants grown at room temperature, (2) NAC plants cold-acclimated (ACC) at 4 °C for 2 weeks, and (3) cold-acclimated plants given sub-zero-temperature treatments by slow cooling at −4 °C for 8 h. The generated chromatograms and mass spectra were processed with the use of multivariate statistical analysis employing principal component analysis (PCA) and linear discriminant analysis. The PCA of metabolomic fingerprints classified the investigated A. thaliana accessions into three categories with low, intermediate, and high cold tolerance for both the cold-acclimated and the sub-zero-temperature-treated plants. This indicates the potential application of metabolomics-based fingerprinting for measuring cold tolerance in the cold-acclimated state, i.e., without treating plants at freezing temperatures that is required by currently available methods. Furthermore, we employed UHPLC coupled to the quadrupole-time-of-flight mass spectrometry to identify characteristic metabolites in ACC state and found the abundance of gluconapin and flavon-3-ol glycosides, respectively, in the cold-sensitive and the cold-tolerant accessions.\n
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\n \n\n \n \n \n \n \n \n Newborn screening of phenylketonuria using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Wang, C.; Zhu, H.; Cai, Z.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. February 2013.\n \n\n\n\n
\n\n\n\n \n \n \"NewbornPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wang_newborn_2013,\n\ttitle = {Newborn screening of phenylketonuria using direct analysis in real time ({DART}) mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6713-8},\n\tdoi = {10.1007/s00216-013-6713-8},\n\tabstract = {Phenylketonuria (PKU) is commonly included in the newborn screening panel of most countries, with various techniques being used for quantification of l-phenylalanine (Phe). To diagnose PKU as early as possible in newborn screening, a rapid and simple method of analysis was developed. Using direct analysis in real time (DART) ionization coupled with triple-quadrupole tandem mass spectrometry (TQ-MS/MS) and with use of a 12 DIP-it tip scanner autosampler in positive ion mode, we analyzed dried blood spot (DBS) samples from PKU newborns. The concentration of Phe was determined using multiple reaction monitoring mode with the nondeuterated internal standard N,N-dimethylphenylalanine. The results of the analysis of DBS samples from newborns indicated that the DART-TQ-MS/MS method is fast, accurate, and reproducible. The results prove that this assay as a newborn screen for PKU can be performed in 18 s per sample for the quantification of Phe in DBS samples. DART-TQ-MS/MS analysis of the Phe concentration in DBS samples allowed us to screen newborns for PKU. This innovative protocol is rapid and can be effectively applied on a routine basis to analyze a large number of samples in PKU newborn screening and PKU patient monitoring.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Wang, Chunyan and Zhu, Hongbin and Cai, Zongwei and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tmonth = feb,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time (DART) triple-quadrupole tandem mass spectrometry, Dried blood spot, Phenylalanine, Phenylketonuria},\n\tpages = {1--6},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Phenylketonuria (PKU) is commonly included in the newborn screening panel of most countries, with various techniques being used for quantification of l-phenylalanine (Phe). To diagnose PKU as early as possible in newborn screening, a rapid and simple method of analysis was developed. Using direct analysis in real time (DART) ionization coupled with triple-quadrupole tandem mass spectrometry (TQ-MS/MS) and with use of a 12 DIP-it tip scanner autosampler in positive ion mode, we analyzed dried blood spot (DBS) samples from PKU newborns. The concentration of Phe was determined using multiple reaction monitoring mode with the nondeuterated internal standard N,N-dimethylphenylalanine. The results of the analysis of DBS samples from newborns indicated that the DART-TQ-MS/MS method is fast, accurate, and reproducible. The results prove that this assay as a newborn screen for PKU can be performed in 18 s per sample for the quantification of Phe in DBS samples. DART-TQ-MS/MS analysis of the Phe concentration in DBS samples allowed us to screen newborns for PKU. This innovative protocol is rapid and can be effectively applied on a routine basis to analyze a large number of samples in PKU newborn screening and PKU patient monitoring.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time-mass spectrometry (DART-MS) for rapid qualitative screening of toxic glycols in glycerin-containing products.\n \n \n \n \n\n\n \n Self, R. L.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{self_direct_2013,\n\ttitle = {Direct analysis in real time-mass spectrometry ({DART}-{MS}) for rapid qualitative screening of toxic glycols in glycerin-containing products},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708513001052},\n\tdoi = {10.1016/j.jpba.2013.02.037},\n\tabstract = {In 2007, the United States Food and Drug Administration released guidance recommending testing of glycerin used in regulated consumer products, such as cough syrup preparations, toothpaste, and other pharmaceutical and food products, for the toxic compounds ethylene glycol and diethylene glycol. Regulatory laboratories routinely test glycerin, and products containing glycerin or related compounds for these toxic glycols, using an official gas chromatographic method, to ensure the safety of these products. The current work describes a companion technique to compliment this GC-FID method utilizing Orbitrap mass spectrometry with direct analysis in real time ionization to rapidly screen these samples qualitatively, with results in as little as five seconds, with no sample preparation required. This allows the more time and resource intensive method to be reserved for those rare cases when these compounds are detected, potentially greatly improving laboratory efficiency. The technique was evaluated for qualitative sensitivity and repeatability, and compared against the GC-FID method. The method appears to perform well against these metrics.},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Self, Randy L.},\n\tyear = {2013},\n\tkeywords = {Diethylene glycol, Direct analysis in real time, Ethylene glycol, Glycerin, Orbitrap},\n}\n\n\n\n
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\n\n\n
\n In 2007, the United States Food and Drug Administration released guidance recommending testing of glycerin used in regulated consumer products, such as cough syrup preparations, toothpaste, and other pharmaceutical and food products, for the toxic compounds ethylene glycol and diethylene glycol. Regulatory laboratories routinely test glycerin, and products containing glycerin or related compounds for these toxic glycols, using an official gas chromatographic method, to ensure the safety of these products. The current work describes a companion technique to compliment this GC-FID method utilizing Orbitrap mass spectrometry with direct analysis in real time ionization to rapidly screen these samples qualitatively, with results in as little as five seconds, with no sample preparation required. This allows the more time and resource intensive method to be reserved for those rare cases when these compounds are detected, potentially greatly improving laboratory efficiency. The technique was evaluated for qualitative sensitivity and repeatability, and compared against the GC-FID method. The method appears to perform well against these metrics.\n
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\n \n\n \n \n \n \n \n \n Semi-quantitative analysis of contaminants in soils by direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(2): 305–318. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Semi-quantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{grange_semi-quantitative_2013,\n\ttitle = {Semi-quantitative analysis of contaminants in soils by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6450},\n\tdoi = {10.1002/rcm.6450},\n\tabstract = {RATIONALE \n \nCleaning up contaminated sites is a goal of the U.S. Environmental Protection Agency (EPA). A simple, high-throughput, inexpensive, selective, and specific screening method for semi-volatile, polar organic contaminants would provide high spatial resolution for monitoring remediation and for documenting successful clean ups in numerous Superfund, Brownfield, and other contaminated sites. \n \nMETHODS \n \nAn autosampler/Direct Analysis in Real Time (DART)/time-of-flight (TOF) mass spectrometer, with or without a Vapur® evacuated flange, was used to analyze 0.01–33\\% levels of aspirin, diphenylamine, and pentachlorophenol mixed with soil. Triplicate water-soaked swabs were manually rotated in wet analyte:soil mixtures, air dried for 2–3 h, and analyzed directly. To minimize carryover, insensitive and sensitive instrumental conditions were used to analyze high and low analyte levels, respectively. Simulated two-dimensional (2D) mapping and remediation threshold experiments were performed to test the utility of DART-TOFMS for possible sampling strategies. \n \nRESULTS \n \nAnalyte levels differing by factors of 10 were discernible. Data were acquired for 30 swabs in 0.9 min and 3 min with helium stream temperatures of 150 °C and 250 °C and swab transport velocities of 1.45 cm/s and 0.5 cm/s, respectively. With the Vapur flange attached, the average relative standard deviations (RSDs) (n = 3) were between 16\\% and 40\\% for different analytes and analyte levels. Carryover was greatly reduced by removing the Vapur flange, but higher RSDs and occasional plugging of the cone orifice were observed. \n \nCONCLUSIONS \n \nA rapid, simple, rugged, and relatively inexpensive, but selective and sufficiently sensitive, semi-quantitative screening method for semi-volatile, polar, organic compounds in soil was demonstrated. The technique would provide the high spatial resolution necessary to find localized areas of high contamination within contaminated sites that might pose a risk to human and ecological health. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {2},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H.},\n\tmonth = jan,\n\tyear = {2013},\n\tpages = {305--318},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Cleaning up contaminated sites is a goal of the U.S. Environmental Protection Agency (EPA). A simple, high-throughput, inexpensive, selective, and specific screening method for semi-volatile, polar organic contaminants would provide high spatial resolution for monitoring remediation and for documenting successful clean ups in numerous Superfund, Brownfield, and other contaminated sites. METHODS An autosampler/Direct Analysis in Real Time (DART)/time-of-flight (TOF) mass spectrometer, with or without a Vapur® evacuated flange, was used to analyze 0.01–33% levels of aspirin, diphenylamine, and pentachlorophenol mixed with soil. Triplicate water-soaked swabs were manually rotated in wet analyte:soil mixtures, air dried for 2–3 h, and analyzed directly. To minimize carryover, insensitive and sensitive instrumental conditions were used to analyze high and low analyte levels, respectively. Simulated two-dimensional (2D) mapping and remediation threshold experiments were performed to test the utility of DART-TOFMS for possible sampling strategies. RESULTS Analyte levels differing by factors of 10 were discernible. Data were acquired for 30 swabs in 0.9 min and 3 min with helium stream temperatures of 150 °C and 250 °C and swab transport velocities of 1.45 cm/s and 0.5 cm/s, respectively. With the Vapur flange attached, the average relative standard deviations (RSDs) (n = 3) were between 16% and 40% for different analytes and analyte levels. Carryover was greatly reduced by removing the Vapur flange, but higher RSDs and occasional plugging of the cone orifice were observed. CONCLUSIONS A rapid, simple, rugged, and relatively inexpensive, but selective and sufficiently sensitive, semi-quantitative screening method for semi-volatile, polar, organic compounds in soil was demonstrated. The technique would provide the high spatial resolution necessary to find localized areas of high contamination within contaminated sites that might pose a risk to human and ecological health. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Monitoring batch-to-batch reproducibility using direct analysis in real time mass spectrometry and multivariate analysis: A case study on precipitation.\n \n \n \n \n\n\n \n Zeng, S.; Chen, T.; Wang, L.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 76(0): 87–95. March 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MonitoringPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zeng_monitoring_2013,\n\ttitle = {Monitoring batch-to-batch reproducibility using direct analysis in real time mass spectrometry and multivariate analysis: {A} case study on precipitation},\n\tvolume = {76},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708512006863},\n\tdoi = {10.1016/j.jpba.2012.12.014},\n\tabstract = {Batch-to-batch variability of traditional Chinese medicine (TCM) has already heavily limited its industrial development. By utilizing direct analysis in real time mass spectrometry (DART-MS) and multivariate statistical analysis, the present study introduced a novel and rapid methodology for TCM manufacturing process monitoring. Danshen alkaline precipitation was employed as an example operating unit to demonstrate the effectiveness of this new technique. A total of 15 batches run under normal operating conditions were used to develop a reference principal component analysis model and then enabled the establishment of multivariate control charts. Hotteling T2 and DModX charts were applied to examine batch-to-batch reproducibility of 12 test batches. Artificial variations including starting material change and process fault were identified, which was in a good agreement with conventional analysis result. Further understanding of the deviating process behavior was achieved by investigating the contribution plot of abnormal batches. The results showed that DART-MS, in conjunction with multivariate analysis, provided valuable information on model process and gave us a new perspective for TCM manufacturing process monitoring.},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Zeng, Shanshan and Chen, Teng and Wang, Lu and Qu, Haibin},\n\tmonth = mar,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Manufacturing process monitoring, Multivariate control charts, Traditional Chinese medicine, mass spectrometry},\n\tpages = {87--95},\n}\n\n\n\n
\n
\n\n\n
\n Batch-to-batch variability of traditional Chinese medicine (TCM) has already heavily limited its industrial development. By utilizing direct analysis in real time mass spectrometry (DART-MS) and multivariate statistical analysis, the present study introduced a novel and rapid methodology for TCM manufacturing process monitoring. Danshen alkaline precipitation was employed as an example operating unit to demonstrate the effectiveness of this new technique. A total of 15 batches run under normal operating conditions were used to develop a reference principal component analysis model and then enabled the establishment of multivariate control charts. Hotteling T2 and DModX charts were applied to examine batch-to-batch reproducibility of 12 test batches. Artificial variations including starting material change and process fault were identified, which was in a good agreement with conventional analysis result. Further understanding of the deviating process behavior was achieved by investigating the contribution plot of abnormal batches. The results showed that DART-MS, in conjunction with multivariate analysis, provided valuable information on model process and gave us a new perspective for TCM manufacturing process monitoring.\n
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\n \n\n \n \n \n \n \n \n DIRECT ANALYSIS IN REAL TIME / TIME OF FLIGHT MASS SPECTROMETRY: INVESTIGATIONS ON PARAMETERS FOR THE COUPLING WITH LIQUID PHASE SAMPLE INTRODUCTION TECHNIQUES.\n \n \n \n \n\n\n \n Hintersteiner, I.; Hertsens, R.; and Klampfl, C. W.\n\n\n \n\n\n\n Journal of Liquid Chromatography & Related Technologies,null–null. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DIRECTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{hintersteiner_direct_2013,\n\ttitle = {{DIRECT} {ANALYSIS} {IN} {REAL} {TIME} / {TIME} {OF} {FLIGHT} {MASS} {SPECTROMETRY}: {INVESTIGATIONS} {ON} {PARAMETERS} {FOR} {THE} {COUPLING} {WITH} {LIQUID} {PHASE} {SAMPLE} {INTRODUCTION} {TECHNIQUES}},\n\tissn = {1082-6076},\n\turl = {http://dx.doi.org/10.1080/10826076.2013.825846},\n\tdoi = {10.1080/10826076.2013.825846},\n\tabstract = {Studies for the evaluation of a lab made liquid jet interface designed for the coupling of Direct Analysis in Real Time (DART) time-of-flight mass spectrometry (TOF-MS) with liquid phase sample introduction systems such as flow injection analysis (FIA) or high performance liquid chromatography (HPLC) have been performed. Thereby a substantial influence of parameters like surface/volume ratio (determined by the inner diameter of the capillary employed) of the liquid jet as well as the composition of the eluent (with respect to the concentration of electrolyte and organic solvent) on signal intensities could be detected. Comparison of the developed interface with other more common interface types (based on electrospray ionization, atmospheric pressure chemical ionization and atmospheric pressure photoionization) was carried out on the example of a test mixture containing four parabens spiked into biological fluid samples. DART ionization proved superior when employed in combination with FIA as it was less affected by matrix effects resulting in ionization suppression. On the other hand if at least partial separation of the matrix/analytes was performed by using short chromatographic columns, the other ionization techniques turned out to be the better choice primarily due to their increased sensitivity.},\n\turldate = {2013-09-19},\n\tjournal = {Journal of Liquid Chromatography \\& Related Technologies},\n\tauthor = {Hintersteiner, Ingrid and Hertsens, Robert and Klampfl, Christian W.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
\n
\n\n\n
\n Studies for the evaluation of a lab made liquid jet interface designed for the coupling of Direct Analysis in Real Time (DART) time-of-flight mass spectrometry (TOF-MS) with liquid phase sample introduction systems such as flow injection analysis (FIA) or high performance liquid chromatography (HPLC) have been performed. Thereby a substantial influence of parameters like surface/volume ratio (determined by the inner diameter of the capillary employed) of the liquid jet as well as the composition of the eluent (with respect to the concentration of electrolyte and organic solvent) on signal intensities could be detected. Comparison of the developed interface with other more common interface types (based on electrospray ionization, atmospheric pressure chemical ionization and atmospheric pressure photoionization) was carried out on the example of a test mixture containing four parabens spiked into biological fluid samples. DART ionization proved superior when employed in combination with FIA as it was less affected by matrix effects resulting in ionization suppression. On the other hand if at least partial separation of the matrix/analytes was performed by using short chromatographic columns, the other ionization techniques turned out to be the better choice primarily due to their increased sensitivity.\n
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\n \n\n \n \n \n \n \n \n Transmission mode direct analysis in real time mass spectrometry for fast untargeted metabolic fingerprinting.\n \n \n \n \n\n\n \n Jones, C. M.; and Fernández, F. M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(12): 1311–1318. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"TransmissionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jones_transmission_2013,\n\ttitle = {Transmission mode direct analysis in real time mass spectrometry for fast untargeted metabolic fingerprinting},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6566},\n\tdoi = {10.1002/rcm.6566},\n\tabstract = {RATIONALE \n \nUntargeted metabolic fingerprinting is a discovery tool to better understand biochemical processes involved in detecting and characterizing disease states and responses to environmental stressors. Although current mass spectrometric (MS) methods are very powerful, there is a clear need for more rapid, high-throughput MS approaches for metabolomics studies. \n \nMETHODS \n \nA rapid metabolic fingerprinting method for human blood sera that utilizes a new transmission mode direct analysis in real time (TM-DART) sampling technique coupled with quadrupole time of flight mass spectrometry (QTOFMS) is presented. In this approach, the sample is deposited directly on a stainless steel mesh that is held in the ionization region by a custom-built module. As a result, the DART plasma gas stream interacts with the sample in a flow-through fashion, which maximizes the interaction between the sample and ionizing species and minimizes variance in sample positioning. \n \nRESULTS \n \nThe optimization of TM-DART parameters directly affecting metabolite desorption and ionization, such as sample position and ionizing gas desorption temperature, was critical in achieving high sensitivity and detecting a broad mass range of metabolites. Ramping the ionizing gas desorption temperature further enhanced analysis by adding a simple separation dimension to this ambient approach. In terms of reproducibility, TM-DART compared favorably with traditional probe mode (PM-) DART analysis, with coefficients of variation as low as 16\\%. The longer-lasting TM-DART signals enabled the acquisition of metabolite full scan and product ion accurate mass spectra in a single experiment, resulting in greater confidence in metabolite identification. \n \nCONCLUSIONS \n \nTM-DART MS proved to be a powerful analytical technique for rapid metabolome analysis of human blood sera. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {12},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Jones, Christina M. and Fernández, Facundo M.},\n\tmonth = jun,\n\tyear = {2013},\n\tpages = {1311--1318},\n}\n\n\n\n
\n
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\n RATIONALE Untargeted metabolic fingerprinting is a discovery tool to better understand biochemical processes involved in detecting and characterizing disease states and responses to environmental stressors. Although current mass spectrometric (MS) methods are very powerful, there is a clear need for more rapid, high-throughput MS approaches for metabolomics studies. METHODS A rapid metabolic fingerprinting method for human blood sera that utilizes a new transmission mode direct analysis in real time (TM-DART) sampling technique coupled with quadrupole time of flight mass spectrometry (QTOFMS) is presented. In this approach, the sample is deposited directly on a stainless steel mesh that is held in the ionization region by a custom-built module. As a result, the DART plasma gas stream interacts with the sample in a flow-through fashion, which maximizes the interaction between the sample and ionizing species and minimizes variance in sample positioning. RESULTS The optimization of TM-DART parameters directly affecting metabolite desorption and ionization, such as sample position and ionizing gas desorption temperature, was critical in achieving high sensitivity and detecting a broad mass range of metabolites. Ramping the ionizing gas desorption temperature further enhanced analysis by adding a simple separation dimension to this ambient approach. In terms of reproducibility, TM-DART compared favorably with traditional probe mode (PM-) DART analysis, with coefficients of variation as low as 16%. The longer-lasting TM-DART signals enabled the acquisition of metabolite full scan and product ion accurate mass spectra in a single experiment, resulting in greater confidence in metabolite identification. CONCLUSIONS TM-DART MS proved to be a powerful analytical technique for rapid metabolome analysis of human blood sera. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Capabilities and limitations of direct analysis in real time orbitrap mass spectrometry and tandem mass spectrometry for the analysis of synthetic and natural polymers.\n \n \n \n \n\n\n \n Bridoux, M. C.; and Machuron-Mandard, X.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(18): 2057–2070. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CapabilitiesPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{bridoux_capabilities_2013,\n\ttitle = {Capabilities and limitations of direct analysis in real time orbitrap mass spectrometry and tandem mass spectrometry for the analysis of synthetic and natural polymers},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6664},\n\tdoi = {10.1002/rcm.6664},\n\tabstract = {RATIONALE\n\nDespite the widespread use of direct analysis in real time mass spectrometry (DART-MS), its capabilities in terms of accessible mass range and the types of polymers that can be analysed are not well known. The goal of this work was to evaluate the capabilities and limitations of this ionization technique combined with orbitrap mass spectrometry and tandem mass spectrometry, for the characterization (structural and polydispersity metrics) of various synthetic and natural polymers.\n\nMETHODS\n\nThe capabilities and limitations of DART-MS (and -MS2), using an orbitrap mass spectrometer, for polymer analysis were evaluated using various industrial synthetic polymers and biopolymers. Stainless steel mesh screens secured on a movable rail were used as the sampling surface, onto which 5 μL of various polymers dissolved in tetrahydrofuran were added. Assignment of spectral features and calculation of molecular weight and polydispersity metrics were performed using Polymerix™ software and the results were compared with those obtained by gel-permeation chromatography (GPC).\n\nRESULTS\n\nProtonated oligomers and ammonium adducts were instantaneously detected as the major ionisation products in positive ion mode. Only perfluoropolyethers (PFPEs) were ionised in negative mode and detected as [M]–. ions. Only singly charged molecular species were observed for all oligomers under study, allowing for a rapid determination of the molecular weight and polydispersity metrics of polymers. At elevated DART gas temperatures (400–500°C) the molecular weight and polydispersity metrics compared fairly well with those obtained by GPC, with polymers whose masses ranged from 200 g.mol–1 to 4000 g.mol–1.\n\nCONCLUSIONS\n\nDART-MS allowed the direct and rapid analysis (mass spectra and tandem mass spectra of all the polymers were acquired in seconds) based on the exact masses of their [M+H]+ and [M+NH4]+ ions (in the positive mode) or [M]–. ions (for polymers having a high sensitivity toward electron-capture ionisation such as PFPEs), as well as the exact masses of their product ions, for both synthetic and natural polymers under ambient conditions without any sample pre-treatment. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {18},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Bridoux, Maxime C. and Machuron-Mandard, Xavier},\n\tyear = {2013},\n\tpages = {2057--2070},\n}\n\n\n\n
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\n\n\n
\n RATIONALE Despite the widespread use of direct analysis in real time mass spectrometry (DART-MS), its capabilities in terms of accessible mass range and the types of polymers that can be analysed are not well known. The goal of this work was to evaluate the capabilities and limitations of this ionization technique combined with orbitrap mass spectrometry and tandem mass spectrometry, for the characterization (structural and polydispersity metrics) of various synthetic and natural polymers. METHODS The capabilities and limitations of DART-MS (and -MS2), using an orbitrap mass spectrometer, for polymer analysis were evaluated using various industrial synthetic polymers and biopolymers. Stainless steel mesh screens secured on a movable rail were used as the sampling surface, onto which 5 μL of various polymers dissolved in tetrahydrofuran were added. Assignment of spectral features and calculation of molecular weight and polydispersity metrics were performed using Polymerix™ software and the results were compared with those obtained by gel-permeation chromatography (GPC). RESULTS Protonated oligomers and ammonium adducts were instantaneously detected as the major ionisation products in positive ion mode. Only perfluoropolyethers (PFPEs) were ionised in negative mode and detected as [M]–. ions. Only singly charged molecular species were observed for all oligomers under study, allowing for a rapid determination of the molecular weight and polydispersity metrics of polymers. At elevated DART gas temperatures (400–500°C) the molecular weight and polydispersity metrics compared fairly well with those obtained by GPC, with polymers whose masses ranged from 200 g.mol–1 to 4000 g.mol–1. CONCLUSIONS DART-MS allowed the direct and rapid analysis (mass spectra and tandem mass spectra of all the polymers were acquired in seconds) based on the exact masses of their [M+H]+ and [M+NH4]+ ions (in the positive mode) or [M]–. ions (for polymers having a high sensitivity toward electron-capture ionisation such as PFPEs), as well as the exact masses of their product ions, for both synthetic and natural polymers under ambient conditions without any sample pre-treatment. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Real Time In Situ Chemical Characterization of Sub-micron Organic Particles Using Direct Analysis in Real Time Mass Spectrometry (DART-MS).\n \n \n \n \n\n\n \n Nah, T.; Chan, M.; Leone, S. R; and Wilson, K. R.\n\n\n \n\n\n\n Analytical Chemistry. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RealPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{nah_real_2013,\n\ttitle = {Real {Time} {In} {Situ} {Chemical} {Characterization} of {Sub}-micron {Organic} {Particles} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS})},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac302560c},\n\tdoi = {10.1021/ac302560c},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) is used to analyze the chemical composition of nanometer-sized organic aerosol particles in real time at atmospheric pressure. By introducing a stream of particles in between the DART ionization source and the atmospheric pressure inlet of the mass spectrometer, the aerosol is exposed to a thermal flow of helium gas containing some fraction of metastable helium atoms. In this configuration, the molecular constituents of organic particles are desorbed, ionized and detected with reduced molecular ion fragmentation, allowing for compositional identification. Aerosol components that are detected include alkanes, alkenes, acids, esters, alcohols, aldehydes and amino acids. The ion signal produced by DART-MS scales with the aerosol surface area rather than particle volume, suggesting that DART-MS is a viable technique to measure the chemical composition of the particle interface. For oleic acid, particle size measurements of the aerosol stream exiting the ionization region suggest that the probing depth depends upon the desorption temperature. The probing depth is observed to depend upon desorption temperature and is estimated to be on the order of 5 nm for a 185 nm diameter particle at a DART heater temperature of 500 °C. The reaction of ozone with sub-micron oleic acid particles is measured to demonstrate the ability of this technique to identify products and quantify reaction rates in a heterogeneous reaction.},\n\turldate = {2013-01-22},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nah, Theodora and Chan, ManNin and Leone, Stephen R and Wilson, Kevin R.},\n\tmonth = jan,\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) is used to analyze the chemical composition of nanometer-sized organic aerosol particles in real time at atmospheric pressure. By introducing a stream of particles in between the DART ionization source and the atmospheric pressure inlet of the mass spectrometer, the aerosol is exposed to a thermal flow of helium gas containing some fraction of metastable helium atoms. In this configuration, the molecular constituents of organic particles are desorbed, ionized and detected with reduced molecular ion fragmentation, allowing for compositional identification. Aerosol components that are detected include alkanes, alkenes, acids, esters, alcohols, aldehydes and amino acids. The ion signal produced by DART-MS scales with the aerosol surface area rather than particle volume, suggesting that DART-MS is a viable technique to measure the chemical composition of the particle interface. For oleic acid, particle size measurements of the aerosol stream exiting the ionization region suggest that the probing depth depends upon the desorption temperature. The probing depth is observed to depend upon desorption temperature and is estimated to be on the order of 5 nm for a 185 nm diameter particle at a DART heater temperature of 500 °C. The reaction of ozone with sub-micron oleic acid particles is measured to demonstrate the ability of this technique to identify products and quantify reaction rates in a heterogeneous reaction.\n
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\n \n\n \n \n \n \n \n \n Detection of Caffeine in Tea, Instant Coffee, Green Tea Beverage, and Soft Drink by Direct Analysis in Real Time (DART) Source Coupled to Single-Quadrupole Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, L.; Zhao, P.; Zhang, F.; Bai, A.; and Pan, C.\n\n\n \n\n\n\n Journal of AOAC International, 96(2): 353–356. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_detection_2013,\n\ttitle = {Detection of {Caffeine} in {Tea}, {Instant} {Coffee}, {Green} {Tea} {Beverage}, and {Soft} {Drink} by {Direct} {Analysis} in {Real} {Time} ({DART}) {Source} {Coupled} to {Single}-{Quadrupole} {Mass} {Spectrometry}},\n\tvolume = {96},\n\turl = {http://www.ingentaconnect.com/content/aoac/jaoac/2013/00000096/00000002/art00021},\n\tdoi = {10.5740/jaoacint.12-160},\n\tabstract = {Ambient ionization direct analysis in real time (DART) coupled to single-quadrupole MS (DART-MS) was evaluated for rapid detection of caffeine in commercial samples without chromatographic separation or sample preparation. Four commercial samples were examined: tea, instant coffee, green tea beverage, and soft drink. The response-related parameters were optimized for the DART temperature and MS fragmentor. Under optimal conditions, the molecular ion (M+H)+ was the major ion for identification of caffeine. The results showed that DART-MS is a promising tool for the quick analysis of important marker molecules in commercial samples. Furthermore, this system has demonstrated significant potential for high sample throughput and real-time analysis.},\n\tnumber = {2},\n\tjournal = {Journal of AOAC International},\n\tauthor = {Wang, Lei and Zhao, Pengyue and Zhang, Fengzu and Bai, Aijuan and Pan, Canping},\n\tyear = {2013},\n\tpages = {353--356},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n Ambient ionization direct analysis in real time (DART) coupled to single-quadrupole MS (DART-MS) was evaluated for rapid detection of caffeine in commercial samples without chromatographic separation or sample preparation. Four commercial samples were examined: tea, instant coffee, green tea beverage, and soft drink. The response-related parameters were optimized for the DART temperature and MS fragmentor. Under optimal conditions, the molecular ion (M+H)+ was the major ion for identification of caffeine. The results showed that DART-MS is a promising tool for the quick analysis of important marker molecules in commercial samples. Furthermore, this system has demonstrated significant potential for high sample throughput and real-time analysis.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART®) Ionization as a Tool for Rapid Screening and Characterization of Black Cohosh (Actaea racemosa) by MS Fingerprints.\n \n \n \n\n\n \n Crawford, E; Goguen, R; LaPointe, J; and Musselman, B\n\n\n \n\n\n\n Planta Med, 79(05): P117. 2013.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{crawford_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}®) {Ionization} as a {Tool} for {Rapid} {Screening} and {Characterization} of {Black} {Cohosh} ({Actaea} racemosa) by {MS} {Fingerprints}},\n\tvolume = {79},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0033-1336559},\n\tabstract = {Characterization of herbal dietary supplements has increasingly become a focus for regulatory bodies. In this study we have used a Direct Analysis in Real Time (DART) ambient ionization mass spectrometry method to characterize the major ionizable components in Black Cohosh (Actaea racemosa). Analysis of both the raw natural product and several commercial products labeled as containing Black Cohosh yielded wide variation in the mass spectral composition across the products. In order to permit more uniform sampling we choose to investigate quick extraction protocols with 0.1N acid, 0.1N base, and a published method for Black Cohosh sample prep [1]. The DART-MS experiment involves employing a thermal profile method for each extract using different gas temperatures (150 °C, 250 °C, and 350 °C) for desorption ionization and positive/negative ion mass spectrometric detection. Ferulic acid and caffeic acid desorption were optimized at 250 °C in the negative ion mode. Carbohydrates were detected at 150 °C and 250 °C in the positive ion spectra from the raw plant materials; however, they were not detected in all commercial products. The 250 °C positive and negative ion spectra proved to yield a large number of ions and these spectra were designated as the MS Fingerprint data. These MS Fingerprints were subsequently subjected to analysis using a statistical spectral matching program for automated chemometric analysis of the samples for differentiation.},\n\tlanguage = {EN},\n\tnumber = {05},\n\tjournal = {Planta Med},\n\tauthor = {Crawford, E and Goguen, R and LaPointe, J and Musselman, B},\n\tyear = {2013},\n\tpages = {P117},\n}\n\n\n\n
\n
\n\n\n
\n Characterization of herbal dietary supplements has increasingly become a focus for regulatory bodies. In this study we have used a Direct Analysis in Real Time (DART) ambient ionization mass spectrometry method to characterize the major ionizable components in Black Cohosh (Actaea racemosa). Analysis of both the raw natural product and several commercial products labeled as containing Black Cohosh yielded wide variation in the mass spectral composition across the products. In order to permit more uniform sampling we choose to investigate quick extraction protocols with 0.1N acid, 0.1N base, and a published method for Black Cohosh sample prep [1]. The DART-MS experiment involves employing a thermal profile method for each extract using different gas temperatures (150 °C, 250 °C, and 350 °C) for desorption ionization and positive/negative ion mass spectrometric detection. Ferulic acid and caffeic acid desorption were optimized at 250 °C in the negative ion mode. Carbohydrates were detected at 150 °C and 250 °C in the positive ion spectra from the raw plant materials; however, they were not detected in all commercial products. The 250 °C positive and negative ion spectra proved to yield a large number of ions and these spectra were designated as the MS Fingerprint data. These MS Fingerprints were subsequently subjected to analysis using a statistical spectral matching program for automated chemometric analysis of the samples for differentiation.\n
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\n \n\n \n \n \n \n \n \n Application of direct analysis in real time ionization–mass spectrometry (DART–MS) in chicken meat metabolomics aiming at the retrospective control of feed fraud.\n \n \n \n \n\n\n \n Cajka, T.; Danhelova, H.; Zachariasova, M.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Metabolomics,1–13. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cajka_application_2013,\n\ttitle = {Application of direct analysis in real time ionization–mass spectrometry ({DART}–{MS}) in chicken meat metabolomics aiming at the retrospective control of feed fraud},\n\tissn = {1573-3882},\n\turl = {http://dx.doi.org/10.1007/s11306-013-0495-z},\n\tdoi = {10.1007/s11306-013-0495-z},\n\tabstract = {Metabolomic fingerprinting enabled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium–high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a tool for differentiation between chickens fed by feed that contained 5–8 \\% (w/w) of chicken bone meal (a banned component) and those representing a reference group, i.e. grown otherwise under the same conditions. In the first step, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from chicken muscle and feed on which experimental animals were grown. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. In the next step, metabolomic fingerprints of a large set of chicken muscle and feed extracts were acquired. In the final phase, the experimental data were statistically evaluated using principal component analysis and orthogonal partial least squares discriminant analysis. In general, differentiation of chicken muscle according to diet (feed with and without the addition of chicken bone meal) was feasible. Additional experiments conducted after 6 months confirmed applicability of this approach. Correct classification was obtained based on the assessment of polar as well as non-polar extracts fingerprints. However, the analysis of non-polar extracts showed that the pattern of triacylglycerols is more prone to seasonal variability and/or type of raw materials used during feed preparation which obscures the bone meal impact to some extent.},\n\tlanguage = {English},\n\tjournal = {Metabolomics},\n\tauthor = {Cajka, Tomas and Danhelova, Hana and Zachariasova, Milena and Riddellova, Katerina and Hajslova, Jana},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {Authenticity, Chicken, Direct analysis in real time (DART), Feed, Metabolomic fingerprinting, mass spectrometry},\n\tpages = {1--13},\n}\n\n\n\n
\n
\n\n\n
\n Metabolomic fingerprinting enabled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium–high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a tool for differentiation between chickens fed by feed that contained 5–8 % (w/w) of chicken bone meal (a banned component) and those representing a reference group, i.e. grown otherwise under the same conditions. In the first step, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from chicken muscle and feed on which experimental animals were grown. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. In the next step, metabolomic fingerprints of a large set of chicken muscle and feed extracts were acquired. In the final phase, the experimental data were statistically evaluated using principal component analysis and orthogonal partial least squares discriminant analysis. In general, differentiation of chicken muscle according to diet (feed with and without the addition of chicken bone meal) was feasible. Additional experiments conducted after 6 months confirmed applicability of this approach. Correct classification was obtained based on the assessment of polar as well as non-polar extracts fingerprints. However, the analysis of non-polar extracts showed that the pattern of triacylglycerols is more prone to seasonal variability and/or type of raw materials used during feed preparation which obscures the bone meal impact to some extent.\n
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\n \n\n \n \n \n \n \n \n The Classification of Inkjet Inks Using AccuTOF™DART™ (Direct Analysis in Real Time) Mass Spectrometry—A Preliminary Study.\n \n \n \n \n\n\n \n Houlgrave, S.; LaPorte, G. M.; Stephens, J. C.; and Wilson, J. L.\n\n\n \n\n\n\n Journal of Forensic Sciences,n/a–n/a. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{houlgrave_classification_2013,\n\ttitle = {The {Classification} of {Inkjet} {Inks} {Using} {AccuTOF}™{DART}™ ({Direct} {Analysis} in {Real} {Time}) {Mass} {Spectrometry}—{A} {Preliminary} {Study}},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12048},\n\tdoi = {10.1111/1556-4029.12048},\n\tabstract = {A novel approach for the analysis of inkjet inks is being reported. A time-of-flight mass spectrometer, coupled with a Direct Analysis in Real Time (DART™) ion source (AccuTOF™ DART™), was used to determine if inkjet inks from various manufacturers and models of printers could be reliably differentiated, characterized, and identified. A total of 217 ink standards were analyzed. As inkjet printing often involves the use of multiple colors (e.g., cyan, magenta, yellow, and black) to form an image or text, two different approaches to creating a library of standards and sampling methods were evaluated for implementation in a standard operating procedure. This research will show that a microscopic examination of the region of interest is requisite to identify what colors were utilized during the printing process, prior to comparing with known standards. Finally, blind testing was administered with 10 unknown samples to assess the validity and accuracy of the methodology.},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Houlgrave, Stephanie and LaPorte, Gerald M. and Stephens, Joseph C. and Wilson, Justin L.},\n\tyear = {2013},\n\tkeywords = {DART™, Direct analysis in real time, forensic document examination, forensic science, ink analysis, inkjet inks, mass spectrometry, printers, questioned documents},\n\tpages = {n/a--n/a},\n}\n\n\n\n
\n
\n\n\n
\n A novel approach for the analysis of inkjet inks is being reported. A time-of-flight mass spectrometer, coupled with a Direct Analysis in Real Time (DART™) ion source (AccuTOF™ DART™), was used to determine if inkjet inks from various manufacturers and models of printers could be reliably differentiated, characterized, and identified. A total of 217 ink standards were analyzed. As inkjet printing often involves the use of multiple colors (e.g., cyan, magenta, yellow, and black) to form an image or text, two different approaches to creating a library of standards and sampling methods were evaluated for implementation in a standard operating procedure. This research will show that a microscopic examination of the region of interest is requisite to identify what colors were utilized during the printing process, prior to comparing with known standards. Finally, blind testing was administered with 10 unknown samples to assess the validity and accuracy of the methodology.\n
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\n \n\n \n \n \n \n \n \n Determination of cocaine and methadone in urine samples by thin-film solid-phase microextraction and direct analysis in real time (DART) coupled with tandem mass spectrometry.\n \n \n \n \n\n\n \n Rodriguez-Lafuente, A.; Mirnaghi, F.; and Pawliszyn, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–5. May 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rodriguez-lafuente_determination_2013,\n\ttitle = {Determination of cocaine and methadone in urine samples by thin-film solid-phase microextraction and direct analysis in real time ({DART}) coupled with tandem mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6993-z},\n\tdoi = {10.1007/s00216-013-6993-z},\n\tabstract = {The use of thin-film solid-phase microextraction (SPME) as the sampling preparation step before direct analysis in real time (DART) was evaluated for the determination of two prohibited doping substances, cocaine and methadone, in urine samples. Results showed that thin-film SPME improves the detectability of these compounds: signal-to-blank ratios of 5 (cocaine) and 13 (methadone) were obtained in the analysis of 0.5 ng/ml in human urine. Thin-film SPME also provides efficient sample cleanup, avoiding contamination of the ion source by salt residues from the urine samples. Extraction time was established in 10 min, thus providing relatively short analysis time and high throughput when combined with a 96-well shaker and coupled with DART technique.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Rodriguez-Lafuente, Angel and Mirnaghi, FatemehS. and Pawliszyn, Janusz},\n\tmonth = may,\n\tyear = {2013},\n\tkeywords = {DART, Doping, Thin-film SPME, Urine},\n\tpages = {1--5},\n}\n\n\n\n
\n
\n\n\n
\n The use of thin-film solid-phase microextraction (SPME) as the sampling preparation step before direct analysis in real time (DART) was evaluated for the determination of two prohibited doping substances, cocaine and methadone, in urine samples. Results showed that thin-film SPME improves the detectability of these compounds: signal-to-blank ratios of 5 (cocaine) and 13 (methadone) were obtained in the analysis of 0.5 ng/ml in human urine. Thin-film SPME also provides efficient sample cleanup, avoiding contamination of the ion source by salt residues from the urine samples. Extraction time was established in 10 min, thus providing relatively short analysis time and high throughput when combined with a 96-well shaker and coupled with DART technique.\n
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\n \n\n \n \n \n \n \n \n Characterization of Blood in an Encrustation on an African Mask: Spectroscopic and Direct Analysis in Real Time Mass Spectrometric Identification of Haem.\n \n \n \n \n\n\n \n Fraser, D.; Selvius DeRoo, C.; Cody, R. B; and Armitage, R. A.\n\n\n \n\n\n\n Analyst. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{fraser_characterization_2013,\n\ttitle = {Characterization of {Blood} in an {Encrustation} on an {African} {Mask}: {Spectroscopic} and {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometric} {Identification} of {Haem}},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00633F},\n\tdoi = {10.1039/C3AN00633F},\n\tabstract = {Prior to exhibiting an African Komo mask from the collections of the Detroit Institute of Arts, a multianalytical approach was undertaken to characterize the flaking encrusted coating on the surface of the mask. Preliminary XRF and FTIR examination of the coating on the Komo mask revealed the presence of significant quantities of iron and protein, possibly indicating the presence of blood. Raman spectroscopy showed evidence for the porphyrin structure of haem as well. To confirm that blood was indeed present in the coating, we developed a novel method for identifying the haem moiety from blood by use of in-situ methylation and direct analysis in real time mass spectrometry (DART-MS). Following a denaturing step with formic acid, the resulting solution was combined with an excess of phenyltrimethylammonium hydroxide to promote desorption, applied to a melting point tube, and placed into the Direct Analysis in Real Time ion source gas stream at 550 [degree]C. The permethylated haem ion (m/z 644.208) from myoglobin, haemoglobin, fresh blood, and blood aged in the laboratory for 10 years was readily observed above the background. By the described DART-TOF-MS method, permethylated haem was positively identified in the mask coating, confirming the presence of blood. This method has obvious utility in forensic science beyond that for identifying blood incorporated in cultural heritage materials.},\n\tjournal = {Analyst},\n\tauthor = {Fraser, Daniel and Selvius DeRoo, Cathy and Cody, Robert B and Armitage, Ruth Ann},\n\tyear = {2013},\n}\n\n\n\n
\n
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\n Prior to exhibiting an African Komo mask from the collections of the Detroit Institute of Arts, a multianalytical approach was undertaken to characterize the flaking encrusted coating on the surface of the mask. Preliminary XRF and FTIR examination of the coating on the Komo mask revealed the presence of significant quantities of iron and protein, possibly indicating the presence of blood. Raman spectroscopy showed evidence for the porphyrin structure of haem as well. To confirm that blood was indeed present in the coating, we developed a novel method for identifying the haem moiety from blood by use of in-situ methylation and direct analysis in real time mass spectrometry (DART-MS). Following a denaturing step with formic acid, the resulting solution was combined with an excess of phenyltrimethylammonium hydroxide to promote desorption, applied to a melting point tube, and placed into the Direct Analysis in Real Time ion source gas stream at 550 [degree]C. The permethylated haem ion (m/z 644.208) from myoglobin, haemoglobin, fresh blood, and blood aged in the laboratory for 10 years was readily observed above the background. By the described DART-TOF-MS method, permethylated haem was positively identified in the mask coating, confirming the presence of blood. This method has obvious utility in forensic science beyond that for identifying blood incorporated in cultural heritage materials.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time—a critical review on DART-MS.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–18. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{gross_direct_2013,\n\ttitle = {Direct analysis in real time—a critical review on {DART}-{MS}},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-7316-0},\n\tdoi = {10.1007/s00216-013-7316-0},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) has become an established technique for rapid mass spectral analysis of a large variety of samples. DART-MS is capable of analyzing the sample at atmospheric pressure, essentially in the open laboratory environment. DART-MS can be applied to compounds that have been deposited or adsorbed on to surfaces or that are being desorbed therefrom into the atmosphere. This makes DART-MS suitable and well-known for analysis of ingredients of plant materials, pesticide monitoring on vegetables, forensic and safety applications such as screening for traces of explosives, warfare agents, or illicit drugs on luggage, clothes, or bank notes, etc. DART can also be used for analysis of either solid or liquid bulk materials, as may be required in quality control, or to quickly investigate the identity of a compound from chemical synthesis. Even living organisms can be subjected to DART-MS. Driven by different needs in analytical practice, the combination of the DART ionization source and interface can be configured in multiple geometries and with various accessories to adapt the setup as required. Analysis by DART-MS relies on some sort of gas-phase ionization mechanism. In DART, initial generation of the ionizing species is by use of a corona discharge in a pure helium atmosphere which delivers excited helium atoms that, upon their release into the atmosphere, will initiate a cascade of gas-phase reactions. In the end, this results in reagent ions created from atmospheric water or (solvent) vapor in the vicinity of the surface subject to analysis where they effect a chemical ionization process. DART ionization processes may generate positive or negative ions, predominantly even-electron species, but odd-electron species do also occur. The prevailing process of analyte ion formation from a given sample is highly dependent on analyte properties.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Ambient mass spectrometry, DART, Direct analysis in real time, Ionization, Rapid screening},\n\tpages = {1--18},\n}\n\n\n\n
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\n Direct analysis in real time mass spectrometry (DART-MS) has become an established technique for rapid mass spectral analysis of a large variety of samples. DART-MS is capable of analyzing the sample at atmospheric pressure, essentially in the open laboratory environment. DART-MS can be applied to compounds that have been deposited or adsorbed on to surfaces or that are being desorbed therefrom into the atmosphere. This makes DART-MS suitable and well-known for analysis of ingredients of plant materials, pesticide monitoring on vegetables, forensic and safety applications such as screening for traces of explosives, warfare agents, or illicit drugs on luggage, clothes, or bank notes, etc. DART can also be used for analysis of either solid or liquid bulk materials, as may be required in quality control, or to quickly investigate the identity of a compound from chemical synthesis. Even living organisms can be subjected to DART-MS. Driven by different needs in analytical practice, the combination of the DART ionization source and interface can be configured in multiple geometries and with various accessories to adapt the setup as required. Analysis by DART-MS relies on some sort of gas-phase ionization mechanism. In DART, initial generation of the ionizing species is by use of a corona discharge in a pure helium atmosphere which delivers excited helium atoms that, upon their release into the atmosphere, will initiate a cascade of gas-phase reactions. In the end, this results in reagent ions created from atmospheric water or (solvent) vapor in the vicinity of the surface subject to analysis where they effect a chemical ionization process. DART ionization processes may generate positive or negative ions, predominantly even-electron species, but odd-electron species do also occur. The prevailing process of analyte ion formation from a given sample is highly dependent on analyte properties.\n
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\n \n\n \n \n \n \n \n \n Fragmentation Behavior Studies of Chalcones Employing Direct Analysis in Real Time (DART).\n \n \n \n \n\n\n \n Rahman, M.; Attwa, M.; Ahmad, P.; Baseeruddin, M.; and Kadi, A.\n\n\n \n\n\n\n Mass Spectrometry Letters, 4: 30–33. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"FragmentationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{rahman_fragmentation_2013,\n\ttitle = {Fragmentation {Behavior} {Studies} of {Chalcones} {Employing} {Direct} {Analysis} in {Real} {Time} ({DART})},\n\tvolume = {4},\n\turl = {http://www.msletters.org},\n\tabstract = {Chalcones are naturally occurring, biologically active molecules generating interest from a wide range of research\napplications including synthetic methodology development, biological activity investigation and studying fragmentation patterns. In\nthis article, a series of chalcones has been synthesized and their fragmentation behavior was studied using modern ambient ionization\ntechnique Direct Analysis in Real Time (DART). DART ion source connected with an ion trap mass spectrometer was\nused for the fragmentation of various substituted chalcones. The chalcones were introduced to the DART source using a glass\ncapillary without sample preparation step. All the chalcones showed prominent molecular ion peaks [M]•+ corresponding to the\nstructures. Multistage mass spectral data MSn (MS2 and MS3) were collected for all the chalcones studied. The chalcones with\nsubstitutions at 3, 4 or 5 positions gave product ion peaks with the loss of a phenyl radical (Ph•) by radical initiated α-cleavage,\nwhile substitution at 2 position of chalcone in the A-ring gave a product ion peak with the loss of substituted styryl radical\n(PhCH = CH•). In case of the chalcones with the substituent at 4 positions in A and B rings gave both types of fragmentation patterns.\nIn conclusion, chalcones can be easily characterized using modern DART interface in very short time and efficiently\nwithout any cumbersome sample pretreatment.},\n\tjournal = {Mass Spectrometry Letters},\n\tauthor = {Rahman, Motiur and Attwa, Mohamed and Ahmad, Pervez and Baseeruddin, Mohammad and Kadi, Adnan},\n\tyear = {2013},\n\tpages = {30--33},\n}\n\n\n\n
\n
\n\n\n
\n Chalcones are naturally occurring, biologically active molecules generating interest from a wide range of research applications including synthetic methodology development, biological activity investigation and studying fragmentation patterns. In this article, a series of chalcones has been synthesized and their fragmentation behavior was studied using modern ambient ionization technique Direct Analysis in Real Time (DART). DART ion source connected with an ion trap mass spectrometer was used for the fragmentation of various substituted chalcones. The chalcones were introduced to the DART source using a glass capillary without sample preparation step. All the chalcones showed prominent molecular ion peaks [M]•+ corresponding to the structures. Multistage mass spectral data MSn (MS2 and MS3) were collected for all the chalcones studied. The chalcones with substitutions at 3, 4 or 5 positions gave product ion peaks with the loss of a phenyl radical (Ph•) by radical initiated α-cleavage, while substitution at 2 position of chalcone in the A-ring gave a product ion peak with the loss of substituted styryl radical (PhCH = CH•). In case of the chalcones with the substituent at 4 positions in A and B rings gave both types of fragmentation patterns. In conclusion, chalcones can be easily characterized using modern DART interface in very short time and efficiently without any cumbersome sample pretreatment.\n
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\n \n\n \n \n \n \n \n \n Authentication of milk and milk-based foods by direct analysis in real time ionization–high resolution mass spectrometry (DART–HRMS) technique: a critical assessment.\n \n \n \n \n\n\n \n Hrbek, V.; Vaclavik, L.; Elich, O.; and Hajslova, J.\n\n\n \n\n\n\n Food Control, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AuthenticationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{hrbek_authentication_2013,\n\ttitle = {Authentication of milk and milk-based foods by direct analysis in real time ionization–high resolution mass spectrometry ({DART}–{HRMS}) technique: a critical assessment},\n\tissn = {0956-7135},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0956713513003952},\n\tdoi = {10.1016/j.foodcont.2013.08.003},\n\tabstract = {Abstract\nThe potential of direct analysis in real time (DART) ambient ionization technique coupled with high resolution mass spectrometry (HRMS) in authentication of milk and dairy products was critically assessed. In particular case, DART–HRMS was used for several scenarios: (i) discrimination among milks obtained from various farm animal species (cow, goat, and sheep), (ii) discrimination between cows´ milk produced in conventional and organic farming, and, (iii) detection of vegetable oil added to a milk-based product (soft cheese). For this purpose, a rapid profiling procedure based on examination of milk/cheese toluene extracts, was implemented. The obtained triacylglycerol (TAG) profiles (mass spectra) were processed with principal component analysis (PCA) and linear discriminant analysis (LDA). Based on LDA model, reliable differentiation of cows´ milk samples and goats’/sheep’s milk was possible. The DART–HRMS procedure also allowed distinguishing milk mixtures prepared at adulteration level of 50\\% (v/v). The capability to recognize milk from conventional and organic farming was rather low, poor classification rates of the LDA model were obtained. On the other hand, reliable detection of the presence of vegetable oils (rapeseed, sunflower, and soybean), added to soft cheese at amount as low as 1\\% (w/w), was possible. Additionally, the quality of added oil in terms of degree of its oxidation could be documented.},\n\tnumber = {0},\n\tjournal = {Food Control},\n\tauthor = {Hrbek, Vojtech and Vaclavik, Lukas and Elich, Ondrej and Hajslova, Jana},\n\tyear = {2013},\n\tkeywords = {Authenticity, Dairy products, Direct analysis in real time, Milk, mass spectrometry},\n}\n\n\n\n
\n
\n\n\n
\n Abstract The potential of direct analysis in real time (DART) ambient ionization technique coupled with high resolution mass spectrometry (HRMS) in authentication of milk and dairy products was critically assessed. In particular case, DART–HRMS was used for several scenarios: (i) discrimination among milks obtained from various farm animal species (cow, goat, and sheep), (ii) discrimination between cows´ milk produced in conventional and organic farming, and, (iii) detection of vegetable oil added to a milk-based product (soft cheese). For this purpose, a rapid profiling procedure based on examination of milk/cheese toluene extracts, was implemented. The obtained triacylglycerol (TAG) profiles (mass spectra) were processed with principal component analysis (PCA) and linear discriminant analysis (LDA). Based on LDA model, reliable differentiation of cows´ milk samples and goats’/sheep’s milk was possible. The DART–HRMS procedure also allowed distinguishing milk mixtures prepared at adulteration level of 50% (v/v). The capability to recognize milk from conventional and organic farming was rather low, poor classification rates of the LDA model were obtained. On the other hand, reliable detection of the presence of vegetable oils (rapeseed, sunflower, and soybean), added to soft cheese at amount as low as 1% (w/w), was possible. Additionally, the quality of added oil in terms of degree of its oxidation could be documented.\n
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\n \n\n \n \n \n \n \n \n Characterizations of the Extracts from Geting Bituminous Coal by Spectrometries.\n \n \n \n \n\n\n \n Shi, D.; Wei, X.; Fan, X.; Zong, Z.; Chen, B.; Zhao, Y.; Wang, Y.; and Cao, J.\n\n\n \n\n\n\n Energy & Fuels. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{shi_characterizations_2013,\n\ttitle = {Characterizations of the {Extracts} from {Geting} {Bituminous} {Coal} by {Spectrometries}},\n\tissn = {0887-0624},\n\turl = {http://dx.doi.org/10.1021/ef4004686},\n\tdoi = {10.1021/ef4004686},\n\tabstract = {Geting bituminous coal (GBC) was sequentially extracted with petroleum ether, carbon disulfide (CDS), methanol, acetone, and isometric CDS/acetone mixed solvent at room temperature to afford extracts 1-5 (E1-E5) and residue, respectively. Detailed characterizations of the extracts were performed with a gas chromatography/mass spectrometer (GC/MS), Fourier transform infrared (FTIR) spectrometer, and direct analysis in real time ionization source (DARTIS) coupled to an ion trap mass spectrometer (ITMS). GBC and its residue were also analyzed with the FTIR spectrometer. Particle sizes of the residue were significantly reduced compared with those of GBC according to the observation with scanning electron microscope. Arenes with 1-4 rings and more condensed arenes were enriched into E1 and E2, respectively, while more heteroatom-containing organic species were detected in other extracts, especially in E3 and E4 according to GC/MS analysis. The extracts, especially E1-E4, contain more aliphatic moieties and less aromatic moieties compared to GBC and its residue based on FTIR analysis. DARTIS/ITMS proved to be a powerful tool for analyzing thermally labile and/or involatile species, which are difficult to be identified with GC/MS, in the extracts. The GC-MS gave identification of relative small molecules demonstrating the enrichment of alkanes and 1-3 rings aromatics in E1, 4-6 rings aromatics in E2, organooxygen compounds in E3, phthalates and alkoxycarbonyl benzoic acids in E4. FT-IR analysis showed the functional groups in all extracts were mostly consistent with the GC-MS analysis. It supplied characterization and distribution of large molecules, which was beyond the detection range of GC-MS. DART-MS and corresponding tandem mass spectrometry program (DART-MS-MS) afforded the structural information about a wide variety of homologues (with the same core but different number of CH2) in extracts, which matched well with FT-IR result. Furthermore, the DART-MS-MS also elucidated the identification of alkoxycarbonyl benzoic acids series and et al, which was in good agreement with GC-MS result. These work confirmed that the DART-MS, as a novel and cutting-edge technology, is a desirable and reliable technology in coal chemistry. In this paper, combined with sophisticate GC-MS and FT-IR, DART-MS offered us detailed characteristics of GBC extract on molecule-level.},\n\turldate = {2013-06-25},\n\tjournal = {Energy \\& Fuels},\n\tauthor = {Shi, Da-Ling and Wei, Xian-Yong and Fan, Xing and Zong, Zhi-Min and Chen, Bo and Zhao, Yun-Peng and Wang, Yu-Gao and Cao, Jing-Pei},\n\tmonth = jun,\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Geting bituminous coal (GBC) was sequentially extracted with petroleum ether, carbon disulfide (CDS), methanol, acetone, and isometric CDS/acetone mixed solvent at room temperature to afford extracts 1-5 (E1-E5) and residue, respectively. Detailed characterizations of the extracts were performed with a gas chromatography/mass spectrometer (GC/MS), Fourier transform infrared (FTIR) spectrometer, and direct analysis in real time ionization source (DARTIS) coupled to an ion trap mass spectrometer (ITMS). GBC and its residue were also analyzed with the FTIR spectrometer. Particle sizes of the residue were significantly reduced compared with those of GBC according to the observation with scanning electron microscope. Arenes with 1-4 rings and more condensed arenes were enriched into E1 and E2, respectively, while more heteroatom-containing organic species were detected in other extracts, especially in E3 and E4 according to GC/MS analysis. The extracts, especially E1-E4, contain more aliphatic moieties and less aromatic moieties compared to GBC and its residue based on FTIR analysis. DARTIS/ITMS proved to be a powerful tool for analyzing thermally labile and/or involatile species, which are difficult to be identified with GC/MS, in the extracts. The GC-MS gave identification of relative small molecules demonstrating the enrichment of alkanes and 1-3 rings aromatics in E1, 4-6 rings aromatics in E2, organooxygen compounds in E3, phthalates and alkoxycarbonyl benzoic acids in E4. FT-IR analysis showed the functional groups in all extracts were mostly consistent with the GC-MS analysis. It supplied characterization and distribution of large molecules, which was beyond the detection range of GC-MS. DART-MS and corresponding tandem mass spectrometry program (DART-MS-MS) afforded the structural information about a wide variety of homologues (with the same core but different number of CH2) in extracts, which matched well with FT-IR result. Furthermore, the DART-MS-MS also elucidated the identification of alkoxycarbonyl benzoic acids series and et al, which was in good agreement with GC-MS result. These work confirmed that the DART-MS, as a novel and cutting-edge technology, is a desirable and reliable technology in coal chemistry. In this paper, combined with sophisticate GC-MS and FT-IR, DART-MS offered us detailed characteristics of GBC extract on molecule-level.\n
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\n \n\n \n \n \n \n \n \n A novel sampling method for identification of endogenous skin surface compounds by use of DART-MS and MALDI-MS.\n \n \n \n \n\n\n \n Mess, A.; Enthaler, B.; Fischer, M.; Rapp, C.; Pruns, J. K.; and Vietzke, J.\n\n\n \n\n\n\n Talanta, 103(0): 398–402. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{mess_novel_2013,\n\ttitle = {A novel sampling method for identification of endogenous skin surface compounds by use of {DART}-{MS} and {MALDI}-{MS}},\n\tvolume = {103},\n\tissn = {0039-9140},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0039914012009046},\n\tdoi = {10.1016/j.talanta.2012.10.073},\n\tabstract = {Identification of endogenous skin surface compounds is an intriguing challenge in comparative skin investigations. Notably, this short communication is focused on the analysis of small molecules, e.g. natural moisturizing factor (NMF) components and lipids, using a novel sampling method with DIP-it samplers for non-invasive examination of the human skin surface. As a result, extraction of analytes directly from the skin surface by use of various solvents can be replaced with the mentioned procedure. Screening of measureable compounds is achieved by direct analysis in real time mass spectrometry (DART-MS) without further sample preparation. Results are supplemented by dissolving analytes from the DIP-it samplers by use of different solvents, and subsequent matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) measurements. An interesting comparison of the mentioned MS techniques for determination of skin surface compounds in the mass range of 50–1000 Da is presented.},\n\tnumber = {0},\n\tjournal = {Talanta},\n\tauthor = {Mess, Aylin and Enthaler, Bernd and Fischer, Markus and Rapp, Claudius and Pruns, Julia K. and Vietzke, Jens-Peter},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {DART-MS, DIP-it samplers, MALDI-MS, Skin surface compounds},\n\tpages = {398--402},\n}\n\n\n\n
\n
\n\n\n
\n Identification of endogenous skin surface compounds is an intriguing challenge in comparative skin investigations. Notably, this short communication is focused on the analysis of small molecules, e.g. natural moisturizing factor (NMF) components and lipids, using a novel sampling method with DIP-it samplers for non-invasive examination of the human skin surface. As a result, extraction of analytes directly from the skin surface by use of various solvents can be replaced with the mentioned procedure. Screening of measureable compounds is achieved by direct analysis in real time mass spectrometry (DART-MS) without further sample preparation. Results are supplemented by dissolving analytes from the DIP-it samplers by use of different solvents, and subsequent matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) measurements. An interesting comparison of the mentioned MS techniques for determination of skin surface compounds in the mass range of 50–1000 Da is presented.\n
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\n \n\n \n \n \n \n \n \n Trace analysis of energetic materials via direct analyte-probed nanoextraction coupled to direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Clemons, K.; Dake, J.; Sisco, E.; and Verbeck IV, G. F.\n\n\n \n\n\n\n Forensic Science International, 231(1–3): 98–101. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"TracePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{clemons_trace_2013,\n\ttitle = {Trace analysis of energetic materials via direct analyte-probed nanoextraction coupled to direct analysis in real time mass spectrometry},\n\tvolume = {231},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813002454},\n\tdoi = {10.1016/j.forsciint.2013.04.022},\n\tabstract = {Abstract \nDirect analysis in real time mass spectrometry (DART-MS) has proven to be a useful forensic tool for the trace analysis of energetic materials. While other techniques for detecting trace amounts of explosives involve extraction, derivatization, solvent exchange, or sample clean-up, DART-MS requires none of these. Typical DART-MS analyses directly from a solid sample or from a swab have been quite successful; however, these methods may not always be an optimal sampling technique in a forensic setting. For example, if the sample were only located in an area which included a latent fingerprint of interest, direct DART-MS analysis or the use of a swab would almost certainly destroy the print. To avoid ruining such potentially invaluable evidence, another method has been developed which will leave the fingerprint virtually untouched. Direct analyte-probed nanoextraction coupled to nanospray ionization-mass spectrometry (DAPNe–NSI-MS) has demonstrated excellent sensitivity and repeatability in forensic analyses of trace amounts of illicit drugs from various types of surfaces. This technique employs a nanomanipulator in conjunction with bright-field microscopy to extract single particles from a surface of interest and has provided a limit of detection of 300 attograms for caffeine. Combining DAPNe with DART-MS provides another level of flexibility in forensic analysis, and has proven to be a sufficient detection method for trinitrotoluene (TNT), RDX, and 1-methylaminoanthraquinone (MAAQ).},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Clemons, Kristina and Dake, Jeffrey and Sisco, Edward and Verbeck IV, Guido F.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Direct analyte-probed nanoextraction, Explosives, Latent fingerprint, forensic science, mass spectrometry},\n\tpages = {98--101},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Direct analysis in real time mass spectrometry (DART-MS) has proven to be a useful forensic tool for the trace analysis of energetic materials. While other techniques for detecting trace amounts of explosives involve extraction, derivatization, solvent exchange, or sample clean-up, DART-MS requires none of these. Typical DART-MS analyses directly from a solid sample or from a swab have been quite successful; however, these methods may not always be an optimal sampling technique in a forensic setting. For example, if the sample were only located in an area which included a latent fingerprint of interest, direct DART-MS analysis or the use of a swab would almost certainly destroy the print. To avoid ruining such potentially invaluable evidence, another method has been developed which will leave the fingerprint virtually untouched. Direct analyte-probed nanoextraction coupled to nanospray ionization-mass spectrometry (DAPNe–NSI-MS) has demonstrated excellent sensitivity and repeatability in forensic analyses of trace amounts of illicit drugs from various types of surfaces. This technique employs a nanomanipulator in conjunction with bright-field microscopy to extract single particles from a surface of interest and has provided a limit of detection of 300 attograms for caffeine. Combining DAPNe with DART-MS provides another level of flexibility in forensic analysis, and has proven to be a sufficient detection method for trinitrotoluene (TNT), RDX, and 1-methylaminoanthraquinone (MAAQ).\n
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\n \n\n \n \n \n \n \n What Is the Opposite of Pandora’s Box? Direct Analysis, Ambient Ionization, and a New Generation of Atmospheric Pressure Ion Sources.\n \n \n \n\n\n \n Cody, R. B.\n\n\n \n\n\n\n Mass Spectrometry, 2(Special_Issue): S0007–S0007. 2013.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cody_what_2013,\n\ttitle = {What {Is} the {Opposite} of {Pandora}’s {Box}? {Direct} {Analysis}, {Ambient} {Ionization}, and a {New} {Generation} of {Atmospheric} {Pressure} {Ion} {Sources}},\n\tvolume = {2},\n\tabstract = {The introduction of DART and DESI sources approximately seven years ago led to the development of a new series of atmospheric pressure ion sources referred to as “ambient ionization” sources. These fall into two major categories: spray techniques like DESI or plasma techniques like DART. The selectivity of “direct ionization,” meaning analysis without chromatography and with little or no sample preparation, depends on the mass spectrometer selectivity. Although high resolution and tandem mass spectrometry are valuable tools, rapid and simple sample preparation methods can improve the utility of ambient ionization methods. The concept of ambient ionization has led to the realization that there are many more ways to form ions than might be expected. An interesting example is the use of a flint-and-steel spark source to generate ions from compounds such as phenolphthalein and Gramicidin S.},\n\tnumber = {Special\\_Issue},\n\tjournal = {Mass Spectrometry},\n\tauthor = {Cody, Robert B.},\n\tyear = {2013},\n\tpages = {S0007--S0007},\n}\n\n\n\n
\n
\n\n\n
\n The introduction of DART and DESI sources approximately seven years ago led to the development of a new series of atmospheric pressure ion sources referred to as “ambient ionization” sources. These fall into two major categories: spray techniques like DESI or plasma techniques like DART. The selectivity of “direct ionization,” meaning analysis without chromatography and with little or no sample preparation, depends on the mass spectrometer selectivity. Although high resolution and tandem mass spectrometry are valuable tools, rapid and simple sample preparation methods can improve the utility of ambient ionization methods. The concept of ambient ionization has led to the realization that there are many more ways to form ions than might be expected. An interesting example is the use of a flint-and-steel spark source to generate ions from compounds such as phenolphthalein and Gramicidin S.\n
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\n \n\n \n \n \n \n \n \n Polydimethylsiloxane-based wide-range mass calibration for direct analysis in real-time mass spectrometry.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. August 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Polydimethylsiloxane-basedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{gross_polydimethylsiloxane-based_2013,\n\ttitle = {Polydimethylsiloxane-based wide-range mass calibration for direct analysis in real-time mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-7287-1},\n\tdoi = {10.1007/s00216-013-7287-1},\n\tabstract = {Direct analysis in real-time mass spectrometry (DART-MS) is normally applied for small-molecule analysis up to about m/z 1,000. Here, for the analysis of polydimethylsiloxanes, high-mass capabilities expanding beyond m/z 3,000 are demonstrated. In addition, polydimethylsiloxanes provide an ideal mass calibration standard for positive-ion DART-MS. A mass reference list has been compiled to cover ions from m/z 200 up to m/z 2,600. Species with more than 20 silicon atoms exhibit increasingly broader isotopic patterns with decreasing abundances of the monoisotopic ions. The use of the first isotopic peaks for analyte ions above m/z 2,000 serves as a work-around and ensures easy and reproducible recognition of the reference peaks by the instrument data system. Here, the positive-ion DART mass spectra of polydimethylsiloxanes and the corresponding experimental procedures are described, and the mass reference list is provided.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = aug,\n\tyear = {2013},\n\tkeywords = {Accurate mass, Direct analysis in real time (DART), Mass calibration, Polymer analysis, Polysiloxanes, mass spectrometry},\n\tpages = {1--6},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Direct analysis in real-time mass spectrometry (DART-MS) is normally applied for small-molecule analysis up to about m/z 1,000. Here, for the analysis of polydimethylsiloxanes, high-mass capabilities expanding beyond m/z 3,000 are demonstrated. In addition, polydimethylsiloxanes provide an ideal mass calibration standard for positive-ion DART-MS. A mass reference list has been compiled to cover ions from m/z 200 up to m/z 2,600. Species with more than 20 silicon atoms exhibit increasingly broader isotopic patterns with decreasing abundances of the monoisotopic ions. The use of the first isotopic peaks for analyte ions above m/z 2,000 serves as a work-around and ensures easy and reproducible recognition of the reference peaks by the instrument data system. Here, the positive-ion DART mass spectra of polydimethylsiloxanes and the corresponding experimental procedures are described, and the mass reference list is provided.\n
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\n \n\n \n \n \n \n \n \n Evaluation of direct analysis in real time ionization–mass spectrometry (DART–MS) in fish metabolomics aimed to assess the response to dietary supplementation.\n \n \n \n \n\n\n \n Cajka, T.; Danhelova, H.; Vavrecka, A.; Riddellova, K.; Kocourek, V.; Vacha, F.; and Hajslova, J.\n\n\n \n\n\n\n Talanta, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cajka_evaluation_2013,\n\ttitle = {Evaluation of direct analysis in real time ionization–mass spectrometry ({DART}–{MS}) in fish metabolomics aimed to assess the response to dietary supplementation},\n\tissn = {0039-9140},\n\turl = {http://www.sciencedirect.com/science/article/pii/S003991401300307X},\n\tdoi = {10.1016/j.talanta.2013.04.025},\n\tabstract = {Abstract \nAmbient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium-high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a rapid tool for metabolomic fingerprinting to study the effects of supplemental feeding with cereals (triticale) on the composition of muscle metabolites of common carp (Cyprinus carpio L.). \n \nFirst, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from common carp muscle. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. Next, the metabolomic fingerprints (mass spectra) of a large set of common carp muscle extracts were acquired. Finally, the experimental data were statistically evaluated using principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). \n \nUsing this approach, differentiation of common carp muscle in response to dietary supplementation (feeding with and without cereals) was feasible. Correct classification was obtained based on the assessment of polar and as well as non-polar extracts fingerprints. The current study showed that DART–TOFMS metabolomic fingerprinting represents a rapid and powerful analytical strategy enabling differentiation of common carp muscles according to feeding history by recording metabolomic fingerprints of ionizable components under the conditions of ambient MS.},\n\tnumber = {0},\n\tjournal = {Talanta},\n\tauthor = {Cajka, Tomas and Danhelova, Hana and Vavrecka, Antonin and Riddellova, Katerina and Kocourek, Vladimir and Vacha, Frantisek and Hajslova, Jana},\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time (DART), Feeding, Fish, Metabolomic fingerprinting, mass spectrometry},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium-high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a rapid tool for metabolomic fingerprinting to study the effects of supplemental feeding with cereals (triticale) on the composition of muscle metabolites of common carp (Cyprinus carpio L.). First, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from common carp muscle. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. Next, the metabolomic fingerprints (mass spectra) of a large set of common carp muscle extracts were acquired. Finally, the experimental data were statistically evaluated using principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). Using this approach, differentiation of common carp muscle in response to dietary supplementation (feeding with and without cereals) was feasible. Correct classification was obtained based on the assessment of polar and as well as non-polar extracts fingerprints. The current study showed that DART–TOFMS metabolomic fingerprinting represents a rapid and powerful analytical strategy enabling differentiation of common carp muscles according to feeding history by recording metabolomic fingerprints of ionizable components under the conditions of ambient MS.\n
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\n \n\n \n \n \n \n \n \n Detection of drugs in latent fingermarks by two mass spectrometric methods.\n \n \n \n \n\n\n \n Lim, A. Y.; Rowell, F J; Elumbaring-Salazar, C. G.; Loke, J.; and Ma, J.\n\n\n \n\n\n\n Analytical Methods. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lim_detection_2013,\n\ttitle = {Detection of drugs in latent fingermarks by two mass spectrometric methods},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY40538A},\n\tdoi = {10.1039/C3AY40538A},\n\tabstract = {The ability of two mass spectrometric methods, surface assisted laser desorption ionization mass spectrometry (SALDI-MS) and direct analysis in real time mass spectrometry (DART-MS), to detect the presence of 5 drugs in latent fingermarks has been examined. It was found that each drug could be detected with good sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-MS. In contrast, for latent marks lifted from 3 surfaces (ceramic tile, wood laminate and backing of adhesive tape), no drug could be detected in dusted marks on the surface of a commercial lifting tape by DART-MS due to high background interference from the tape material, whereas all the drugs could be detected by SALDI-MS on equivalent marks. Also, it was demonstrated that drug-spiked latent fingermarks pre-dusted with regular fingerprint powder and lifted using conventional lifting tape could be redeveloped with carbon black doped silica particles to enable MS interrogation via SALDI-MS.},\n\tjournal = {Analytical Methods},\n\tauthor = {Lim, Angelina Yimei and Rowell, F J and Elumbaring-Salazar, Cheryl Grace and Loke, Jason and Ma, Jan},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n The ability of two mass spectrometric methods, surface assisted laser desorption ionization mass spectrometry (SALDI-MS) and direct analysis in real time mass spectrometry (DART-MS), to detect the presence of 5 drugs in latent fingermarks has been examined. It was found that each drug could be detected with good sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-MS. In contrast, for latent marks lifted from 3 surfaces (ceramic tile, wood laminate and backing of adhesive tape), no drug could be detected in dusted marks on the surface of a commercial lifting tape by DART-MS due to high background interference from the tape material, whereas all the drugs could be detected by SALDI-MS on equivalent marks. Also, it was demonstrated that drug-spiked latent fingermarks pre-dusted with regular fingerprint powder and lifted using conventional lifting tape could be redeveloped with carbon black doped silica particles to enable MS interrogation via SALDI-MS.\n
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\n \n\n \n \n \n \n \n \n Argon direct analysis in real time mass spectrometry in conjunction with makeup solvents: a method for analysis of labile compounds.\n \n \n \n \n\n\n \n Yang, H; Wan, D; Song, F; Liu, Z; and Liu, S\n\n\n \n\n\n\n Analytical chemistry, 85(3): 1305–1309. February 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ArgonPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{yang_argon_2013,\n\ttitle = {Argon direct analysis in real time mass spectrometry in conjunction with makeup solvents: a method for analysis of labile compounds.},\n\tvolume = {85},\n\turl = {http://europepmc.org/abstract/MED/23252884},\n\tabstract = {Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with makeup solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a makeup solvent (absolute ethyl alcohol, methanol, fluorobenzene, or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.},\n\tnumber = {3},\n\tjournal = {Analytical chemistry},\n\tauthor = {Yang, H and Wan, D and Song, F and Liu, Z and Liu, S},\n\tmonth = feb,\n\tyear = {2013},\n\tpages = {1305--1309},\n}\n\n\n\n
\n
\n\n\n
\n Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with makeup solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a makeup solvent (absolute ethyl alcohol, methanol, fluorobenzene, or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) of Ionic Liquids.\n \n \n \n \n\n\n \n Mazzotta, M.; Pace, R.; Wallgren, B.; Morton, S.; Miller, K.; and Smith, D.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry,1–4. August 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{mazzotta_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) of {Ionic} {Liquids}},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-013-0696-8},\n\tdoi = {10.1007/s13361-013-0696-8},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) was used to analyze ionic liquids (ILs) containing either imidazolium or phosphonium cations combined with different types of inorganic and organic anions. Ionic liquids were directly inserted into the ionization source using a glass probe without dissolution into organic solvents. Mass spectra of the ILs were collected in both positive and negative mode with a linear ion-trap instrument. The intact cation of the compound was typically the dominant peak in positive mass spectra and cluster ion formation was present. Some individual anions were not readily observed in the negative mass spectra (based on the type of anion); however, the mass difference of adjacent cluster ions equal the mass of a complete IL and the anion mass could be verified by subtracting the known cation mass. The degree and intensity of the cluster ion formations was found to be dependent on the nature of the specific ILs as well as the DART temperature gas stream.},\n\tlanguage = {English},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Mazzotta, MichaelG. and Pace, RobertB. and Wallgren, BrandyN. and Morton, SamuelA. and Miller, KevinM. and Smith, DarrinL.},\n\tmonth = aug,\n\tyear = {2013},\n\tkeywords = {Ambient MS, Direct analysis in real time (DART), Ionic liquids, Qualitative MS},\n\tpages = {1--4},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) was used to analyze ionic liquids (ILs) containing either imidazolium or phosphonium cations combined with different types of inorganic and organic anions. Ionic liquids were directly inserted into the ionization source using a glass probe without dissolution into organic solvents. Mass spectra of the ILs were collected in both positive and negative mode with a linear ion-trap instrument. The intact cation of the compound was typically the dominant peak in positive mass spectra and cluster ion formation was present. Some individual anions were not readily observed in the negative mass spectra (based on the type of anion); however, the mass difference of adjacent cluster ions equal the mass of a complete IL and the anion mass could be verified by subtracting the known cation mass. The degree and intensity of the cluster ion formations was found to be dependent on the nature of the specific ILs as well as the DART temperature gas stream.\n
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\n \n\n \n \n \n \n \n \n Non-visible print set-off of photoinitiators in food packaging: detection by ambient ionization mass spectrometry.\n \n \n \n \n\n\n \n Bentayeb, K.; Ackerman, L.; Lord, T.; and Begley, T.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A,null–null. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Non-visiblePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bentayeb_non-visible_2013,\n\ttitle = {Non-visible print set-off of photoinitiators in food packaging: detection by ambient ionization mass spectrometry},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2012.762694},\n\tdoi = {10.1080/19440049.2012.762694},\n\tabstract = {Abstract Direct Analysis in Real Time coupled to Time of Flight Mass Spectrometry (DART/TOF-MS) was used to detect the non-visible set-off of photoinitiators on the food contact surface of three different packages. The samples were intentionally under-cured to provoke set-off. Twelve commercially available photoinitiators were included in the ink formulations including α?amino-, morpholino, and α?hydroxy benzophenones, thioxanthones, aryl-phosphine oxide and three polymeric versions of these. Major colors of the packages' prints were analyzed, as well as the specific areas of the inner surface in contact with them. Larger quantities of photoinitiators were detected on the food contact areas in contact with the darker colors of the images. Speed-cure 7005 and 4-phenylbenzophenone were the compounds most susceptible to set-off in each of the samples by DART response. An identification protocol for unknown set-off compounds was tested resulting in the set-off detection of diethylene glycol ethers, erucamide and acrylates, and confirmed by solvent extraction GC-MS analysis. Finally, DART/TOF-MS was scanned across transects of the food contact side of packages to map the presence of photoinitiators. Higher photoinitiator signals were observed in patterns corresponding to the printed image, suggesting DART/TOF-MS might ?image? print set-off.},\n\turldate = {2013-01-14},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Bentayeb, K. and Ackerman, L.K. and Lord, T. and Begley, T.H.},\n\tmonth = jan,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Direct Analysis in Real Time coupled to Time of Flight Mass Spectrometry (DART/TOF-MS) was used to detect the non-visible set-off of photoinitiators on the food contact surface of three different packages. The samples were intentionally under-cured to provoke set-off. Twelve commercially available photoinitiators were included in the ink formulations including α?amino-, morpholino, and α?hydroxy benzophenones, thioxanthones, aryl-phosphine oxide and three polymeric versions of these. Major colors of the packages' prints were analyzed, as well as the specific areas of the inner surface in contact with them. Larger quantities of photoinitiators were detected on the food contact areas in contact with the darker colors of the images. Speed-cure 7005 and 4-phenylbenzophenone were the compounds most susceptible to set-off in each of the samples by DART response. An identification protocol for unknown set-off compounds was tested resulting in the set-off detection of diethylene glycol ethers, erucamide and acrylates, and confirmed by solvent extraction GC-MS analysis. Finally, DART/TOF-MS was scanned across transects of the food contact side of packages to map the presence of photoinitiators. Higher photoinitiator signals were observed in patterns corresponding to the printed image, suggesting DART/TOF-MS might ?image? print set-off.\n
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\n \n\n \n \n \n \n \n \n High-throughput differentiation of heparin from other glycosaminoglycans by pyrolysis mass spectrometry.\n \n \n \n \n\n\n \n Nemes, P.; Hoover, W. J; and Keire, D. A.\n\n\n \n\n\n\n Analytical Chemistry. July 2013.\n \n\n\n\n
\n\n\n\n \n \n \"High-throughputPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{nemes_high-throughput_2013,\n\ttitle = {High-throughput differentiation of heparin from other glycosaminoglycans by pyrolysis mass spectrometry},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac401318q},\n\tdoi = {10.1021/ac401318q},\n\tabstract = {Sensors with high chemical specificity and enhanced sample throughput are vital to screening food products and medical devices for chemical or biochemical contaminants that may pose a significant threat to public health. For example, the rapid detection of oversulfated chondroitin sulfate (OSCS) in heparin could prevent reoccurrence of this adulterant that caused hundreds of severe adverse events including deaths worldwide in 2007?2008. Here, rapid pyrolysis is integrated with direct analysis in real time (DART) mass spectrometry to rapidly screen major glycosaminoglycans, including: heparin, chondroitin sulfate A, dermatan sulfate, and OSCS. The results demonstrate that, compared to traditional liquid chromatography-based analyses, pyrolysis mass spectrometry achieved at least 250-fold higher sample throughput and was compatible with samples volume-limited to about 300 nL. Pyrolysis yielded an abundance of fragment ions (e.g., 150 different m/z species), many of which were specific to the parent compound. Using multivariate and statistical data analysis models, these data enabled facile differentiation of the glycosaminoglycans with high throughput. After method development was completed, authentically contaminated samples obtained during the heparin crisis by the FDA were analyzed in a blinded manner for OSCS contamination. The lower limit of differentiation and detection were 0.1\\% (w/w) OSCS in heparin and 100 ng/µL (20 ng) OSCS in water, respectively. For quantitative purposes the linear dynamic range spanned approximately three orders of magnitude. Moreover, this chemical readout was successfully employed to find clues in the manufacturing history of the heparin samples that can be used for surveillance purposes. The presented technology and data analysis protocols are anticipated to be readily adaptable to other chemical and biochemical agents and volume-limited samples.},\n\turldate = {2013-07-16},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nemes, Peter and Hoover, William J and Keire, David A.},\n\tmonth = jul,\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Sensors with high chemical specificity and enhanced sample throughput are vital to screening food products and medical devices for chemical or biochemical contaminants that may pose a significant threat to public health. For example, the rapid detection of oversulfated chondroitin sulfate (OSCS) in heparin could prevent reoccurrence of this adulterant that caused hundreds of severe adverse events including deaths worldwide in 2007?2008. Here, rapid pyrolysis is integrated with direct analysis in real time (DART) mass spectrometry to rapidly screen major glycosaminoglycans, including: heparin, chondroitin sulfate A, dermatan sulfate, and OSCS. The results demonstrate that, compared to traditional liquid chromatography-based analyses, pyrolysis mass spectrometry achieved at least 250-fold higher sample throughput and was compatible with samples volume-limited to about 300 nL. Pyrolysis yielded an abundance of fragment ions (e.g., 150 different m/z species), many of which were specific to the parent compound. Using multivariate and statistical data analysis models, these data enabled facile differentiation of the glycosaminoglycans with high throughput. After method development was completed, authentically contaminated samples obtained during the heparin crisis by the FDA were analyzed in a blinded manner for OSCS contamination. The lower limit of differentiation and detection were 0.1% (w/w) OSCS in heparin and 100 ng/µL (20 ng) OSCS in water, respectively. For quantitative purposes the linear dynamic range spanned approximately three orders of magnitude. Moreover, this chemical readout was successfully employed to find clues in the manufacturing history of the heparin samples that can be used for surveillance purposes. The presented technology and data analysis protocols are anticipated to be readily adaptable to other chemical and biochemical agents and volume-limited samples.\n
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\n \n\n \n \n \n \n \n \n Analysis of writing inks on paper using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Jones, R. W.; and McClelland, J. F.\n\n\n \n\n\n\n Forensic Science International, 231(1–3): 73–81. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{jones_analysis_2013,\n\ttitle = {Analysis of writing inks on paper using direct analysis in real time mass spectrometry},\n\tvolume = {231},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813002399},\n\tdoi = {10.1016/j.forsciint.2013.04.016},\n\tabstract = {Abstract \nInk analysis is central to questioned document examination. We applied direct analysis in real time mass spectrometry (DART MS) to ballpoint, gel, and fluid writing ink analysis. DART MS acquires the mass spectrum of an ink while it is still on a document without altering the appearance of the document. Spectra were acquired from ink on a variety of papers, and the spectrum of the blank paper could be subtracted out to produce a cleanly isolated ink spectrum in most cases. Only certain heavy or heavily processed papers interfered. The time since an ink is written on paper has a large effect on its spectrum. DART spectra change radically during the first few months after an ink is written as the more volatile components evaporate, but the spectra stabilize after that. A library-search study involving 166 well-aged inks assessed the ability to identify inks from their DART spectra. The aggregate success rate was 92\\%.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Jones, Roger W. and McClelland, John F.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Ink, Ink identification, forensic science, mass spectrometry, questioned documents},\n\tpages = {73--81},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Ink analysis is central to questioned document examination. We applied direct analysis in real time mass spectrometry (DART MS) to ballpoint, gel, and fluid writing ink analysis. DART MS acquires the mass spectrum of an ink while it is still on a document without altering the appearance of the document. Spectra were acquired from ink on a variety of papers, and the spectrum of the blank paper could be subtracted out to produce a cleanly isolated ink spectrum in most cases. Only certain heavy or heavily processed papers interfered. The time since an ink is written on paper has a large effect on its spectrum. DART spectra change radically during the first few months after an ink is written as the more volatile components evaporate, but the spectra stabilize after that. A library-search study involving 166 well-aged inks assessed the ability to identify inks from their DART spectra. The aggregate success rate was 92%.\n
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\n \n\n \n \n \n \n \n \n Rapid determination of 5-hydroxymethylfurfural by DART ionization with time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Rajchl, A.; Drgová, L.; Grégrová, A.; Čížková, H.; Ševčík, R.; and Voldřich, M.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–9. March 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rajchl_rapid_2013,\n\ttitle = {Rapid determination of 5-hydroxymethylfurfural by {DART} ionization with time-of-flight mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6875-4},\n\tdoi = {10.1007/s00216-013-6875-4},\n\tabstract = {DART (direct analysis in real time), a novel technique with wide potential for rapid screening analysis, coupled with high-resolution time-of-flight mass spectrometry (TOF-MS) has been used for quantitative analysis of 5-hydroxymethylfurfural (5-HMF), a typical temperature marker of food. The DART/TOF-MS method was optimised and validated. Quantification of 5-HMF was achieved by use of a stable isotope-labelled 5-HMF standard prepared from glucose. Formation of 5-HMF from saccharides, a potential source of overestimation of results, was evaluated. Forty-four real samples (honey and caramelised condensed sweetened milk) and 50 model samples of heated honey were analysed. The possibility of using DART for analysis of heated samples of honey was confirmed. HPLC and DART/TOF-MS methods for determination of 5-HMF were compared. The correlation equation between these methods was DART = 1.0287HPLC + 0.21340, R 2 = 0.9557. The DART/TOF-MS method has been proved to enable efficient and rapid determination of 5-HMF in a variety of food matrices, for example honey and caramel.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Rajchl, Aleš and Drgová, Ladislava and Grégrová, Adéla and Čížková, Helena and Ševčík, Rudolf and Voldřich, Michal},\n\tmonth = mar,\n\tyear = {2013},\n\tkeywords = {5-HMF, Caramel, DART, HPLC, Honey, TOF-MS},\n\tpages = {1--9},\n}\n\n\n\n
\n
\n\n\n
\n DART (direct analysis in real time), a novel technique with wide potential for rapid screening analysis, coupled with high-resolution time-of-flight mass spectrometry (TOF-MS) has been used for quantitative analysis of 5-hydroxymethylfurfural (5-HMF), a typical temperature marker of food. The DART/TOF-MS method was optimised and validated. Quantification of 5-HMF was achieved by use of a stable isotope-labelled 5-HMF standard prepared from glucose. Formation of 5-HMF from saccharides, a potential source of overestimation of results, was evaluated. Forty-four real samples (honey and caramelised condensed sweetened milk) and 50 model samples of heated honey were analysed. The possibility of using DART for analysis of heated samples of honey was confirmed. HPLC and DART/TOF-MS methods for determination of 5-HMF were compared. The correlation equation between these methods was DART = 1.0287HPLC + 0.21340, R 2 = 0.9557. The DART/TOF-MS method has been proved to enable efficient and rapid determination of 5-HMF in a variety of food matrices, for example honey and caramel.\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry of covalently bound organic monolayers.\n \n \n \n \n\n\n \n Manova, R. K.; Claassen, F. W.; Nielen, M. W. F.; Zuilhof, H.; and van Beek, T. A.\n\n\n \n\n\n\n Chemical Communications. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{manova_ambient_2013,\n\ttitle = {Ambient mass spectrometry of covalently bound organic monolayers},\n\tissn = {1359-7345},\n\turl = {http://dx.doi.org/10.1039/C2CC37605A},\n\tabstract = {Detailed molecular analysis by Direct Analysis in Real Time High Resolution Mass Spectrometry (DART-HRMS) of ester and amide-terminated monolayers is demonstrated. The structural information obtained allowed monitoring of the progress of a 4-step surface modification.},\n\tjournal = {Chemical Communications},\n\tauthor = {Manova, Radostina K. and Claassen, Frank W. and Nielen, Michel W. F. and Zuilhof, Han and van Beek, Teris A.},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Detailed molecular analysis by Direct Analysis in Real Time High Resolution Mass Spectrometry (DART-HRMS) of ester and amide-terminated monolayers is demonstrated. The structural information obtained allowed monitoring of the progress of a 4-step surface modification.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) of \"Bath Salt\" Cathinone Drug Mixtures.\n \n \n \n \n\n\n \n Lesiak, A.; Musah, R.; Cody, R. B; Domin, M. A.; Dane, J.; and Shepard, J. R. E.\n\n\n \n\n\n\n Analyst. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) of "{Bath} {Salt}" {Cathinone} {Drug} {Mixtures}},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00360D},\n\tdoi = {10.1039/C3AN00360D},\n\tabstract = {Rapid and versatile direct analysis in real time mass spectrometry (DART-MS) methods were developed for detection and characterization of synthetic cathinone designer drugs, also known as "bath salts". The speed and efficiency associated with DART-MS testing of such highly unpredictable samples demonstrate the technique as an attractive alternative to conventional GC-MS and LC-MS methods. A series of isobaric and closely related synthetic cathinones, alone and in mixtures, were differentiated using high mass accuracy and in-source collision induced dissociation (CID). Crime laboratories have observed a dramatic rise in the use of these substances, which has caused sample testing backlogs, particularly since the myriad of closely structurally related compounds are challenging to efficiently differentiate. This challenge is compounded by the perpetual emergence of new structural variants as soon as older generation derivatives become scheduled. Because of the numerous chemical substances that fall into these categories, along with the varying composition and complexity of mixtures of these drugs, DART-MS CID has the potential to dramatically streamline sample analysis, minimize the number of sample preparation steps, and enable rapid characterization of emerging structural analogs.},\n\tjournal = {Analyst},\n\tauthor = {Lesiak, Ashton and Musah, Rabi and Cody, Robert B and Domin, Marek Adam and Dane, John and Shepard, Jason R. E.},\n\tyear = {2013},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Rapid and versatile direct analysis in real time mass spectrometry (DART-MS) methods were developed for detection and characterization of synthetic cathinone designer drugs, also known as \"bath salts\". The speed and efficiency associated with DART-MS testing of such highly unpredictable samples demonstrate the technique as an attractive alternative to conventional GC-MS and LC-MS methods. A series of isobaric and closely related synthetic cathinones, alone and in mixtures, were differentiated using high mass accuracy and in-source collision induced dissociation (CID). Crime laboratories have observed a dramatic rise in the use of these substances, which has caused sample testing backlogs, particularly since the myriad of closely structurally related compounds are challenging to efficiently differentiate. This challenge is compounded by the perpetual emergence of new structural variants as soon as older generation derivatives become scheduled. Because of the numerous chemical substances that fall into these categories, along with the varying composition and complexity of mixtures of these drugs, DART-MS CID has the potential to dramatically streamline sample analysis, minimize the number of sample preparation steps, and enable rapid characterization of emerging structural analogs.\n
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\n \n\n \n \n \n \n \n \n Evaluation of the Oxidation of Rice Husks with Sodium Hypochlorite Using Gas Chromatography-Mass Spectrometry and Direct Analysis in Real Time-Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, S.; Fan, X.; Zheng, A.; Lu, Y.; Wei, X.; Zhao, Y.; Wang, R.; Dou, Y.; Wang, Y.; Wang, C.; Zhang, F.; Shen, Y.; Li, C.; Liu, Z.; and Liu, D.\n\n\n \n\n\n\n Analytical Letters,null–null. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_evaluation_2013,\n\ttitle = {Evaluation of the {Oxidation} of {Rice} {Husks} with {Sodium} {Hypochlorite} {Using} {Gas} {Chromatography}-{Mass} {Spectrometry} and {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry}},\n\tissn = {0003-2719},\n\turl = {http://dx.doi.org/10.1080/00032719.2013.831425},\n\tdoi = {10.1080/00032719.2013.831425},\n\tabstract = {Rice husk powder was oxidized in aqueous sodium hypochlorite solution under mild conditions with different reaction time. Fourier transform infrared spectroscopy, gas chromatography-mass spectrometry (GC-MS), and direct analysis in real time-mass spectrometry (DART-MS) were used to analyze the oxidation products. Results showed that oxidation was a feasible way to depolymerize the macromolecules in the biomass and convert hydroxyl groups to carboxyl groups. In total, 113 organic compounds in oxidation products with molecular mass less than 500 Da were identified using GC-MS. As an ambient ionization technique, DART-MS was applied to the determination of biomass derivatives and revealed mass distribution and molecular structure information for the rice husk oxidation products.},\n\turldate = {2013-09-19},\n\tjournal = {Analytical Letters},\n\tauthor = {Wang, Shou-Ze and Fan, Xing and Zheng, Ai-Li and Lu, Yao and Wei, Xian-Yong and Zhao, Yun-Peng and Wang, Rui-Yu and Dou, You-Quan and Wang, Ying-Hua and Wang, Chu-Fan and Zhang, Fan and Shen, Yong and Li, Chun-Yan and Liu, Zheng and Liu, De-Ying},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
\n
\n\n\n
\n Rice husk powder was oxidized in aqueous sodium hypochlorite solution under mild conditions with different reaction time. Fourier transform infrared spectroscopy, gas chromatography-mass spectrometry (GC-MS), and direct analysis in real time-mass spectrometry (DART-MS) were used to analyze the oxidation products. Results showed that oxidation was a feasible way to depolymerize the macromolecules in the biomass and convert hydroxyl groups to carboxyl groups. In total, 113 organic compounds in oxidation products with molecular mass less than 500 Da were identified using GC-MS. As an ambient ionization technique, DART-MS was applied to the determination of biomass derivatives and revealed mass distribution and molecular structure information for the rice husk oxidation products.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time high-resolution mass spectrometry for high-throughput analysis of antiparasitic veterinary drugs in feed and food.\n \n \n \n \n\n\n \n Martínez-Villalba, A.; Vaclavik, L.; Moyano, E.; Galceran, M. T.; and Hajslova, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(3): 467–475. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{martinez-villalba_direct_2013,\n\ttitle = {Direct analysis in real time high-resolution mass spectrometry for high-throughput analysis of antiparasitic veterinary drugs in feed and food},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6466},\n\tdoi = {10.1002/rcm.6466},\n\tabstract = {RATIONALE \n \nDirect analysis in real time (DART) is a novel ionization technique that has been demonstrated in numerous applications as a useful tool for fast and convenient mass spectrometry (MS)-based analysis of complex samples. In this study, the feasibility of DART ionization coupled to a high-resolution mass spectrometer utilizing an orbitrap mass analyzer (orbitrap MS) for high-throughput analysis of antiparasitic veterinary drugs was explored. \n \nMETHODS \n \nTo obtain the best DART-orbitrap MS performance, stepwise optimization of instrumental parameter settings, such as ionization gas temperature and mass resolving power, was performed. The optimized method was applied to feed and bovine milk samples previously extracted following a QuEChERS-like strategy. \n \nRESULTS \n \nMost antiparasitic drugs could be analyzed following the described method. Positive DART ionization provided the protonated molecules [M+H]+; in negative DART ion mode, deprotonated molecules [M–H]– were observed. As an exception, polyether ionophores could be observed as the sodiated adducts [M+Na]+. Samples of milk and feed were extracted using a modified QuEChERS method for the determination of benzimidazoles and coccidiostats respectively and quantification was carried out by matrix-matched calibration curves. \n \nCONCLUSIONS \n \nThe combination of an analysis time of less than 1 min per sample and the possibility to acquire accurate masses under high mass resolving power (HR) makes the DART-HRMS technique an effective tool for rapid qualitative screening of antiparasitic veterinary drugs. Additionally, the results obtained in this study demonstrated the feasibility of this approach to quantify target analytes at levels down to 1 µg kg–1 for benzimidazolic compounds in milk and 0.25 mg kg–1 for coccidiostats in chicken feed. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Martínez-Villalba, Anna and Vaclavik, Lukas and Moyano, Encarnación and Galceran, Maria Teresa and Hajslova, Jana},\n\tyear = {2013},\n\tpages = {467--475},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n RATIONALE Direct analysis in real time (DART) is a novel ionization technique that has been demonstrated in numerous applications as a useful tool for fast and convenient mass spectrometry (MS)-based analysis of complex samples. In this study, the feasibility of DART ionization coupled to a high-resolution mass spectrometer utilizing an orbitrap mass analyzer (orbitrap MS) for high-throughput analysis of antiparasitic veterinary drugs was explored. METHODS To obtain the best DART-orbitrap MS performance, stepwise optimization of instrumental parameter settings, such as ionization gas temperature and mass resolving power, was performed. The optimized method was applied to feed and bovine milk samples previously extracted following a QuEChERS-like strategy. RESULTS Most antiparasitic drugs could be analyzed following the described method. Positive DART ionization provided the protonated molecules [M+H]+; in negative DART ion mode, deprotonated molecules [M–H]– were observed. As an exception, polyether ionophores could be observed as the sodiated adducts [M+Na]+. Samples of milk and feed were extracted using a modified QuEChERS method for the determination of benzimidazoles and coccidiostats respectively and quantification was carried out by matrix-matched calibration curves. CONCLUSIONS The combination of an analysis time of less than 1 min per sample and the possibility to acquire accurate masses under high mass resolving power (HR) makes the DART-HRMS technique an effective tool for rapid qualitative screening of antiparasitic veterinary drugs. Additionally, the results obtained in this study demonstrated the feasibility of this approach to quantify target analytes at levels down to 1 µg kg–1 for benzimidazolic compounds in milk and 0.25 mg kg–1 for coccidiostats in chicken feed. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Electro-Thermal Vaporization Direct Analysis in Real Time-Mass Spectrometry (DART-ETV-MS) for Rapid Water Contaminant Analysis during Space Missions.\n \n \n \n \n\n\n \n Dwivedi, P.; Gazda, D. B; Keelor, J. D; Limero, T. F; Wallace, W. T; Macatangay, A. V; and Fernandez, F. M\n\n\n \n\n\n\n Analytical Chemistry. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Electro-ThermalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{dwivedi_electro-thermal_2013,\n\ttitle = {Electro-{Thermal} {Vaporization} {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry} ({DART}-{ETV}-{MS}) for {Rapid} {Water} {Contaminant} {Analysis} during {Space} {Missions}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac402365k},\n\tdoi = {10.1021/ac402365k},\n\turldate = {2013-09-24},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Dwivedi, Prabha and Gazda, Daniel B and Keelor, Joel D and Limero, Thomas F and Wallace, William T and Macatangay, Ariel V and Fernandez, Facundo M},\n\tmonth = sep,\n\tyear = {2013},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Direct Peel Monitoring of Xenobiotics in Fruit by Direct Analysis in Real-Time Coupled to a Linear Quadrupole Ion Trap-Orbitrap Mass Spectrometer.\n \n \n \n \n\n\n \n Farré, M.; Pico, Y.; and Barcelo, D.\n\n\n \n\n\n\n Analytical Chemistry. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{farre_direct_2013,\n\ttitle = {Direct {Peel} {Monitoring} of {Xenobiotics} in {Fruit} by {Direct} {Analysis} in {Real}-{Time} {Coupled} to a {Linear} {Quadrupole} {Ion} {Trap}-{Orbitrap} {Mass} {Spectrometer}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3026702},\n\tdoi = {10.1021/ac3026702},\n\tabstract = {Study of xenobiotics present in fruits peel by exposing it (without any pre-treatment) to direct analysis in real time coupled to a high resolution orbitrap mass spectrometer (DART-HRMS) is reported for the first time. Variables as DART gas heater temperature and pressure, source-to-MS distance and sample velocity are investigated. The analysis of one sample by DART-MS lasts ca. 1 min, and the benefits of both high-resolution and tandem mass spectrometry to elucidate non-target or unknown compounds are combined. Identification of post-harvest fungicides, antioxidants and sugars in fruit peel is performed in the positive ion mode. Possible elemental formula is suggested for marker components. The lowest imazalil concentration that could be detected by this system is 1 ng (equivalent to a concentration of ca. 300 µg kg-1), which is well-below the maximum residue limit. For oranges and apples, direct peel exposition demonstrated good interday precision (within 20 \\% for any concentration) and proper linearity (R2≥0.99), with a dynamic range from 1 to 2500 ng for apple. A comparison of the results obtained using the direct peel screening DART-based method is made with those obtained by DART analysis of solvent extracts, as well as those obtained analyzing these extracts by Ultra High Performance Liquid Chromatography Orbitrap Mass Spectrometry (UHPLC-Orbitrap). The results are in good agreement. Thus, the proposed method proves to be quantitatively accurate with indisputable identification specificity. As an independent method, the approach of direct scanning of peel is of high interest and of potential future within food analysis to guarantee safety, quality and authenticity. ?},\n\turldate = {2013-02-05},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Farré, Marinella and Pico, Yolanda and Barcelo, Damia},\n\tmonth = jan,\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Study of xenobiotics present in fruits peel by exposing it (without any pre-treatment) to direct analysis in real time coupled to a high resolution orbitrap mass spectrometer (DART-HRMS) is reported for the first time. Variables as DART gas heater temperature and pressure, source-to-MS distance and sample velocity are investigated. The analysis of one sample by DART-MS lasts ca. 1 min, and the benefits of both high-resolution and tandem mass spectrometry to elucidate non-target or unknown compounds are combined. Identification of post-harvest fungicides, antioxidants and sugars in fruit peel is performed in the positive ion mode. Possible elemental formula is suggested for marker components. The lowest imazalil concentration that could be detected by this system is 1 ng (equivalent to a concentration of ca. 300 µg kg-1), which is well-below the maximum residue limit. For oranges and apples, direct peel exposition demonstrated good interday precision (within 20 % for any concentration) and proper linearity (R2≥0.99), with a dynamic range from 1 to 2500 ng for apple. A comparison of the results obtained using the direct peel screening DART-based method is made with those obtained by DART analysis of solvent extracts, as well as those obtained analyzing these extracts by Ultra High Performance Liquid Chromatography Orbitrap Mass Spectrometry (UHPLC-Orbitrap). The results are in good agreement. Thus, the proposed method proves to be quantitatively accurate with indisputable identification specificity. As an independent method, the approach of direct scanning of peel is of high interest and of potential future within food analysis to guarantee safety, quality and authenticity. ?\n
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\n \n\n \n \n \n \n \n \n Soft Ionization of Saturated Hydrocarbons, Alcohols and Nonpolar Compounds by Negative-Ion Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n \n\n\n \n Cody, R.; and Dane, A.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry,1–6. February 2013.\n \n\n\n\n
\n\n\n\n \n \n \"SoftPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{cody_soft_2013,\n\ttitle = {Soft {Ionization} of {Saturated} {Hydrocarbons}, {Alcohols} and {Nonpolar} {Compounds} by {Negative}-{Ion} {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-012-0569-6},\n\tdoi = {10.1007/s13361-012-0569-6},\n\tabstract = {Large polarizable n-alkanes (approximately C18 and larger), alcohols, and other nonpolar compounds can be detected as negative ions when sample solutions are injected directly into the sampling orifice of the atmospheric pressure interface of the time-of-flight mass spectrometer with the direct analysis in real time (DART) ion source operating in negative-ion mode. The mass spectra are dominated by peaks corresponding to [M + O2]‾•. No fragmentation is observed, making this a very soft ionization technique for samples that are otherwise difficult to analyze by DART. Detection limits for cholesterol were determined to be in the low nanogram range.},\n\tlanguage = {English},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Cody, RobertB. and Dane, A.John},\n\tmonth = feb,\n\tyear = {2013},\n\tkeywords = {Alcohols, Alkanes, Ambient, Cholesterol, DART, Direct analysis in real time, Hydrocarbons, Ionization, Negative ions, Triglycerides},\n\tpages = {1--6},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n Large polarizable n-alkanes (approximately C18 and larger), alcohols, and other nonpolar compounds can be detected as negative ions when sample solutions are injected directly into the sampling orifice of the atmospheric pressure interface of the time-of-flight mass spectrometer with the direct analysis in real time (DART) ion source operating in negative-ion mode. The mass spectra are dominated by peaks corresponding to [M + O2]‾•. No fragmentation is observed, making this a very soft ionization technique for samples that are otherwise difficult to analyze by DART. Detection limits for cholesterol were determined to be in the low nanogram range.\n
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\n \n\n \n \n \n \n \n \n Screening for trace explosives by AccuTOF™-DART®: An in-depth validation study.\n \n \n \n \n\n\n \n Sisco, E.; Dake, J.; and Bridge, C.\n\n\n \n\n\n\n Forensic Science International, 232(1–3): 160–168. October 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ScreeningPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
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@article{sisco_screening_2013,\n\ttitle = {Screening for trace explosives by {AccuTOF}™-{DART}®: {An} in-depth validation study},\n\tvolume = {232},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813003551},\n\tdoi = {10.1016/j.forsciint.2013.07.006},\n\tabstract = {Abstract\nAmbient ionization mass spectrometry is finding increasing utility as a rapid analysis technique in a number of fields. In forensic science specifically, analysis of many types of samples, including drugs, explosives, inks, bank dye, and lotions, has been shown to be possible using these techniques [1]. This paper focuses on one type of ambient ionization mass spectrometry, Direct Analysis in Real Time Mass Spectrometry (DART-MS or DART), and its viability as a screening tool for trace explosives analysis. In order to assess viability, a validation study was completed which focused on the analysis of trace amounts of nitro and peroxide based explosives. Topics which were studied, and are discussed, include method optimization, reproducibility, sensitivity, development of a search library, discrimination of mixtures, and blind sampling. Advantages and disadvantages of this technique over other similar screening techniques are also discussed.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Sisco, Edward and Dake, Jeffrey and Bridge, Candice},\n\tmonth = oct,\n\tyear = {2013},\n\tkeywords = {Ambient ionization mass spectrometry, Gas chromatography mass spectrometry, Trace detection},\n\tpages = {160--168},\n}\n\n\n\n
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\n\n\n
\n Abstract Ambient ionization mass spectrometry is finding increasing utility as a rapid analysis technique in a number of fields. In forensic science specifically, analysis of many types of samples, including drugs, explosives, inks, bank dye, and lotions, has been shown to be possible using these techniques [1]. This paper focuses on one type of ambient ionization mass spectrometry, Direct Analysis in Real Time Mass Spectrometry (DART-MS or DART), and its viability as a screening tool for trace explosives analysis. In order to assess viability, a validation study was completed which focused on the analysis of trace amounts of nitro and peroxide based explosives. Topics which were studied, and are discussed, include method optimization, reproducibility, sensitivity, development of a search library, discrimination of mixtures, and blind sampling. Advantages and disadvantages of this technique over other similar screening techniques are also discussed.\n
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\n \n\n \n \n \n \n \n \n Monitoring tea fermentation/manufacturing by Direct Analysis in Real Time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Fraser, K.; Lane, G. A.; Otter, D. E.; Harrison, S. J.; Quek, S.; Hemar, Y.; and Rasmussen, S.\n\n\n \n\n\n\n Food Chemistry, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MonitoringPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{fraser_monitoring_2013,\n\ttitle = {Monitoring tea fermentation/manufacturing by {Direct} {Analysis} in {Real} {Time} ({DART}) mass spectrometry},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814613006390},\n\tdoi = {10.1016/j.foodchem.2013.05.054},\n\tabstract = {Abstract \nFactors such as fermentation methods, geographical origin and season can affect the biochemical composition of tea leaves (Camellia sinensis L.). In this study, the biochemical composition of oolong tea during the manufacturing and fermentation process was studied using a non-targeted method utilising ambient ionisation with a direct analysis in real time (DART) ion source and mass spectrometry (MS). Caffeine dominated the positive ionisation spectra throughout the manufacturing process, while the negative ion spectra collected during manufacturing were rich in ions likely to be surface lipids. Correlation analyses on the spectra revealed two volatile compounds tentatively identified as indole and geranic acid, along with ammonium and caffeine clusters/adducts with geranic acid that increased in concentration during the fermentation stages of the process. The tentative identifications were assigned using a combination of DART-ion-trap MSn and DART-accurate mass MS1 and MS2 on tea samples and standard compounds. This study highlights the potential of DART-MS to rapidly monitor the progress of complex manufacturing processes such as tea fermentation.},\n\tnumber = {0},\n\tjournal = {Food Chemistry},\n\tauthor = {Fraser, Karl and Lane, Geoff A. and Otter, Don E. and Harrison, Scott J. and Quek, Siew-Young and Hemar, Yacine and Rasmussen, Susanne},\n\tyear = {2013},\n\tkeywords = {Caffeine, DARTMass spectrometry, Direct analysis in real time, Fermentation, Geranic acid, Profiling, Tea, Tea manufacturing},\n}\n\n\n\n
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\n Abstract Factors such as fermentation methods, geographical origin and season can affect the biochemical composition of tea leaves (Camellia sinensis L.). In this study, the biochemical composition of oolong tea during the manufacturing and fermentation process was studied using a non-targeted method utilising ambient ionisation with a direct analysis in real time (DART) ion source and mass spectrometry (MS). Caffeine dominated the positive ionisation spectra throughout the manufacturing process, while the negative ion spectra collected during manufacturing were rich in ions likely to be surface lipids. Correlation analyses on the spectra revealed two volatile compounds tentatively identified as indole and geranic acid, along with ammonium and caffeine clusters/adducts with geranic acid that increased in concentration during the fermentation stages of the process. The tentative identifications were assigned using a combination of DART-ion-trap MSn and DART-accurate mass MS1 and MS2 on tea samples and standard compounds. This study highlights the potential of DART-MS to rapidly monitor the progress of complex manufacturing processes such as tea fermentation.\n
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\n \n\n \n \n \n \n \n \n Real time in situ chemical characterization of sub-micron organic aerosols using Direct Analysis in Real Time mass spectrometry (DART-MS): the effect of aerosol size and volatility.\n \n \n \n \n\n\n \n Chan, M. N.; Nah, T.; and Wilson, K. R.\n\n\n \n\n\n\n Analyst. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RealPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{chan_real_2013,\n\ttitle = {Real time in situ chemical characterization of sub-micron organic aerosols using {Direct} {Analysis} in {Real} {Time} mass spectrometry ({DART}-{MS}): the effect of aerosol size and volatility},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00168G},\n\tdoi = {10.1039/C3AN00168G},\n\tabstract = {Direct Analysis in Real Time (DART) mass spectrometry is an atmospheric pressure ionization technique suitable for in situ chemical analysis of organic aerosols. Here, mass spectra are obtained by introducing a stream of nanometer-sized aerosols into the ionization region, which is an open space between the ion source and the atmospheric inlet of mass spectrometer. Model single component aerosols are used to show how the aerosol size and volatility influence the measured ion signals at different DART gas temperatures. The results show that for equivalent aerosol mass concentrations, the ion signal scales with particle surface area, with smaller diameter oleic acid aerosols yielding higher ion signals relative to larger diameter aerosols. For the aerosols of the same size, but different vapor pressures, the ion signal is larger for more volatile succinic acid aerosols than less volatile adipic and suberic acid particles. From the measured changes in aerosol size, produced by the DART source, the radial probing depth for these model aerosols range from 1 to 10 nm, the magnitude of which depends upon the physiochemical properties of the aerosols and DART gas temperature. An aerosol evaporation model reveals that the ion signal is correlated with changes in aerosol size and depends upon the total quantity of evaporated aerosol mass, consistent with a mechanism in which gas-phase molecules are first desorbed from the aerosol surface prior to ionization. The results of this work serve as a basis for future investigations of the mass spectra, ionization pathways, and probing depth of the aerosols using DART.},\n\tjournal = {Analyst},\n\tauthor = {Chan, Man Nin and Nah, Theodora and Wilson, Kevin R.},\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART) mass spectrometry is an atmospheric pressure ionization technique suitable for in situ chemical analysis of organic aerosols. Here, mass spectra are obtained by introducing a stream of nanometer-sized aerosols into the ionization region, which is an open space between the ion source and the atmospheric inlet of mass spectrometer. Model single component aerosols are used to show how the aerosol size and volatility influence the measured ion signals at different DART gas temperatures. The results show that for equivalent aerosol mass concentrations, the ion signal scales with particle surface area, with smaller diameter oleic acid aerosols yielding higher ion signals relative to larger diameter aerosols. For the aerosols of the same size, but different vapor pressures, the ion signal is larger for more volatile succinic acid aerosols than less volatile adipic and suberic acid particles. From the measured changes in aerosol size, produced by the DART source, the radial probing depth for these model aerosols range from 1 to 10 nm, the magnitude of which depends upon the physiochemical properties of the aerosols and DART gas temperature. An aerosol evaporation model reveals that the ion signal is correlated with changes in aerosol size and depends upon the total quantity of evaporated aerosol mass, consistent with a mechanism in which gas-phase molecules are first desorbed from the aerosol surface prior to ionization. The results of this work serve as a basis for future investigations of the mass spectra, ionization pathways, and probing depth of the aerosols using DART.\n
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\n \n\n \n \n \n \n \n \n The use HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS for rapid analysis of degradation by oxidation and sonication of an azo dye.\n \n \n \n \n\n\n \n Djelal, H.; Cornée, C.; Tartivel, R.; Lavastre, O.; and Amrane, A.\n\n\n \n\n\n\n Arabian Journal of Chemistry, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{djelal_use_2013,\n\ttitle = {The use {HPTLC} and {Direct} {Analysis} in {Real} {Time}-{Of}-{Flight} {Mass} {Spectrometry} {DART}-{TOF}-{MS} for rapid analysis of degradation by oxidation and sonication of an azo dye},\n\tissn = {1878-5352},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1878535213001676},\n\tdoi = {10.1016/j.arabjc.2013.06.003},\n\tabstract = {Abstract \nAdvanced oxidation processes are efficient for the removal of recalcitrant compounds, like azo-dyes. However, the intermediates produced during their degradation can be more toxic than the parent compounds. Improving the knowledge concerning the degradation pathways may be therefore helpful to optimize the process. In this aim, HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS were considered and applied to analyze the sono-oxidation of an azo dye, methyl red sodium salt (MRSS) as a model compound. Initial and final UV-Vis spectra showed a clear disappearance of the maximum absorption peak, but shows limit since it cannot allow by-products identification. MRSS degradation was confirmed by HPTLC, which also confirmed that MRSS degradation was mainly due to oxidation, while in the considered experimental conditions the sonication effect appeared negligible. Three major peaks were observed by DART-TOF-MS after MRSS oxidation, m/z=139.002, m/z=223.073 and m/z=279.137, Relative abundance of m/z=139.002, which was much higher after oxidation, tends to prove that a large proportion of initial oxydized MRSS was fragmented. The MRSS m/z = 270.078. The coupling of HPTLC and DART-TOF-MS may be subsequently considered to identify the oxidation reaction products.},\n\tnumber = {0},\n\tjournal = {Arabian Journal of Chemistry},\n\tauthor = {Djelal, Hayet and Cornée, Carole and Tartivel, Ronan and Lavastre, Olivier and Amrane, Abdeltif},\n\tyear = {2013},\n\tkeywords = {Azo dyes, DART-TOF-MS, HPTLC, MRSS, Sono-oxidation},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Advanced oxidation processes are efficient for the removal of recalcitrant compounds, like azo-dyes. However, the intermediates produced during their degradation can be more toxic than the parent compounds. Improving the knowledge concerning the degradation pathways may be therefore helpful to optimize the process. In this aim, HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS were considered and applied to analyze the sono-oxidation of an azo dye, methyl red sodium salt (MRSS) as a model compound. Initial and final UV-Vis spectra showed a clear disappearance of the maximum absorption peak, but shows limit since it cannot allow by-products identification. MRSS degradation was confirmed by HPTLC, which also confirmed that MRSS degradation was mainly due to oxidation, while in the considered experimental conditions the sonication effect appeared negligible. Three major peaks were observed by DART-TOF-MS after MRSS oxidation, m/z=139.002, m/z=223.073 and m/z=279.137, Relative abundance of m/z=139.002, which was much higher after oxidation, tends to prove that a large proportion of initial oxydized MRSS was fragmented. The MRSS m/z = 270.078. The coupling of HPTLC and DART-TOF-MS may be subsequently considered to identify the oxidation reaction products.\n
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\n \n\n \n \n \n \n \n \n Mass spectrometry-based metabolomic fingerprinting for screening cold tolerance in Arabidopsis thaliana accessions.\n \n \n \n \n\n\n \n Vaclavik, L.; Mishra, A.; Mishra, K.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–13. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MassPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{vaclavik_mass_2013,\n\ttitle = {Mass spectrometry-based metabolomic fingerprinting for screening cold tolerance in {Arabidopsis} thaliana accessions},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-6692-1},\n\tdoi = {10.1007/s00216-012-6692-1},\n\tabstract = {The availability of rapid and reliable tools for monitoring of plants’ cold tolerance is a prerequisite for research aimed at breeding of cold-tolerant crop plants. Therefore, we have tested the capacity of metabolomics-based methods employing ultra-high-performance liquid chromatography (UHPLC)–mass spectrometry and direct analysis in real time–mass spectrometry for high-throughput screening of cold tolerance in eight differentially cold-tolerant accessions of Arabidopsis thaliana. Metabolomic fingerprinting of leaf tissues was performed in methanolic extracts for (1) 6-week-old non-acclimated (NAC) plants grown at room temperature, (2) NAC plants cold-acclimated (ACC) at 4 °C for 2 weeks, and (3) cold-acclimated plants given sub-zero-temperature treatments by slow cooling at −4 °C for 8 h. The generated chromatograms and mass spectra were processed with the use of multivariate statistical analysis employing principal component analysis (PCA) and linear discriminant analysis. The PCA of metabolomic fingerprints classified the investigated A. thaliana accessions into three categories with low, intermediate, and high cold tolerance for both the cold-acclimated and the sub-zero-temperature-treated plants. This indicates the potential application of metabolomics-based fingerprinting for measuring cold tolerance in the cold-acclimated state, i.e., without treating plants at freezing temperatures that is required by currently available methods. Furthermore, we employed UHPLC coupled to the quadrupole-time-of-flight mass spectrometry to identify characteristic metabolites in ACC state and found the abundance of gluconapin and flavon-3-ol glycosides, respectively, in the cold-sensitive and the cold-tolerant accessions.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Vaclavik, Lukas and Mishra, Anamika and Mishra, KumudB. and Hajslova, Jana},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {Arabidopsis thaliana, Chemometric analysis, Cold tolerance, DART–MS, LC–MS, Metabolomic fingerprinting},\n\tpages = {1--13},\n}\n\n\n\n
\n
\n\n\n
\n The availability of rapid and reliable tools for monitoring of plants’ cold tolerance is a prerequisite for research aimed at breeding of cold-tolerant crop plants. Therefore, we have tested the capacity of metabolomics-based methods employing ultra-high-performance liquid chromatography (UHPLC)–mass spectrometry and direct analysis in real time–mass spectrometry for high-throughput screening of cold tolerance in eight differentially cold-tolerant accessions of Arabidopsis thaliana. Metabolomic fingerprinting of leaf tissues was performed in methanolic extracts for (1) 6-week-old non-acclimated (NAC) plants grown at room temperature, (2) NAC plants cold-acclimated (ACC) at 4 °C for 2 weeks, and (3) cold-acclimated plants given sub-zero-temperature treatments by slow cooling at −4 °C for 8 h. The generated chromatograms and mass spectra were processed with the use of multivariate statistical analysis employing principal component analysis (PCA) and linear discriminant analysis. The PCA of metabolomic fingerprints classified the investigated A. thaliana accessions into three categories with low, intermediate, and high cold tolerance for both the cold-acclimated and the sub-zero-temperature-treated plants. This indicates the potential application of metabolomics-based fingerprinting for measuring cold tolerance in the cold-acclimated state, i.e., without treating plants at freezing temperatures that is required by currently available methods. Furthermore, we employed UHPLC coupled to the quadrupole-time-of-flight mass spectrometry to identify characteristic metabolites in ACC state and found the abundance of gluconapin and flavon-3-ol glycosides, respectively, in the cold-sensitive and the cold-tolerant accessions.\n
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\n \n\n \n \n \n \n \n \n Newborn screening of phenylketonuria using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Wang, C.; Zhu, H.; Cai, Z.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. February 2013.\n \n\n\n\n
\n\n\n\n \n \n \"NewbornPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wang_newborn_2013,\n\ttitle = {Newborn screening of phenylketonuria using direct analysis in real time ({DART}) mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6713-8},\n\tdoi = {10.1007/s00216-013-6713-8},\n\tabstract = {Phenylketonuria (PKU) is commonly included in the newborn screening panel of most countries, with various techniques being used for quantification of l-phenylalanine (Phe). To diagnose PKU as early as possible in newborn screening, a rapid and simple method of analysis was developed. Using direct analysis in real time (DART) ionization coupled with triple-quadrupole tandem mass spectrometry (TQ-MS/MS) and with use of a 12 DIP-it tip scanner autosampler in positive ion mode, we analyzed dried blood spot (DBS) samples from PKU newborns. The concentration of Phe was determined using multiple reaction monitoring mode with the nondeuterated internal standard N,N-dimethylphenylalanine. The results of the analysis of DBS samples from newborns indicated that the DART-TQ-MS/MS method is fast, accurate, and reproducible. The results prove that this assay as a newborn screen for PKU can be performed in 18 s per sample for the quantification of Phe in DBS samples. DART-TQ-MS/MS analysis of the Phe concentration in DBS samples allowed us to screen newborns for PKU. This innovative protocol is rapid and can be effectively applied on a routine basis to analyze a large number of samples in PKU newborn screening and PKU patient monitoring.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Wang, Chunyan and Zhu, Hongbin and Cai, Zongwei and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tmonth = feb,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time (DART) triple-quadrupole tandem mass spectrometry, Dried blood spot, Phenylalanine, Phenylketonuria},\n\tpages = {1--6},\n}\n\n\n\n
\n
\n\n\n
\n Phenylketonuria (PKU) is commonly included in the newborn screening panel of most countries, with various techniques being used for quantification of l-phenylalanine (Phe). To diagnose PKU as early as possible in newborn screening, a rapid and simple method of analysis was developed. Using direct analysis in real time (DART) ionization coupled with triple-quadrupole tandem mass spectrometry (TQ-MS/MS) and with use of a 12 DIP-it tip scanner autosampler in positive ion mode, we analyzed dried blood spot (DBS) samples from PKU newborns. The concentration of Phe was determined using multiple reaction monitoring mode with the nondeuterated internal standard N,N-dimethylphenylalanine. The results of the analysis of DBS samples from newborns indicated that the DART-TQ-MS/MS method is fast, accurate, and reproducible. The results prove that this assay as a newborn screen for PKU can be performed in 18 s per sample for the quantification of Phe in DBS samples. DART-TQ-MS/MS analysis of the Phe concentration in DBS samples allowed us to screen newborns for PKU. This innovative protocol is rapid and can be effectively applied on a routine basis to analyze a large number of samples in PKU newborn screening and PKU patient monitoring.\n
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\n \n\n \n \n \n \n \n \n DIRECT ANALYSIS IN REAL TIME / TIME OF FLIGHT MASS SPECTROMETRY: INVESTIGATIONS ON PARAMETERS FOR THE COUPLING WITH LIQUID PHASE SAMPLE INTRODUCTION TECHNIQUES.\n \n \n \n \n\n\n \n Hintersteiner, I.; Hertsens, R.; and Klampfl, C. W.\n\n\n \n\n\n\n Journal of Liquid Chromatography & Related Technologies,null–null. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DIRECTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{hintersteiner_direct_2013,\n\ttitle = {{DIRECT} {ANALYSIS} {IN} {REAL} {TIME} / {TIME} {OF} {FLIGHT} {MASS} {SPECTROMETRY}: {INVESTIGATIONS} {ON} {PARAMETERS} {FOR} {THE} {COUPLING} {WITH} {LIQUID} {PHASE} {SAMPLE} {INTRODUCTION} {TECHNIQUES}},\n\tissn = {1082-6076},\n\turl = {http://dx.doi.org/10.1080/10826076.2013.825846},\n\tdoi = {10.1080/10826076.2013.825846},\n\tabstract = {Studies for the evaluation of a lab made liquid jet interface designed for the coupling of Direct Analysis in Real Time (DART) time-of-flight mass spectrometry (TOF-MS) with liquid phase sample introduction systems such as flow injection analysis (FIA) or high performance liquid chromatography (HPLC) have been performed. Thereby a substantial influence of parameters like surface/volume ratio (determined by the inner diameter of the capillary employed) of the liquid jet as well as the composition of the eluent (with respect to the concentration of electrolyte and organic solvent) on signal intensities could be detected. Comparison of the developed interface with other more common interface types (based on electrospray ionization, atmospheric pressure chemical ionization and atmospheric pressure photoionization) was carried out on the example of a test mixture containing four parabens spiked into biological fluid samples. DART ionization proved superior when employed in combination with FIA as it was less affected by matrix effects resulting in ionization suppression. On the other hand if at least partial separation of the matrix/analytes was performed by using short chromatographic columns, the other ionization techniques turned out to be the better choice primarily due to their increased sensitivity.},\n\turldate = {2013-09-19},\n\tjournal = {Journal of Liquid Chromatography \\& Related Technologies},\n\tauthor = {Hintersteiner, Ingrid and Hertsens, Robert and Klampfl, Christian W.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {null--null},\n}\n\n\n\n
\n
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\n Studies for the evaluation of a lab made liquid jet interface designed for the coupling of Direct Analysis in Real Time (DART) time-of-flight mass spectrometry (TOF-MS) with liquid phase sample introduction systems such as flow injection analysis (FIA) or high performance liquid chromatography (HPLC) have been performed. Thereby a substantial influence of parameters like surface/volume ratio (determined by the inner diameter of the capillary employed) of the liquid jet as well as the composition of the eluent (with respect to the concentration of electrolyte and organic solvent) on signal intensities could be detected. Comparison of the developed interface with other more common interface types (based on electrospray ionization, atmospheric pressure chemical ionization and atmospheric pressure photoionization) was carried out on the example of a test mixture containing four parabens spiked into biological fluid samples. DART ionization proved superior when employed in combination with FIA as it was less affected by matrix effects resulting in ionization suppression. On the other hand if at least partial separation of the matrix/analytes was performed by using short chromatographic columns, the other ionization techniques turned out to be the better choice primarily due to their increased sensitivity.\n
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\n \n\n \n \n \n \n \n \n Transmission mode direct analysis in real time mass spectrometry for fast untargeted metabolic fingerprinting.\n \n \n \n \n\n\n \n Jones, C. M.; and Fernández, F. M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(12): 1311–1318. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"TransmissionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{jones_transmission_2013,\n\ttitle = {Transmission mode direct analysis in real time mass spectrometry for fast untargeted metabolic fingerprinting},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6566},\n\tdoi = {10.1002/rcm.6566},\n\tabstract = {RATIONALE \n \nUntargeted metabolic fingerprinting is a discovery tool to better understand biochemical processes involved in detecting and characterizing disease states and responses to environmental stressors. Although current mass spectrometric (MS) methods are very powerful, there is a clear need for more rapid, high-throughput MS approaches for metabolomics studies. \n \nMETHODS \n \nA rapid metabolic fingerprinting method for human blood sera that utilizes a new transmission mode direct analysis in real time (TM-DART) sampling technique coupled with quadrupole time of flight mass spectrometry (QTOFMS) is presented. In this approach, the sample is deposited directly on a stainless steel mesh that is held in the ionization region by a custom-built module. As a result, the DART plasma gas stream interacts with the sample in a flow-through fashion, which maximizes the interaction between the sample and ionizing species and minimizes variance in sample positioning. \n \nRESULTS \n \nThe optimization of TM-DART parameters directly affecting metabolite desorption and ionization, such as sample position and ionizing gas desorption temperature, was critical in achieving high sensitivity and detecting a broad mass range of metabolites. Ramping the ionizing gas desorption temperature further enhanced analysis by adding a simple separation dimension to this ambient approach. In terms of reproducibility, TM-DART compared favorably with traditional probe mode (PM-) DART analysis, with coefficients of variation as low as 16\\%. The longer-lasting TM-DART signals enabled the acquisition of metabolite full scan and product ion accurate mass spectra in a single experiment, resulting in greater confidence in metabolite identification. \n \nCONCLUSIONS \n \nTM-DART MS proved to be a powerful analytical technique for rapid metabolome analysis of human blood sera. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {12},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Jones, Christina M. and Fernández, Facundo M.},\n\tmonth = jun,\n\tyear = {2013},\n\tpages = {1311--1318},\n}\n\n\n\n
\n
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\n RATIONALE Untargeted metabolic fingerprinting is a discovery tool to better understand biochemical processes involved in detecting and characterizing disease states and responses to environmental stressors. Although current mass spectrometric (MS) methods are very powerful, there is a clear need for more rapid, high-throughput MS approaches for metabolomics studies. METHODS A rapid metabolic fingerprinting method for human blood sera that utilizes a new transmission mode direct analysis in real time (TM-DART) sampling technique coupled with quadrupole time of flight mass spectrometry (QTOFMS) is presented. In this approach, the sample is deposited directly on a stainless steel mesh that is held in the ionization region by a custom-built module. As a result, the DART plasma gas stream interacts with the sample in a flow-through fashion, which maximizes the interaction between the sample and ionizing species and minimizes variance in sample positioning. RESULTS The optimization of TM-DART parameters directly affecting metabolite desorption and ionization, such as sample position and ionizing gas desorption temperature, was critical in achieving high sensitivity and detecting a broad mass range of metabolites. Ramping the ionizing gas desorption temperature further enhanced analysis by adding a simple separation dimension to this ambient approach. In terms of reproducibility, TM-DART compared favorably with traditional probe mode (PM-) DART analysis, with coefficients of variation as low as 16%. The longer-lasting TM-DART signals enabled the acquisition of metabolite full scan and product ion accurate mass spectra in a single experiment, resulting in greater confidence in metabolite identification. CONCLUSIONS TM-DART MS proved to be a powerful analytical technique for rapid metabolome analysis of human blood sera. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Semi-quantitative analysis of contaminants in soils by direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(2): 305–318. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Semi-quantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{grange_semi-quantitative_2013,\n\ttitle = {Semi-quantitative analysis of contaminants in soils by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6450},\n\tdoi = {10.1002/rcm.6450},\n\tabstract = {RATIONALE \n \nCleaning up contaminated sites is a goal of the U.S. Environmental Protection Agency (EPA). A simple, high-throughput, inexpensive, selective, and specific screening method for semi-volatile, polar organic contaminants would provide high spatial resolution for monitoring remediation and for documenting successful clean ups in numerous Superfund, Brownfield, and other contaminated sites. \n \nMETHODS \n \nAn autosampler/Direct Analysis in Real Time (DART)/time-of-flight (TOF) mass spectrometer, with or without a Vapur® evacuated flange, was used to analyze 0.01–33\\% levels of aspirin, diphenylamine, and pentachlorophenol mixed with soil. Triplicate water-soaked swabs were manually rotated in wet analyte:soil mixtures, air dried for 2–3 h, and analyzed directly. To minimize carryover, insensitive and sensitive instrumental conditions were used to analyze high and low analyte levels, respectively. Simulated two-dimensional (2D) mapping and remediation threshold experiments were performed to test the utility of DART-TOFMS for possible sampling strategies. \n \nRESULTS \n \nAnalyte levels differing by factors of 10 were discernible. Data were acquired for 30 swabs in 0.9 min and 3 min with helium stream temperatures of 150 °C and 250 °C and swab transport velocities of 1.45 cm/s and 0.5 cm/s, respectively. With the Vapur flange attached, the average relative standard deviations (RSDs) (n = 3) were between 16\\% and 40\\% for different analytes and analyte levels. Carryover was greatly reduced by removing the Vapur flange, but higher RSDs and occasional plugging of the cone orifice were observed. \n \nCONCLUSIONS \n \nA rapid, simple, rugged, and relatively inexpensive, but selective and sufficiently sensitive, semi-quantitative screening method for semi-volatile, polar, organic compounds in soil was demonstrated. The technique would provide the high spatial resolution necessary to find localized areas of high contamination within contaminated sites that might pose a risk to human and ecological health. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {2},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H.},\n\tmonth = jan,\n\tyear = {2013},\n\tpages = {305--318},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n RATIONALE Cleaning up contaminated sites is a goal of the U.S. Environmental Protection Agency (EPA). A simple, high-throughput, inexpensive, selective, and specific screening method for semi-volatile, polar organic contaminants would provide high spatial resolution for monitoring remediation and for documenting successful clean ups in numerous Superfund, Brownfield, and other contaminated sites. METHODS An autosampler/Direct Analysis in Real Time (DART)/time-of-flight (TOF) mass spectrometer, with or without a Vapur® evacuated flange, was used to analyze 0.01–33% levels of aspirin, diphenylamine, and pentachlorophenol mixed with soil. Triplicate water-soaked swabs were manually rotated in wet analyte:soil mixtures, air dried for 2–3 h, and analyzed directly. To minimize carryover, insensitive and sensitive instrumental conditions were used to analyze high and low analyte levels, respectively. Simulated two-dimensional (2D) mapping and remediation threshold experiments were performed to test the utility of DART-TOFMS for possible sampling strategies. RESULTS Analyte levels differing by factors of 10 were discernible. Data were acquired for 30 swabs in 0.9 min and 3 min with helium stream temperatures of 150 °C and 250 °C and swab transport velocities of 1.45 cm/s and 0.5 cm/s, respectively. With the Vapur flange attached, the average relative standard deviations (RSDs) (n = 3) were between 16% and 40% for different analytes and analyte levels. Carryover was greatly reduced by removing the Vapur flange, but higher RSDs and occasional plugging of the cone orifice were observed. CONCLUSIONS A rapid, simple, rugged, and relatively inexpensive, but selective and sufficiently sensitive, semi-quantitative screening method for semi-volatile, polar, organic compounds in soil was demonstrated. The technique would provide the high spatial resolution necessary to find localized areas of high contamination within contaminated sites that might pose a risk to human and ecological health. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Capabilities and limitations of direct analysis in real time orbitrap mass spectrometry and tandem mass spectrometry for the analysis of synthetic and natural polymers.\n \n \n \n \n\n\n \n Bridoux, M. C.; and Machuron-Mandard, X.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(18): 2057–2070. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CapabilitiesPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bridoux_capabilities_2013,\n\ttitle = {Capabilities and limitations of direct analysis in real time orbitrap mass spectrometry and tandem mass spectrometry for the analysis of synthetic and natural polymers},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6664},\n\tdoi = {10.1002/rcm.6664},\n\tabstract = {RATIONALE\n\nDespite the widespread use of direct analysis in real time mass spectrometry (DART-MS), its capabilities in terms of accessible mass range and the types of polymers that can be analysed are not well known. The goal of this work was to evaluate the capabilities and limitations of this ionization technique combined with orbitrap mass spectrometry and tandem mass spectrometry, for the characterization (structural and polydispersity metrics) of various synthetic and natural polymers.\n\nMETHODS\n\nThe capabilities and limitations of DART-MS (and -MS2), using an orbitrap mass spectrometer, for polymer analysis were evaluated using various industrial synthetic polymers and biopolymers. Stainless steel mesh screens secured on a movable rail were used as the sampling surface, onto which 5 μL of various polymers dissolved in tetrahydrofuran were added. Assignment of spectral features and calculation of molecular weight and polydispersity metrics were performed using Polymerix™ software and the results were compared with those obtained by gel-permeation chromatography (GPC).\n\nRESULTS\n\nProtonated oligomers and ammonium adducts were instantaneously detected as the major ionisation products in positive ion mode. Only perfluoropolyethers (PFPEs) were ionised in negative mode and detected as [M]–. ions. Only singly charged molecular species were observed for all oligomers under study, allowing for a rapid determination of the molecular weight and polydispersity metrics of polymers. At elevated DART gas temperatures (400–500°C) the molecular weight and polydispersity metrics compared fairly well with those obtained by GPC, with polymers whose masses ranged from 200 g.mol–1 to 4000 g.mol–1.\n\nCONCLUSIONS\n\nDART-MS allowed the direct and rapid analysis (mass spectra and tandem mass spectra of all the polymers were acquired in seconds) based on the exact masses of their [M+H]+ and [M+NH4]+ ions (in the positive mode) or [M]–. ions (for polymers having a high sensitivity toward electron-capture ionisation such as PFPEs), as well as the exact masses of their product ions, for both synthetic and natural polymers under ambient conditions without any sample pre-treatment. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {18},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Bridoux, Maxime C. and Machuron-Mandard, Xavier},\n\tyear = {2013},\n\tpages = {2057--2070},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Despite the widespread use of direct analysis in real time mass spectrometry (DART-MS), its capabilities in terms of accessible mass range and the types of polymers that can be analysed are not well known. The goal of this work was to evaluate the capabilities and limitations of this ionization technique combined with orbitrap mass spectrometry and tandem mass spectrometry, for the characterization (structural and polydispersity metrics) of various synthetic and natural polymers. METHODS The capabilities and limitations of DART-MS (and -MS2), using an orbitrap mass spectrometer, for polymer analysis were evaluated using various industrial synthetic polymers and biopolymers. Stainless steel mesh screens secured on a movable rail were used as the sampling surface, onto which 5 μL of various polymers dissolved in tetrahydrofuran were added. Assignment of spectral features and calculation of molecular weight and polydispersity metrics were performed using Polymerix™ software and the results were compared with those obtained by gel-permeation chromatography (GPC). RESULTS Protonated oligomers and ammonium adducts were instantaneously detected as the major ionisation products in positive ion mode. Only perfluoropolyethers (PFPEs) were ionised in negative mode and detected as [M]–. ions. Only singly charged molecular species were observed for all oligomers under study, allowing for a rapid determination of the molecular weight and polydispersity metrics of polymers. At elevated DART gas temperatures (400–500°C) the molecular weight and polydispersity metrics compared fairly well with those obtained by GPC, with polymers whose masses ranged from 200 g.mol–1 to 4000 g.mol–1. CONCLUSIONS DART-MS allowed the direct and rapid analysis (mass spectra and tandem mass spectra of all the polymers were acquired in seconds) based on the exact masses of their [M+H]+ and [M+NH4]+ ions (in the positive mode) or [M]–. ions (for polymers having a high sensitivity toward electron-capture ionisation such as PFPEs), as well as the exact masses of their product ions, for both synthetic and natural polymers under ambient conditions without any sample pre-treatment. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Monitoring batch-to-batch reproducibility using direct analysis in real time mass spectrometry and multivariate analysis: A case study on precipitation.\n \n \n \n \n\n\n \n Zeng, S.; Chen, T.; Wang, L.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 76(0): 87–95. March 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MonitoringPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zeng_monitoring_2013,\n\ttitle = {Monitoring batch-to-batch reproducibility using direct analysis in real time mass spectrometry and multivariate analysis: {A} case study on precipitation},\n\tvolume = {76},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708512006863},\n\tdoi = {10.1016/j.jpba.2012.12.014},\n\tabstract = {Batch-to-batch variability of traditional Chinese medicine (TCM) has already heavily limited its industrial development. By utilizing direct analysis in real time mass spectrometry (DART-MS) and multivariate statistical analysis, the present study introduced a novel and rapid methodology for TCM manufacturing process monitoring. Danshen alkaline precipitation was employed as an example operating unit to demonstrate the effectiveness of this new technique. A total of 15 batches run under normal operating conditions were used to develop a reference principal component analysis model and then enabled the establishment of multivariate control charts. Hotteling T2 and DModX charts were applied to examine batch-to-batch reproducibility of 12 test batches. Artificial variations including starting material change and process fault were identified, which was in a good agreement with conventional analysis result. Further understanding of the deviating process behavior was achieved by investigating the contribution plot of abnormal batches. The results showed that DART-MS, in conjunction with multivariate analysis, provided valuable information on model process and gave us a new perspective for TCM manufacturing process monitoring.},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Zeng, Shanshan and Chen, Teng and Wang, Lu and Qu, Haibin},\n\tmonth = mar,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Manufacturing process monitoring, Multivariate control charts, Traditional Chinese medicine, mass spectrometry},\n\tpages = {87--95},\n}\n\n\n\n
\n
\n\n\n
\n Batch-to-batch variability of traditional Chinese medicine (TCM) has already heavily limited its industrial development. By utilizing direct analysis in real time mass spectrometry (DART-MS) and multivariate statistical analysis, the present study introduced a novel and rapid methodology for TCM manufacturing process monitoring. Danshen alkaline precipitation was employed as an example operating unit to demonstrate the effectiveness of this new technique. A total of 15 batches run under normal operating conditions were used to develop a reference principal component analysis model and then enabled the establishment of multivariate control charts. Hotteling T2 and DModX charts were applied to examine batch-to-batch reproducibility of 12 test batches. Artificial variations including starting material change and process fault were identified, which was in a good agreement with conventional analysis result. Further understanding of the deviating process behavior was achieved by investigating the contribution plot of abnormal batches. The results showed that DART-MS, in conjunction with multivariate analysis, provided valuable information on model process and gave us a new perspective for TCM manufacturing process monitoring.\n
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\n \n\n \n \n \n \n \n \n Real Time In Situ Chemical Characterization of Sub-micron Organic Particles Using Direct Analysis in Real Time Mass Spectrometry (DART-MS).\n \n \n \n \n\n\n \n Nah, T.; Chan, M.; Leone, S. R; and Wilson, K. R.\n\n\n \n\n\n\n Analytical Chemistry. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RealPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{nah_real_2013,\n\ttitle = {Real {Time} {In} {Situ} {Chemical} {Characterization} of {Sub}-micron {Organic} {Particles} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS})},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac302560c},\n\tdoi = {10.1021/ac302560c},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) is used to analyze the chemical composition of nanometer-sized organic aerosol particles in real time at atmospheric pressure. By introducing a stream of particles in between the DART ionization source and the atmospheric pressure inlet of the mass spectrometer, the aerosol is exposed to a thermal flow of helium gas containing some fraction of metastable helium atoms. In this configuration, the molecular constituents of organic particles are desorbed, ionized and detected with reduced molecular ion fragmentation, allowing for compositional identification. Aerosol components that are detected include alkanes, alkenes, acids, esters, alcohols, aldehydes and amino acids. The ion signal produced by DART-MS scales with the aerosol surface area rather than particle volume, suggesting that DART-MS is a viable technique to measure the chemical composition of the particle interface. For oleic acid, particle size measurements of the aerosol stream exiting the ionization region suggest that the probing depth depends upon the desorption temperature. The probing depth is observed to depend upon desorption temperature and is estimated to be on the order of 5 nm for a 185 nm diameter particle at a DART heater temperature of 500 °C. The reaction of ozone with sub-micron oleic acid particles is measured to demonstrate the ability of this technique to identify products and quantify reaction rates in a heterogeneous reaction.},\n\turldate = {2013-01-22},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nah, Theodora and Chan, ManNin and Leone, Stephen R and Wilson, Kevin R.},\n\tmonth = jan,\n\tyear = {2013},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) is used to analyze the chemical composition of nanometer-sized organic aerosol particles in real time at atmospheric pressure. By introducing a stream of particles in between the DART ionization source and the atmospheric pressure inlet of the mass spectrometer, the aerosol is exposed to a thermal flow of helium gas containing some fraction of metastable helium atoms. In this configuration, the molecular constituents of organic particles are desorbed, ionized and detected with reduced molecular ion fragmentation, allowing for compositional identification. Aerosol components that are detected include alkanes, alkenes, acids, esters, alcohols, aldehydes and amino acids. The ion signal produced by DART-MS scales with the aerosol surface area rather than particle volume, suggesting that DART-MS is a viable technique to measure the chemical composition of the particle interface. For oleic acid, particle size measurements of the aerosol stream exiting the ionization region suggest that the probing depth depends upon the desorption temperature. The probing depth is observed to depend upon desorption temperature and is estimated to be on the order of 5 nm for a 185 nm diameter particle at a DART heater temperature of 500 °C. The reaction of ozone with sub-micron oleic acid particles is measured to demonstrate the ability of this technique to identify products and quantify reaction rates in a heterogeneous reaction.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time-mass spectrometry (DART-MS) for rapid qualitative screening of toxic glycols in glycerin-containing products.\n \n \n \n \n\n\n \n Self, R. L.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, (0). 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{self_direct_2013,\n\ttitle = {Direct analysis in real time-mass spectrometry ({DART}-{MS}) for rapid qualitative screening of toxic glycols in glycerin-containing products},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708513001052},\n\tdoi = {10.1016/j.jpba.2013.02.037},\n\tabstract = {In 2007, the United States Food and Drug Administration released guidance recommending testing of glycerin used in regulated consumer products, such as cough syrup preparations, toothpaste, and other pharmaceutical and food products, for the toxic compounds ethylene glycol and diethylene glycol. Regulatory laboratories routinely test glycerin, and products containing glycerin or related compounds for these toxic glycols, using an official gas chromatographic method, to ensure the safety of these products. The current work describes a companion technique to compliment this GC-FID method utilizing Orbitrap mass spectrometry with direct analysis in real time ionization to rapidly screen these samples qualitatively, with results in as little as five seconds, with no sample preparation required. This allows the more time and resource intensive method to be reserved for those rare cases when these compounds are detected, potentially greatly improving laboratory efficiency. The technique was evaluated for qualitative sensitivity and repeatability, and compared against the GC-FID method. The method appears to perform well against these metrics.},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Self, Randy L.},\n\tyear = {2013},\n\tkeywords = {Diethylene glycol, Direct analysis in real time, Ethylene glycol, Glycerin, Orbitrap},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n\n\n
\n In 2007, the United States Food and Drug Administration released guidance recommending testing of glycerin used in regulated consumer products, such as cough syrup preparations, toothpaste, and other pharmaceutical and food products, for the toxic compounds ethylene glycol and diethylene glycol. Regulatory laboratories routinely test glycerin, and products containing glycerin or related compounds for these toxic glycols, using an official gas chromatographic method, to ensure the safety of these products. The current work describes a companion technique to compliment this GC-FID method utilizing Orbitrap mass spectrometry with direct analysis in real time ionization to rapidly screen these samples qualitatively, with results in as little as five seconds, with no sample preparation required. This allows the more time and resource intensive method to be reserved for those rare cases when these compounds are detected, potentially greatly improving laboratory efficiency. The technique was evaluated for qualitative sensitivity and repeatability, and compared against the GC-FID method. The method appears to perform well against these metrics.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART®) Ionization as a Tool for Rapid Screening and Characterization of Black Cohosh (Actaea racemosa) by MS Fingerprints.\n \n \n \n\n\n \n Crawford, E; Goguen, R; LaPointe, J; and Musselman, B\n\n\n \n\n\n\n Planta Med, 79(05): P117. 2013.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{crawford_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}®) {Ionization} as a {Tool} for {Rapid} {Screening} and {Characterization} of {Black} {Cohosh} ({Actaea} racemosa) by {MS} {Fingerprints}},\n\tvolume = {79},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0033-1336559},\n\tabstract = {Characterization of herbal dietary supplements has increasingly become a focus for regulatory bodies. In this study we have used a Direct Analysis in Real Time (DART) ambient ionization mass spectrometry method to characterize the major ionizable components in Black Cohosh (Actaea racemosa). Analysis of both the raw natural product and several commercial products labeled as containing Black Cohosh yielded wide variation in the mass spectral composition across the products. In order to permit more uniform sampling we choose to investigate quick extraction protocols with 0.1N acid, 0.1N base, and a published method for Black Cohosh sample prep [1]. The DART-MS experiment involves employing a thermal profile method for each extract using different gas temperatures (150 °C, 250 °C, and 350 °C) for desorption ionization and positive/negative ion mass spectrometric detection. Ferulic acid and caffeic acid desorption were optimized at 250 °C in the negative ion mode. Carbohydrates were detected at 150 °C and 250 °C in the positive ion spectra from the raw plant materials; however, they were not detected in all commercial products. The 250 °C positive and negative ion spectra proved to yield a large number of ions and these spectra were designated as the MS Fingerprint data. These MS Fingerprints were subsequently subjected to analysis using a statistical spectral matching program for automated chemometric analysis of the samples for differentiation.},\n\tlanguage = {EN},\n\tnumber = {05},\n\tjournal = {Planta Med},\n\tauthor = {Crawford, E and Goguen, R and LaPointe, J and Musselman, B},\n\tyear = {2013},\n\tpages = {P117},\n}\n\n\n\n
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\n\n\n
\n Characterization of herbal dietary supplements has increasingly become a focus for regulatory bodies. In this study we have used a Direct Analysis in Real Time (DART) ambient ionization mass spectrometry method to characterize the major ionizable components in Black Cohosh (Actaea racemosa). Analysis of both the raw natural product and several commercial products labeled as containing Black Cohosh yielded wide variation in the mass spectral composition across the products. In order to permit more uniform sampling we choose to investigate quick extraction protocols with 0.1N acid, 0.1N base, and a published method for Black Cohosh sample prep [1]. The DART-MS experiment involves employing a thermal profile method for each extract using different gas temperatures (150 °C, 250 °C, and 350 °C) for desorption ionization and positive/negative ion mass spectrometric detection. Ferulic acid and caffeic acid desorption were optimized at 250 °C in the negative ion mode. Carbohydrates were detected at 150 °C and 250 °C in the positive ion spectra from the raw plant materials; however, they were not detected in all commercial products. The 250 °C positive and negative ion spectra proved to yield a large number of ions and these spectra were designated as the MS Fingerprint data. These MS Fingerprints were subsequently subjected to analysis using a statistical spectral matching program for automated chemometric analysis of the samples for differentiation.\n
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\n \n\n \n \n \n \n \n \n Polydimethylsiloxane-based wide-range mass calibration for direct analysis in real-time mass spectrometry.\n \n \n \n \n\n\n \n Gross, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 405(26): 8663–8668. August 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Polydimethylsiloxane-basedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{gross_polydimethylsiloxane-based_2013,\n\ttitle = {Polydimethylsiloxane-based wide-range mass calibration for direct analysis in real-time mass spectrometry},\n\tvolume = {405},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-7287-1},\n\tdoi = {10.1007/s00216-013-7287-1},\n\tabstract = {Direct analysis in real-time mass spectrometry (DART-MS) is normally applied for small-molecule analysis up to about m/z 1,000. Here, for the analysis of polydimethylsiloxanes, high-mass capabilities expanding beyond m/z 3,000 are demonstrated. In addition, polydimethylsiloxanes provide an ideal mass calibration standard for positive-ion DART-MS. A mass reference list has been compiled to cover ions from m/z 200 up to m/z 2,600. Species with more than 20 silicon atoms exhibit increasingly broader isotopic patterns with decreasing abundances of the monoisotopic ions. The use of the first isotopic peaks for analyte ions above m/z 2,000 serves as a work-around and ensures easy and reproducible recognition of the reference peaks by the instrument data system. Here, the positive-ion DART mass spectra of polydimethylsiloxanes and the corresponding experimental procedures are described, and the mass reference list is provided.},\n\tlanguage = {English},\n\tnumber = {26},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Gross, JürgenH.},\n\tmonth = aug,\n\tyear = {2013},\n\tkeywords = {Accurate mass, Direct analysis in real time (DART), Mass calibration, Polymer analysis, Polysiloxanes, mass spectrometry},\n\tpages = {8663--8668},\n}\n\n\n\n
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\n\n\n
\n Direct analysis in real-time mass spectrometry (DART-MS) is normally applied for small-molecule analysis up to about m/z 1,000. Here, for the analysis of polydimethylsiloxanes, high-mass capabilities expanding beyond m/z 3,000 are demonstrated. In addition, polydimethylsiloxanes provide an ideal mass calibration standard for positive-ion DART-MS. A mass reference list has been compiled to cover ions from m/z 200 up to m/z 2,600. Species with more than 20 silicon atoms exhibit increasingly broader isotopic patterns with decreasing abundances of the monoisotopic ions. The use of the first isotopic peaks for analyte ions above m/z 2,000 serves as a work-around and ensures easy and reproducible recognition of the reference peaks by the instrument data system. Here, the positive-ion DART mass spectra of polydimethylsiloxanes and the corresponding experimental procedures are described, and the mass reference list is provided.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) of Ionic Liquids.\n \n \n \n \n\n\n \n Mazzotta, M.; Pace, R.; Wallgren, B.; Morton, S.; Miller, K.; and Smith, D.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 24(10): 1616–1619. August 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{mazzotta_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) of {Ionic} {Liquids}},\n\tvolume = {24},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-013-0696-8},\n\tdoi = {10.1007/s13361-013-0696-8},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) was used to analyze ionic liquids (ILs) containing either imidazolium or phosphonium cations combined with different types of inorganic and organic anions. Ionic liquids were directly inserted into the ionization source using a glass probe without dissolution into organic solvents. Mass spectra of the ILs were collected in both positive and negative mode with a linear ion-trap instrument. The intact cation of the compound was typically the dominant peak in positive mass spectra and cluster ion formation was present. Some individual anions were not readily observed in the negative mass spectra (based on the type of anion); however, the mass difference of adjacent cluster ions equal the mass of a complete IL and the anion mass could be verified by subtracting the known cation mass. The degree and intensity of the cluster ion formations was found to be dependent on the nature of the specific ILs as well as the DART temperature gas stream.},\n\tlanguage = {English},\n\tnumber = {10},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Mazzotta, MichaelG. and Pace, RobertB. and Wallgren, BrandyN. and Morton, SamuelA. and Miller, KevinM. and Smith, DarrinL.},\n\tmonth = aug,\n\tyear = {2013},\n\tkeywords = {Ambient MS, Direct analysis in real time (DART), Ionic liquids, Qualitative MS},\n\tpages = {1616--1619},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) was used to analyze ionic liquids (ILs) containing either imidazolium or phosphonium cations combined with different types of inorganic and organic anions. Ionic liquids were directly inserted into the ionization source using a glass probe without dissolution into organic solvents. Mass spectra of the ILs were collected in both positive and negative mode with a linear ion-trap instrument. The intact cation of the compound was typically the dominant peak in positive mass spectra and cluster ion formation was present. Some individual anions were not readily observed in the negative mass spectra (based on the type of anion); however, the mass difference of adjacent cluster ions equal the mass of a complete IL and the anion mass could be verified by subtracting the known cation mass. The degree and intensity of the cluster ion formations was found to be dependent on the nature of the specific ILs as well as the DART temperature gas stream.\n
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\n \n\n \n \n \n \n \n \n Online Coupling of Capillary Electrophoresis with Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Chang, C.; Xu, G.; Bai, Y.; Zhang, C.; Li, X.; Li, M.; Liu, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical Chemistry, 85(1): 170–176. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"OnlinePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{chang_online_2013,\n\ttitle = {Online {Coupling} of {Capillary} {Electrophoresis} with {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {85},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac303450v},\n\tdoi = {10.1021/ac303450v},\n\tabstract = {The online coupling of capillary electrophoresis with ambient direct analysis in real time mass spectrometry (DART-MS) was realized by a coaxial tip interface. The analytes eluted from CE were directly ionized by the metastable helium flux produced by DART and transferred into MS for the detection, with which the online separation and simultaneous detection were achieved. The CE-DART-MS can tolerate higher concentrations of detergents and salts than traditional CE-ESI-MS and avoided the difficulties of collecting CE effluent and cleaning the interface, which simplified the experimental procedures and shortened the analysis time. The performance of the technique was successfully verified by capillary zone electrophoresis (CZE) and micellar electrokinetic chromatography (MEKC) using a mixture of 4-aminoantipyrine, zolmitriptan and quinine. This online technique showed good repeatability with the RSDs (n=5) of 0.56{\\textasciitilde}1.23\\% for the retention times and 2.01{\\textasciitilde}7.41\\% for the peak areas. The quantitative analysis of 4-aminoantipyrine was accomplished in the range of 0.01{\\textasciitilde}0.50 mg/mL with the linear correlation coefficient of 0.9995 and limit of detection of 14.7 fmol. Compared with CE-ESI-MS, the ion suppression effects of non-volatile salts and detergents were efficiently minimized. The signal intensity remained constant when the concentrations reached 100 mM for sodium borate and 30 mM for SDS (in 30 mM sodium borate buffer). In addition, the proposed method was successfully applied to the detection of the endogenous caffeine in the Chinese white tea.},\n\tnumber = {1},\n\turldate = {2012-12-04},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Chang, Cuilan and Xu, Gege and Bai, Yu and Zhang, Chengsen and Li, Xianjiang and Li, Min and Liu, Yi and Liu, Huwei},\n\tyear = {2013},\n\tpages = {170--176},\n}\n\n\n\n
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\n The online coupling of capillary electrophoresis with ambient direct analysis in real time mass spectrometry (DART-MS) was realized by a coaxial tip interface. The analytes eluted from CE were directly ionized by the metastable helium flux produced by DART and transferred into MS for the detection, with which the online separation and simultaneous detection were achieved. The CE-DART-MS can tolerate higher concentrations of detergents and salts than traditional CE-ESI-MS and avoided the difficulties of collecting CE effluent and cleaning the interface, which simplified the experimental procedures and shortened the analysis time. The performance of the technique was successfully verified by capillary zone electrophoresis (CZE) and micellar electrokinetic chromatography (MEKC) using a mixture of 4-aminoantipyrine, zolmitriptan and quinine. This online technique showed good repeatability with the RSDs (n=5) of 0.56~1.23% for the retention times and 2.01~7.41% for the peak areas. The quantitative analysis of 4-aminoantipyrine was accomplished in the range of 0.01~0.50 mg/mL with the linear correlation coefficient of 0.9995 and limit of detection of 14.7 fmol. Compared with CE-ESI-MS, the ion suppression effects of non-volatile salts and detergents were efficiently minimized. The signal intensity remained constant when the concentrations reached 100 mM for sodium borate and 30 mM for SDS (in 30 mM sodium borate buffer). In addition, the proposed method was successfully applied to the detection of the endogenous caffeine in the Chinese white tea.\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry of covalently bound organic monolayers.\n \n \n \n \n\n\n \n Manova, R. K.; Claassen, F. W.; Nielen, M. W. F.; Zuilhof, H.; and van Beek, T. A.\n\n\n \n\n\n\n Chemical Communications, 49: 922–924. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{manova_ambient_2013,\n\ttitle = {Ambient mass spectrometry of covalently bound organic monolayers},\n\tvolume = {49},\n\tissn = {1359-7345},\n\turl = {http://dx.doi.org/10.1039/C2CC37605A},\n\tabstract = {Detailed molecular analysis by Direct Analysis in Real Time High Resolution Mass Spectrometry (DART-HRMS) of ester and amide-terminated monolayers is demonstrated. The structural information obtained allowed monitoring of the progress of a 4-step surface modification.},\n\tjournal = {Chemical Communications},\n\tauthor = {Manova, Radostina K. and Claassen, Frank W. and Nielen, Michel W. F. and Zuilhof, Han and van Beek, Teris A.},\n\tyear = {2013},\n\tpages = {922--924},\n}\n\n\n\n
\n
\n\n\n
\n Detailed molecular analysis by Direct Analysis in Real Time High Resolution Mass Spectrometry (DART-HRMS) of ester and amide-terminated monolayers is demonstrated. The structural information obtained allowed monitoring of the progress of a 4-step surface modification.\n
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\n \n\n \n \n \n \n \n \n Non-visible print set-off of photoinitiators in food packaging: detection by ambient ionization mass spectrometry.\n \n \n \n \n\n\n \n Bentayeb, K.; Ackerman, L.; Lord, T.; and Begley, T.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 30(4): 750–759. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Non-visiblePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bentayeb_non-visible_2013,\n\ttitle = {Non-visible print set-off of photoinitiators in food packaging: detection by ambient ionization mass spectrometry},\n\tvolume = {30},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2012.762694},\n\tdoi = {10.1080/19440049.2012.762694},\n\tabstract = {Abstract Direct Analysis in Real Time coupled to Time of Flight Mass Spectrometry (DART/TOF-MS) was used to detect the non-visible set-off of photoinitiators on the food contact surface of three different packages. The samples were intentionally under-cured to provoke set-off. Twelve commercially available photoinitiators were included in the ink formulations including α?amino-, morpholino, and α?hydroxy benzophenones, thioxanthones, aryl-phosphine oxide and three polymeric versions of these. Major colors of the packages' prints were analyzed, as well as the specific areas of the inner surface in contact with them. Larger quantities of photoinitiators were detected on the food contact areas in contact with the darker colors of the images. Speed-cure 7005 and 4-phenylbenzophenone were the compounds most susceptible to set-off in each of the samples by DART response. An identification protocol for unknown set-off compounds was tested resulting in the set-off detection of diethylene glycol ethers, erucamide and acrylates, and confirmed by solvent extraction GC-MS analysis. Finally, DART/TOF-MS was scanned across transects of the food contact side of packages to map the presence of photoinitiators. Higher photoinitiator signals were observed in patterns corresponding to the printed image, suggesting DART/TOF-MS might ?image? print set-off.},\n\tnumber = {4},\n\turldate = {2013-01-14},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Bentayeb, K. and Ackerman, L.K. and Lord, T. and Begley, T.H.},\n\tmonth = jan,\n\tyear = {2013},\n\tpages = {750--759},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Direct Analysis in Real Time coupled to Time of Flight Mass Spectrometry (DART/TOF-MS) was used to detect the non-visible set-off of photoinitiators on the food contact surface of three different packages. The samples were intentionally under-cured to provoke set-off. Twelve commercially available photoinitiators were included in the ink formulations including α?amino-, morpholino, and α?hydroxy benzophenones, thioxanthones, aryl-phosphine oxide and three polymeric versions of these. Major colors of the packages' prints were analyzed, as well as the specific areas of the inner surface in contact with them. Larger quantities of photoinitiators were detected on the food contact areas in contact with the darker colors of the images. Speed-cure 7005 and 4-phenylbenzophenone were the compounds most susceptible to set-off in each of the samples by DART response. An identification protocol for unknown set-off compounds was tested resulting in the set-off detection of diethylene glycol ethers, erucamide and acrylates, and confirmed by solvent extraction GC-MS analysis. Finally, DART/TOF-MS was scanned across transects of the food contact side of packages to map the presence of photoinitiators. Higher photoinitiator signals were observed in patterns corresponding to the printed image, suggesting DART/TOF-MS might ?image? print set-off.\n
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\n \n\n \n \n \n \n \n \n Mass spectrometry-based metabolomic fingerprinting for screening cold tolerance in Arabidopsis thaliana accessions.\n \n \n \n \n\n\n \n Vaclavik, L.; Mishra, A.; Mishra, K.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 405(8): 2671–2683. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MassPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{vaclavik_mass_2013,\n\ttitle = {Mass spectrometry-based metabolomic fingerprinting for screening cold tolerance in {Arabidopsis} thaliana accessions},\n\tvolume = {405},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-6692-1},\n\tdoi = {10.1007/s00216-012-6692-1},\n\tabstract = {The availability of rapid and reliable tools for monitoring of plants’ cold tolerance is a prerequisite for research aimed at breeding of cold-tolerant crop plants. Therefore, we have tested the capacity of metabolomics-based methods employing ultra-high-performance liquid chromatography (UHPLC)–mass spectrometry and direct analysis in real time–mass spectrometry for high-throughput screening of cold tolerance in eight differentially cold-tolerant accessions of Arabidopsis thaliana. Metabolomic fingerprinting of leaf tissues was performed in methanolic extracts for (1) 6-week-old non-acclimated (NAC) plants grown at room temperature, (2) NAC plants cold-acclimated (ACC) at 4 °C for 2 weeks, and (3) cold-acclimated plants given sub-zero-temperature treatments by slow cooling at −4 °C for 8 h. The generated chromatograms and mass spectra were processed with the use of multivariate statistical analysis employing principal component analysis (PCA) and linear discriminant analysis. The PCA of metabolomic fingerprints classified the investigated A. thaliana accessions into three categories with low, intermediate, and high cold tolerance for both the cold-acclimated and the sub-zero-temperature-treated plants. This indicates the potential application of metabolomics-based fingerprinting for measuring cold tolerance in the cold-acclimated state, i.e., without treating plants at freezing temperatures that is required by currently available methods. Furthermore, we employed UHPLC coupled to the quadrupole-time-of-flight mass spectrometry to identify characteristic metabolites in ACC state and found the abundance of gluconapin and flavon-3-ol glycosides, respectively, in the cold-sensitive and the cold-tolerant accessions.},\n\tlanguage = {English},\n\tnumber = {8},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Vaclavik, Lukas and Mishra, Anamika and Mishra, KumudB. and Hajslova, Jana},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {Arabidopsis thaliana, Chemometric analysis, Cold tolerance, DART–MS, LC–MS, Metabolomic fingerprinting},\n\tpages = {2671--2683},\n}\n\n\n\n
\n
\n\n\n
\n The availability of rapid and reliable tools for monitoring of plants’ cold tolerance is a prerequisite for research aimed at breeding of cold-tolerant crop plants. Therefore, we have tested the capacity of metabolomics-based methods employing ultra-high-performance liquid chromatography (UHPLC)–mass spectrometry and direct analysis in real time–mass spectrometry for high-throughput screening of cold tolerance in eight differentially cold-tolerant accessions of Arabidopsis thaliana. Metabolomic fingerprinting of leaf tissues was performed in methanolic extracts for (1) 6-week-old non-acclimated (NAC) plants grown at room temperature, (2) NAC plants cold-acclimated (ACC) at 4 °C for 2 weeks, and (3) cold-acclimated plants given sub-zero-temperature treatments by slow cooling at −4 °C for 8 h. The generated chromatograms and mass spectra were processed with the use of multivariate statistical analysis employing principal component analysis (PCA) and linear discriminant analysis. The PCA of metabolomic fingerprints classified the investigated A. thaliana accessions into three categories with low, intermediate, and high cold tolerance for both the cold-acclimated and the sub-zero-temperature-treated plants. This indicates the potential application of metabolomics-based fingerprinting for measuring cold tolerance in the cold-acclimated state, i.e., without treating plants at freezing temperatures that is required by currently available methods. Furthermore, we employed UHPLC coupled to the quadrupole-time-of-flight mass spectrometry to identify characteristic metabolites in ACC state and found the abundance of gluconapin and flavon-3-ol glycosides, respectively, in the cold-sensitive and the cold-tolerant accessions.\n
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\n \n\n \n \n \n \n \n \n Real Time In Situ Chemical Characterization of Sub-micron Organic Particles Using Direct Analysis in Real Time Mass Spectrometry (DART-MS).\n \n \n \n \n\n\n \n Nah, T.; Chan, M.; Leone, S. R; and Wilson, K. R.\n\n\n \n\n\n\n Analytical Chemistry, 85(4): 2087–2095. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RealPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{nah_real_2013,\n\ttitle = {Real {Time} {In} {Situ} {Chemical} {Characterization} of {Sub}-micron {Organic} {Particles} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS})},\n\tvolume = {85},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac302560c},\n\tdoi = {10.1021/ac302560c},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) is used to analyze the chemical composition of nanometer-sized organic aerosol particles in real time at atmospheric pressure. By introducing a stream of particles in between the DART ionization source and the atmospheric pressure inlet of the mass spectrometer, the aerosol is exposed to a thermal flow of helium gas containing some fraction of metastable helium atoms. In this configuration, the molecular constituents of organic particles are desorbed, ionized and detected with reduced molecular ion fragmentation, allowing for compositional identification. Aerosol components that are detected include alkanes, alkenes, acids, esters, alcohols, aldehydes and amino acids. The ion signal produced by DART-MS scales with the aerosol surface area rather than particle volume, suggesting that DART-MS is a viable technique to measure the chemical composition of the particle interface. For oleic acid, particle size measurements of the aerosol stream exiting the ionization region suggest that the probing depth depends upon the desorption temperature. The probing depth is observed to depend upon desorption temperature and is estimated to be on the order of 5 nm for a 185 nm diameter particle at a DART heater temperature of 500 °C. The reaction of ozone with sub-micron oleic acid particles is measured to demonstrate the ability of this technique to identify products and quantify reaction rates in a heterogeneous reaction.},\n\tnumber = {4},\n\turldate = {2013-01-22},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nah, Theodora and Chan, ManNin and Leone, Stephen R and Wilson, Kevin R.},\n\tmonth = jan,\n\tyear = {2013},\n\tpages = {2087--2095},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) is used to analyze the chemical composition of nanometer-sized organic aerosol particles in real time at atmospheric pressure. By introducing a stream of particles in between the DART ionization source and the atmospheric pressure inlet of the mass spectrometer, the aerosol is exposed to a thermal flow of helium gas containing some fraction of metastable helium atoms. In this configuration, the molecular constituents of organic particles are desorbed, ionized and detected with reduced molecular ion fragmentation, allowing for compositional identification. Aerosol components that are detected include alkanes, alkenes, acids, esters, alcohols, aldehydes and amino acids. The ion signal produced by DART-MS scales with the aerosol surface area rather than particle volume, suggesting that DART-MS is a viable technique to measure the chemical composition of the particle interface. For oleic acid, particle size measurements of the aerosol stream exiting the ionization region suggest that the probing depth depends upon the desorption temperature. The probing depth is observed to depend upon desorption temperature and is estimated to be on the order of 5 nm for a 185 nm diameter particle at a DART heater temperature of 500 °C. The reaction of ozone with sub-micron oleic acid particles is measured to demonstrate the ability of this technique to identify products and quantify reaction rates in a heterogeneous reaction.\n
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\n \n\n \n \n \n \n \n \n Direct Peel Monitoring of Xenobiotics in Fruit by Direct Analysis in Real-Time Coupled to a Linear Quadrupole Ion Trap-Orbitrap Mass Spectrometer.\n \n \n \n \n\n\n \n Farré, M.; Pico, Y.; and Barcelo, D.\n\n\n \n\n\n\n Analytical Chemistry, 85(5): 2638–2644. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{farre_direct_2013,\n\ttitle = {Direct {Peel} {Monitoring} of {Xenobiotics} in {Fruit} by {Direct} {Analysis} in {Real}-{Time} {Coupled} to a {Linear} {Quadrupole} {Ion} {Trap}-{Orbitrap} {Mass} {Spectrometer}},\n\tvolume = {85},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3026702},\n\tdoi = {10.1021/ac3026702},\n\tabstract = {Study of xenobiotics present in fruits peel by exposing it (without any pre-treatment) to direct analysis in real time coupled to a high resolution orbitrap mass spectrometer (DART-HRMS) is reported for the first time. Variables as DART gas heater temperature and pressure, source-to-MS distance and sample velocity are investigated. The analysis of one sample by DART-MS lasts ca. 1 min, and the benefits of both high-resolution and tandem mass spectrometry to elucidate non-target or unknown compounds are combined. Identification of post-harvest fungicides, antioxidants and sugars in fruit peel is performed in the positive ion mode. Possible elemental formula is suggested for marker components. The lowest imazalil concentration that could be detected by this system is 1 ng (equivalent to a concentration of ca. 300 µg kg-1), which is well-below the maximum residue limit. For oranges and apples, direct peel exposition demonstrated good interday precision (within 20 \\% for any concentration) and proper linearity (R2≥0.99), with a dynamic range from 1 to 2500 ng for apple. A comparison of the results obtained using the direct peel screening DART-based method is made with those obtained by DART analysis of solvent extracts, as well as those obtained analyzing these extracts by Ultra High Performance Liquid Chromatography Orbitrap Mass Spectrometry (UHPLC-Orbitrap). The results are in good agreement. Thus, the proposed method proves to be quantitatively accurate with indisputable identification specificity. As an independent method, the approach of direct scanning of peel is of high interest and of potential future within food analysis to guarantee safety, quality and authenticity. ?},\n\tnumber = {5},\n\turldate = {2013-02-05},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Farré, Marinella and Pico, Yolanda and Barcelo, Damia},\n\tmonth = jan,\n\tyear = {2013},\n\tpages = {2638--2644},\n}\n\n\n\n
\n
\n\n\n
\n Study of xenobiotics present in fruits peel by exposing it (without any pre-treatment) to direct analysis in real time coupled to a high resolution orbitrap mass spectrometer (DART-HRMS) is reported for the first time. Variables as DART gas heater temperature and pressure, source-to-MS distance and sample velocity are investigated. The analysis of one sample by DART-MS lasts ca. 1 min, and the benefits of both high-resolution and tandem mass spectrometry to elucidate non-target or unknown compounds are combined. Identification of post-harvest fungicides, antioxidants and sugars in fruit peel is performed in the positive ion mode. Possible elemental formula is suggested for marker components. The lowest imazalil concentration that could be detected by this system is 1 ng (equivalent to a concentration of ca. 300 µg kg-1), which is well-below the maximum residue limit. For oranges and apples, direct peel exposition demonstrated good interday precision (within 20 % for any concentration) and proper linearity (R2≥0.99), with a dynamic range from 1 to 2500 ng for apple. A comparison of the results obtained using the direct peel screening DART-based method is made with those obtained by DART analysis of solvent extracts, as well as those obtained analyzing these extracts by Ultra High Performance Liquid Chromatography Orbitrap Mass Spectrometry (UHPLC-Orbitrap). The results are in good agreement. Thus, the proposed method proves to be quantitatively accurate with indisputable identification specificity. As an independent method, the approach of direct scanning of peel is of high interest and of potential future within food analysis to guarantee safety, quality and authenticity. ?\n
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\n \n\n \n \n \n \n \n \n Soft Ionization of Saturated Hydrocarbons, Alcohols and Nonpolar Compounds by Negative-Ion Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n \n\n\n \n Cody, R.; and Dane, A.\n\n\n \n\n\n\n Journal of The American Society for Mass Spectrometry, 24(3): 329–334. February 2013.\n \n\n\n\n
\n\n\n\n \n \n \"SoftPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cody_soft_2013,\n\ttitle = {Soft {Ionization} of {Saturated} {Hydrocarbons}, {Alcohols} and {Nonpolar} {Compounds} by {Negative}-{Ion} {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}},\n\tvolume = {24},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-012-0569-6},\n\tdoi = {10.1007/s13361-012-0569-6},\n\tabstract = {Large polarizable n-alkanes (approximately C18 and larger), alcohols, and other nonpolar compounds can be detected as negative ions when sample solutions are injected directly into the sampling orifice of the atmospheric pressure interface of the time-of-flight mass spectrometer with the direct analysis in real time (DART) ion source operating in negative-ion mode. The mass spectra are dominated by peaks corresponding to [M + O2]‾•. No fragmentation is observed, making this a very soft ionization technique for samples that are otherwise difficult to analyze by DART. Detection limits for cholesterol were determined to be in the low nanogram range.},\n\tlanguage = {English},\n\tnumber = {3},\n\tjournal = {Journal of The American Society for Mass Spectrometry},\n\tauthor = {Cody, RobertB. and Dane, A.John},\n\tmonth = feb,\n\tyear = {2013},\n\tkeywords = {Alcohols, Alkanes, Ambient, Cholesterol, DART, Direct analysis in real time, Hydrocarbons, Ionization, Negative ions, Triglycerides},\n\tpages = {329--334},\n}\n\n\n\n
\n
\n\n\n
\n Large polarizable n-alkanes (approximately C18 and larger), alcohols, and other nonpolar compounds can be detected as negative ions when sample solutions are injected directly into the sampling orifice of the atmospheric pressure interface of the time-of-flight mass spectrometer with the direct analysis in real time (DART) ion source operating in negative-ion mode. The mass spectra are dominated by peaks corresponding to [M + O2]‾•. No fragmentation is observed, making this a very soft ionization technique for samples that are otherwise difficult to analyze by DART. Detection limits for cholesterol were determined to be in the low nanogram range.\n
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\n \n\n \n \n \n \n \n \n Newborn screening of phenylketonuria using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Wang, C.; Zhu, H.; Cai, Z.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 405(10): 3159–3164. February 2013.\n \n\n\n\n
\n\n\n\n \n \n \"NewbornPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wang_newborn_2013,\n\ttitle = {Newborn screening of phenylketonuria using direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {405},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6713-8},\n\tdoi = {10.1007/s00216-013-6713-8},\n\tabstract = {Phenylketonuria (PKU) is commonly included in the newborn screening panel of most countries, with various techniques being used for quantification of l-phenylalanine (Phe). To diagnose PKU as early as possible in newborn screening, a rapid and simple method of analysis was developed. Using direct analysis in real time (DART) ionization coupled with triple-quadrupole tandem mass spectrometry (TQ-MS/MS) and with use of a 12 DIP-it tip scanner autosampler in positive ion mode, we analyzed dried blood spot (DBS) samples from PKU newborns. The concentration of Phe was determined using multiple reaction monitoring mode with the nondeuterated internal standard N,N-dimethylphenylalanine. The results of the analysis of DBS samples from newborns indicated that the DART-TQ-MS/MS method is fast, accurate, and reproducible. The results prove that this assay as a newborn screen for PKU can be performed in 18 s per sample for the quantification of Phe in DBS samples. DART-TQ-MS/MS analysis of the Phe concentration in DBS samples allowed us to screen newborns for PKU. This innovative protocol is rapid and can be effectively applied on a routine basis to analyze a large number of samples in PKU newborn screening and PKU patient monitoring.},\n\tlanguage = {English},\n\tnumber = {10},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Wang, Chunyan and Zhu, Hongbin and Cai, Zongwei and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tmonth = feb,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time (DART) triple-quadrupole tandem mass spectrometry, Dried blood spot, Phenylalanine, Phenylketonuria},\n\tpages = {3159--3164},\n}\n\n\n\n
\n
\n\n\n
\n Phenylketonuria (PKU) is commonly included in the newborn screening panel of most countries, with various techniques being used for quantification of l-phenylalanine (Phe). To diagnose PKU as early as possible in newborn screening, a rapid and simple method of analysis was developed. Using direct analysis in real time (DART) ionization coupled with triple-quadrupole tandem mass spectrometry (TQ-MS/MS) and with use of a 12 DIP-it tip scanner autosampler in positive ion mode, we analyzed dried blood spot (DBS) samples from PKU newborns. The concentration of Phe was determined using multiple reaction monitoring mode with the nondeuterated internal standard N,N-dimethylphenylalanine. The results of the analysis of DBS samples from newborns indicated that the DART-TQ-MS/MS method is fast, accurate, and reproducible. The results prove that this assay as a newborn screen for PKU can be performed in 18 s per sample for the quantification of Phe in DBS samples. DART-TQ-MS/MS analysis of the Phe concentration in DBS samples allowed us to screen newborns for PKU. This innovative protocol is rapid and can be effectively applied on a routine basis to analyze a large number of samples in PKU newborn screening and PKU patient monitoring.\n
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\n \n\n \n \n \n \n \n \n The Classification of Inkjet Inks Using AccuTOF™DART™ (Direct Analysis in Real Time) Mass Spectrometry—A Preliminary Study.\n \n \n \n \n\n\n \n Houlgrave, S.; LaPorte, G. M.; Stephens, J. C.; and Wilson, J. L.\n\n\n \n\n\n\n Journal of Forensic Sciences, 58(3): 813–821. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{houlgrave_classification_2013,\n\ttitle = {The {Classification} of {Inkjet} {Inks} {Using} {AccuTOF}™{DART}™ ({Direct} {Analysis} in {Real} {Time}) {Mass} {Spectrometry}—{A} {Preliminary} {Study}},\n\tvolume = {58},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12048},\n\tdoi = {10.1111/1556-4029.12048},\n\tabstract = {A novel approach for the analysis of inkjet inks is being reported. A time-of-flight mass spectrometer, coupled with a Direct Analysis in Real Time (DART™) ion source (AccuTOF™ DART™), was used to determine if inkjet inks from various manufacturers and models of printers could be reliably differentiated, characterized, and identified. A total of 217 ink standards were analyzed. As inkjet printing often involves the use of multiple colors (e.g., cyan, magenta, yellow, and black) to form an image or text, two different approaches to creating a library of standards and sampling methods were evaluated for implementation in a standard operating procedure. This research will show that a microscopic examination of the region of interest is requisite to identify what colors were utilized during the printing process, prior to comparing with known standards. Finally, blind testing was administered with 10 unknown samples to assess the validity and accuracy of the methodology.},\n\tnumber = {3},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Houlgrave, Stephanie and LaPorte, Gerald M. and Stephens, Joseph C. and Wilson, Justin L.},\n\tyear = {2013},\n\tkeywords = {DART™, Direct analysis in real time, forensic document examination, forensic science, ink analysis, inkjet inks, mass spectrometry, printers, questioned documents},\n\tpages = {813--821},\n}\n\n\n\n
\n
\n\n\n
\n A novel approach for the analysis of inkjet inks is being reported. A time-of-flight mass spectrometer, coupled with a Direct Analysis in Real Time (DART™) ion source (AccuTOF™ DART™), was used to determine if inkjet inks from various manufacturers and models of printers could be reliably differentiated, characterized, and identified. A total of 217 ink standards were analyzed. As inkjet printing often involves the use of multiple colors (e.g., cyan, magenta, yellow, and black) to form an image or text, two different approaches to creating a library of standards and sampling methods were evaluated for implementation in a standard operating procedure. This research will show that a microscopic examination of the region of interest is requisite to identify what colors were utilized during the printing process, prior to comparing with known standards. Finally, blind testing was administered with 10 unknown samples to assess the validity and accuracy of the methodology.\n
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\n \n\n \n \n \n \n \n \n Rapid determination of 5-hydroxymethylfurfural by DART ionization with time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Rajchl, A.; Drgová, L.; Grégrová, A.; Čížková, H.; Ševčík, R.; and Voldřich, M.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 405(14): 4737–4745. March 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rajchl_rapid_2013,\n\ttitle = {Rapid determination of 5-hydroxymethylfurfural by {DART} ionization with time-of-flight mass spectrometry},\n\tvolume = {405},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6875-4},\n\tdoi = {10.1007/s00216-013-6875-4},\n\tabstract = {DART (direct analysis in real time), a novel technique with wide potential for rapid screening analysis, coupled with high-resolution time-of-flight mass spectrometry (TOF-MS) has been used for quantitative analysis of 5-hydroxymethylfurfural (5-HMF), a typical temperature marker of food. The DART/TOF-MS method was optimised and validated. Quantification of 5-HMF was achieved by use of a stable isotope-labelled 5-HMF standard prepared from glucose. Formation of 5-HMF from saccharides, a potential source of overestimation of results, was evaluated. Forty-four real samples (honey and caramelised condensed sweetened milk) and 50 model samples of heated honey were analysed. The possibility of using DART for analysis of heated samples of honey was confirmed. HPLC and DART/TOF-MS methods for determination of 5-HMF were compared. The correlation equation between these methods was DART = 1.0287HPLC + 0.21340, R 2 = 0.9557. The DART/TOF-MS method has been proved to enable efficient and rapid determination of 5-HMF in a variety of food matrices, for example honey and caramel.},\n\tlanguage = {English},\n\tnumber = {14},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Rajchl, Aleš and Drgová, Ladislava and Grégrová, Adéla and Čížková, Helena and Ševčík, Rudolf and Voldřich, Michal},\n\tmonth = mar,\n\tyear = {2013},\n\tkeywords = {5-HMF, Caramel, DART, HPLC, Honey, TOF-MS},\n\tpages = {4737--4745},\n}\n\n\n\n
\n
\n\n\n
\n DART (direct analysis in real time), a novel technique with wide potential for rapid screening analysis, coupled with high-resolution time-of-flight mass spectrometry (TOF-MS) has been used for quantitative analysis of 5-hydroxymethylfurfural (5-HMF), a typical temperature marker of food. The DART/TOF-MS method was optimised and validated. Quantification of 5-HMF was achieved by use of a stable isotope-labelled 5-HMF standard prepared from glucose. Formation of 5-HMF from saccharides, a potential source of overestimation of results, was evaluated. Forty-four real samples (honey and caramelised condensed sweetened milk) and 50 model samples of heated honey were analysed. The possibility of using DART for analysis of heated samples of honey was confirmed. HPLC and DART/TOF-MS methods for determination of 5-HMF were compared. The correlation equation between these methods was DART = 1.0287HPLC + 0.21340, R 2 = 0.9557. The DART/TOF-MS method has been proved to enable efficient and rapid determination of 5-HMF in a variety of food matrices, for example honey and caramel.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time-mass spectrometry (DART-MS) for rapid qualitative screening of toxic glycols in glycerin-containing products.\n \n \n \n \n\n\n \n Self, R. L.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 80: 155–158. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{self_direct_2013,\n\ttitle = {Direct analysis in real time-mass spectrometry ({DART}-{MS}) for rapid qualitative screening of toxic glycols in glycerin-containing products},\n\tvolume = {80},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708513001052},\n\tdoi = {10.1016/j.jpba.2013.02.037},\n\tabstract = {In 2007, the United States Food and Drug Administration released guidance recommending testing of glycerin used in regulated consumer products, such as cough syrup preparations, toothpaste, and other pharmaceutical and food products, for the toxic compounds ethylene glycol and diethylene glycol. Regulatory laboratories routinely test glycerin, and products containing glycerin or related compounds for these toxic glycols, using an official gas chromatographic method, to ensure the safety of these products. The current work describes a companion technique to compliment this GC-FID method utilizing Orbitrap mass spectrometry with direct analysis in real time ionization to rapidly screen these samples qualitatively, with results in as little as five seconds, with no sample preparation required. This allows the more time and resource intensive method to be reserved for those rare cases when these compounds are detected, potentially greatly improving laboratory efficiency. The technique was evaluated for qualitative sensitivity and repeatability, and compared against the GC-FID method. The method appears to perform well against these metrics.},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Self, Randy L.},\n\tyear = {2013},\n\tkeywords = {Diethylene glycol, Direct analysis in real time, Ethylene glycol, Glycerin, Orbitrap},\n\tpages = {155--158},\n}\n\n\n\n
\n
\n\n\n
\n In 2007, the United States Food and Drug Administration released guidance recommending testing of glycerin used in regulated consumer products, such as cough syrup preparations, toothpaste, and other pharmaceutical and food products, for the toxic compounds ethylene glycol and diethylene glycol. Regulatory laboratories routinely test glycerin, and products containing glycerin or related compounds for these toxic glycols, using an official gas chromatographic method, to ensure the safety of these products. The current work describes a companion technique to compliment this GC-FID method utilizing Orbitrap mass spectrometry with direct analysis in real time ionization to rapidly screen these samples qualitatively, with results in as little as five seconds, with no sample preparation required. This allows the more time and resource intensive method to be reserved for those rare cases when these compounds are detected, potentially greatly improving laboratory efficiency. The technique was evaluated for qualitative sensitivity and repeatability, and compared against the GC-FID method. The method appears to perform well against these metrics.\n
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\n \n\n \n \n \n \n \n \n Application of direct analysis in real time ionization–mass spectrometry (DART–MS) in chicken meat metabolomics aiming at the retrospective control of feed fraud.\n \n \n \n \n\n\n \n Cajka, T.; Danhelova, H.; Zachariasova, M.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Metabolomics, 9(3): 545–557. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cajka_application_2013,\n\ttitle = {Application of direct analysis in real time ionization–mass spectrometry ({DART}–{MS}) in chicken meat metabolomics aiming at the retrospective control of feed fraud},\n\tvolume = {9},\n\tissn = {1573-3882},\n\turl = {http://dx.doi.org/10.1007/s11306-013-0495-z},\n\tdoi = {10.1007/s11306-013-0495-z},\n\tabstract = {Metabolomic fingerprinting enabled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium–high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a tool for differentiation between chickens fed by feed that contained 5–8 \\% (w/w) of chicken bone meal (a banned component) and those representing a reference group, i.e. grown otherwise under the same conditions. In the first step, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from chicken muscle and feed on which experimental animals were grown. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. In the next step, metabolomic fingerprints of a large set of chicken muscle and feed extracts were acquired. In the final phase, the experimental data were statistically evaluated using principal component analysis and orthogonal partial least squares discriminant analysis. In general, differentiation of chicken muscle according to diet (feed with and without the addition of chicken bone meal) was feasible. Additional experiments conducted after 6 months confirmed applicability of this approach. Correct classification was obtained based on the assessment of polar as well as non-polar extracts fingerprints. However, the analysis of non-polar extracts showed that the pattern of triacylglycerols is more prone to seasonal variability and/or type of raw materials used during feed preparation which obscures the bone meal impact to some extent.},\n\tlanguage = {English},\n\tnumber = {3},\n\tjournal = {Metabolomics},\n\tauthor = {Cajka, Tomas and Danhelova, Hana and Zachariasova, Milena and Riddellova, Katerina and Hajslova, Jana},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {Authenticity, Chicken, Direct analysis in real time (DART), Feed, Metabolomic fingerprinting, mass spectrometry},\n\tpages = {545--557},\n}\n\n\n\n
\n
\n\n\n
\n Metabolomic fingerprinting enabled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium–high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a tool for differentiation between chickens fed by feed that contained 5–8 % (w/w) of chicken bone meal (a banned component) and those representing a reference group, i.e. grown otherwise under the same conditions. In the first step, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from chicken muscle and feed on which experimental animals were grown. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. In the next step, metabolomic fingerprints of a large set of chicken muscle and feed extracts were acquired. In the final phase, the experimental data were statistically evaluated using principal component analysis and orthogonal partial least squares discriminant analysis. In general, differentiation of chicken muscle according to diet (feed with and without the addition of chicken bone meal) was feasible. Additional experiments conducted after 6 months confirmed applicability of this approach. Correct classification was obtained based on the assessment of polar as well as non-polar extracts fingerprints. However, the analysis of non-polar extracts showed that the pattern of triacylglycerols is more prone to seasonal variability and/or type of raw materials used during feed preparation which obscures the bone meal impact to some extent.\n
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\n \n\n \n \n \n \n \n \n Evaluation of direct analysis in real time ionization–mass spectrometry (DART–MS) in fish metabolomics aimed to assess the response to dietary supplementation.\n \n \n \n \n\n\n \n Cajka, T.; Danhelova, H.; Vavrecka, A.; Riddellova, K.; Kocourek, V.; Vacha, F.; and Hajslova, J.\n\n\n \n\n\n\n Talanta, 115: 263–270. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cajka_evaluation_2013,\n\ttitle = {Evaluation of direct analysis in real time ionization–mass spectrometry ({DART}–{MS}) in fish metabolomics aimed to assess the response to dietary supplementation},\n\tvolume = {115},\n\tissn = {0039-9140},\n\turl = {http://www.sciencedirect.com/science/article/pii/S003991401300307X},\n\tdoi = {10.1016/j.talanta.2013.04.025},\n\tabstract = {Abstract \nAmbient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium-high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a rapid tool for metabolomic fingerprinting to study the effects of supplemental feeding with cereals (triticale) on the composition of muscle metabolites of common carp (Cyprinus carpio L.). \n \nFirst, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from common carp muscle. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. Next, the metabolomic fingerprints (mass spectra) of a large set of common carp muscle extracts were acquired. Finally, the experimental data were statistically evaluated using principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). \n \nUsing this approach, differentiation of common carp muscle in response to dietary supplementation (feeding with and without cereals) was feasible. Correct classification was obtained based on the assessment of polar and as well as non-polar extracts fingerprints. The current study showed that DART–TOFMS metabolomic fingerprinting represents a rapid and powerful analytical strategy enabling differentiation of common carp muscles according to feeding history by recording metabolomic fingerprints of ionizable components under the conditions of ambient MS.},\n\tjournal = {Talanta},\n\tauthor = {Cajka, Tomas and Danhelova, Hana and Vavrecka, Antonin and Riddellova, Katerina and Kocourek, Vladimir and Vacha, Frantisek and Hajslova, Jana},\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time (DART), Feeding, Fish, Metabolomic fingerprinting, mass spectrometry},\n\tpages = {263--270},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Ambient mass spectrometry employing a direct analysis in real time (DART) ion source coupled to a medium-high resolution/accurate mass time-of-flight mass spectrometer (TOFMS) was used as a rapid tool for metabolomic fingerprinting to study the effects of supplemental feeding with cereals (triticale) on the composition of muscle metabolites of common carp (Cyprinus carpio L.). First, the sample extraction and DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in the extracts obtained from common carp muscle. To this end, a simultaneous (all-in-one) extraction procedure was developed employing water and cyclohexane mixture as the extraction solvents. Under these conditions both polar as well as non-polar metabolites were isolated within a single extraction step. Next, the metabolomic fingerprints (mass spectra) of a large set of common carp muscle extracts were acquired. Finally, the experimental data were statistically evaluated using principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). Using this approach, differentiation of common carp muscle in response to dietary supplementation (feeding with and without cereals) was feasible. Correct classification was obtained based on the assessment of polar and as well as non-polar extracts fingerprints. The current study showed that DART–TOFMS metabolomic fingerprinting represents a rapid and powerful analytical strategy enabling differentiation of common carp muscles according to feeding history by recording metabolomic fingerprints of ionizable components under the conditions of ambient MS.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) of \"Bath Salt\" Cathinone Drug Mixtures.\n \n \n \n \n\n\n \n Lesiak, A.; Musah, R.; Cody, R. B; Domin, M. A.; Dane, J.; and Shepard, J. R. E.\n\n\n \n\n\n\n Analyst, 138: 3424–3432. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lesiak_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) of "{Bath} {Salt}" {Cathinone} {Drug} {Mixtures}},\n\tvolume = {138},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00360D},\n\tdoi = {10.1039/C3AN00360D},\n\tabstract = {Rapid and versatile direct analysis in real time mass spectrometry (DART-MS) methods were developed for detection and characterization of synthetic cathinone designer drugs, also known as "bath salts". The speed and efficiency associated with DART-MS testing of such highly unpredictable samples demonstrate the technique as an attractive alternative to conventional GC-MS and LC-MS methods. A series of isobaric and closely related synthetic cathinones, alone and in mixtures, were differentiated using high mass accuracy and in-source collision induced dissociation (CID). Crime laboratories have observed a dramatic rise in the use of these substances, which has caused sample testing backlogs, particularly since the myriad of closely structurally related compounds are challenging to efficiently differentiate. This challenge is compounded by the perpetual emergence of new structural variants as soon as older generation derivatives become scheduled. Because of the numerous chemical substances that fall into these categories, along with the varying composition and complexity of mixtures of these drugs, DART-MS CID has the potential to dramatically streamline sample analysis, minimize the number of sample preparation steps, and enable rapid characterization of emerging structural analogs.},\n\tjournal = {Analyst},\n\tauthor = {Lesiak, Ashton and Musah, Rabi and Cody, Robert B and Domin, Marek Adam and Dane, John and Shepard, Jason R. E.},\n\tyear = {2013},\n\tpages = {3424--3432},\n}\n\n\n\n
\n
\n\n\n
\n Rapid and versatile direct analysis in real time mass spectrometry (DART-MS) methods were developed for detection and characterization of synthetic cathinone designer drugs, also known as \"bath salts\". The speed and efficiency associated with DART-MS testing of such highly unpredictable samples demonstrate the technique as an attractive alternative to conventional GC-MS and LC-MS methods. A series of isobaric and closely related synthetic cathinones, alone and in mixtures, were differentiated using high mass accuracy and in-source collision induced dissociation (CID). Crime laboratories have observed a dramatic rise in the use of these substances, which has caused sample testing backlogs, particularly since the myriad of closely structurally related compounds are challenging to efficiently differentiate. This challenge is compounded by the perpetual emergence of new structural variants as soon as older generation derivatives become scheduled. Because of the numerous chemical substances that fall into these categories, along with the varying composition and complexity of mixtures of these drugs, DART-MS CID has the potential to dramatically streamline sample analysis, minimize the number of sample preparation steps, and enable rapid characterization of emerging structural analogs.\n
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\n \n\n \n \n \n \n \n \n Real time in situ chemical characterization of sub-micron organic aerosols using Direct Analysis in Real Time mass spectrometry (DART-MS): the effect of aerosol size and volatility.\n \n \n \n \n\n\n \n Chan, M. N.; Nah, T.; and Wilson, K. R.\n\n\n \n\n\n\n Analyst, 138: 3749–3757. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RealPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chan_real_2013,\n\ttitle = {Real time in situ chemical characterization of sub-micron organic aerosols using {Direct} {Analysis} in {Real} {Time} mass spectrometry ({DART}-{MS}): the effect of aerosol size and volatility},\n\tvolume = {138},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00168G},\n\tdoi = {10.1039/C3AN00168G},\n\tabstract = {Direct Analysis in Real Time (DART) mass spectrometry is an atmospheric pressure ionization technique suitable for in situ chemical analysis of organic aerosols. Here, mass spectra are obtained by introducing a stream of nanometer-sized aerosols into the ionization region, which is an open space between the ion source and the atmospheric inlet of mass spectrometer. Model single component aerosols are used to show how the aerosol size and volatility influence the measured ion signals at different DART gas temperatures. The results show that for equivalent aerosol mass concentrations, the ion signal scales with particle surface area, with smaller diameter oleic acid aerosols yielding higher ion signals relative to larger diameter aerosols. For the aerosols of the same size, but different vapor pressures, the ion signal is larger for more volatile succinic acid aerosols than less volatile adipic and suberic acid particles. From the measured changes in aerosol size, produced by the DART source, the radial probing depth for these model aerosols range from 1 to 10 nm, the magnitude of which depends upon the physiochemical properties of the aerosols and DART gas temperature. An aerosol evaporation model reveals that the ion signal is correlated with changes in aerosol size and depends upon the total quantity of evaporated aerosol mass, consistent with a mechanism in which gas-phase molecules are first desorbed from the aerosol surface prior to ionization. The results of this work serve as a basis for future investigations of the mass spectra, ionization pathways, and probing depth of the aerosols using DART.},\n\tjournal = {Analyst},\n\tauthor = {Chan, Man Nin and Nah, Theodora and Wilson, Kevin R.},\n\tyear = {2013},\n\tpages = {3749--3757},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART) mass spectrometry is an atmospheric pressure ionization technique suitable for in situ chemical analysis of organic aerosols. Here, mass spectra are obtained by introducing a stream of nanometer-sized aerosols into the ionization region, which is an open space between the ion source and the atmospheric inlet of mass spectrometer. Model single component aerosols are used to show how the aerosol size and volatility influence the measured ion signals at different DART gas temperatures. The results show that for equivalent aerosol mass concentrations, the ion signal scales with particle surface area, with smaller diameter oleic acid aerosols yielding higher ion signals relative to larger diameter aerosols. For the aerosols of the same size, but different vapor pressures, the ion signal is larger for more volatile succinic acid aerosols than less volatile adipic and suberic acid particles. From the measured changes in aerosol size, produced by the DART source, the radial probing depth for these model aerosols range from 1 to 10 nm, the magnitude of which depends upon the physiochemical properties of the aerosols and DART gas temperature. An aerosol evaporation model reveals that the ion signal is correlated with changes in aerosol size and depends upon the total quantity of evaporated aerosol mass, consistent with a mechanism in which gas-phase molecules are first desorbed from the aerosol surface prior to ionization. The results of this work serve as a basis for future investigations of the mass spectra, ionization pathways, and probing depth of the aerosols using DART.\n
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\n \n\n \n \n \n \n \n \n Determination of cocaine and methadone in urine samples by thin-film solid-phase microextraction and direct analysis in real time (DART) coupled with tandem mass spectrometry.\n \n \n \n \n\n\n \n Rodriguez-Lafuente, A.; Mirnaghi, F.; and Pawliszyn, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 405(30): 9723–9727. May 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rodriguez-lafuente_determination_2013,\n\ttitle = {Determination of cocaine and methadone in urine samples by thin-film solid-phase microextraction and direct analysis in real time ({DART}) coupled with tandem mass spectrometry},\n\tvolume = {405},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-013-6993-z},\n\tdoi = {10.1007/s00216-013-6993-z},\n\tabstract = {The use of thin-film solid-phase microextraction (SPME) as the sampling preparation step before direct analysis in real time (DART) was evaluated for the determination of two prohibited doping substances, cocaine and methadone, in urine samples. Results showed that thin-film SPME improves the detectability of these compounds: signal-to-blank ratios of 5 (cocaine) and 13 (methadone) were obtained in the analysis of 0.5 ng/ml in human urine. Thin-film SPME also provides efficient sample cleanup, avoiding contamination of the ion source by salt residues from the urine samples. Extraction time was established in 10 min, thus providing relatively short analysis time and high throughput when combined with a 96-well shaker and coupled with DART technique.},\n\tlanguage = {English},\n\tnumber = {30},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Rodriguez-Lafuente, Angel and Mirnaghi, FatemehS. and Pawliszyn, Janusz},\n\tmonth = may,\n\tyear = {2013},\n\tkeywords = {DART, Doping, Thin-film SPME, Urine},\n\tpages = {9723--9727},\n}\n\n\n\n
\n
\n\n\n
\n The use of thin-film solid-phase microextraction (SPME) as the sampling preparation step before direct analysis in real time (DART) was evaluated for the determination of two prohibited doping substances, cocaine and methadone, in urine samples. Results showed that thin-film SPME improves the detectability of these compounds: signal-to-blank ratios of 5 (cocaine) and 13 (methadone) were obtained in the analysis of 0.5 ng/ml in human urine. Thin-film SPME also provides efficient sample cleanup, avoiding contamination of the ion source by salt residues from the urine samples. Extraction time was established in 10 min, thus providing relatively short analysis time and high throughput when combined with a 96-well shaker and coupled with DART technique.\n
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\n \n\n \n \n \n \n \n \n Monitoring tea fermentation/manufacturing by Direct Analysis in Real Time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Fraser, K.; Lane, G. A.; Otter, D. E.; Harrison, S. J.; Quek, S.; Hemar, Y.; and Rasmussen, S.\n\n\n \n\n\n\n Food Chemistry, 141(3): 2060–2065. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MonitoringPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{fraser_monitoring_2013,\n\ttitle = {Monitoring tea fermentation/manufacturing by {Direct} {Analysis} in {Real} {Time} ({DART}) mass spectrometry},\n\tvolume = {141},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814613006390},\n\tdoi = {10.1016/j.foodchem.2013.05.054},\n\tabstract = {Abstract \nFactors such as fermentation methods, geographical origin and season can affect the biochemical composition of tea leaves (Camellia sinensis L.). In this study, the biochemical composition of oolong tea during the manufacturing and fermentation process was studied using a non-targeted method utilising ambient ionisation with a direct analysis in real time (DART) ion source and mass spectrometry (MS). Caffeine dominated the positive ionisation spectra throughout the manufacturing process, while the negative ion spectra collected during manufacturing were rich in ions likely to be surface lipids. Correlation analyses on the spectra revealed two volatile compounds tentatively identified as indole and geranic acid, along with ammonium and caffeine clusters/adducts with geranic acid that increased in concentration during the fermentation stages of the process. The tentative identifications were assigned using a combination of DART-ion-trap MSn and DART-accurate mass MS1 and MS2 on tea samples and standard compounds. This study highlights the potential of DART-MS to rapidly monitor the progress of complex manufacturing processes such as tea fermentation.},\n\tnumber = {3},\n\tjournal = {Food Chemistry},\n\tauthor = {Fraser, Karl and Lane, Geoff A. and Otter, Don E. and Harrison, Scott J. and Quek, Siew-Young and Hemar, Yacine and Rasmussen, Susanne},\n\tyear = {2013},\n\tkeywords = {Caffeine, DARTMass spectrometry, Direct analysis in real time, Fermentation, Geranic acid, Profiling, Tea, Tea manufacturing},\n\tpages = {2060--2065},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Factors such as fermentation methods, geographical origin and season can affect the biochemical composition of tea leaves (Camellia sinensis L.). In this study, the biochemical composition of oolong tea during the manufacturing and fermentation process was studied using a non-targeted method utilising ambient ionisation with a direct analysis in real time (DART) ion source and mass spectrometry (MS). Caffeine dominated the positive ionisation spectra throughout the manufacturing process, while the negative ion spectra collected during manufacturing were rich in ions likely to be surface lipids. Correlation analyses on the spectra revealed two volatile compounds tentatively identified as indole and geranic acid, along with ammonium and caffeine clusters/adducts with geranic acid that increased in concentration during the fermentation stages of the process. The tentative identifications were assigned using a combination of DART-ion-trap MSn and DART-accurate mass MS1 and MS2 on tea samples and standard compounds. This study highlights the potential of DART-MS to rapidly monitor the progress of complex manufacturing processes such as tea fermentation.\n
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\n \n\n \n \n \n \n \n \n Characterization of Blood in an Encrustation on an African Mask: Spectroscopic and Direct Analysis in Real Time Mass Spectrometric Identification of Haem.\n \n \n \n \n\n\n \n Fraser, D.; Selvius DeRoo, C.; Cody, R. B; and Armitage, R. A.\n\n\n \n\n\n\n Analyst, 138: 4470–4474. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fraser_characterization_2013,\n\ttitle = {Characterization of {Blood} in an {Encrustation} on an {African} {Mask}: {Spectroscopic} and {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometric} {Identification} of {Haem}},\n\tvolume = {138},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C3AN00633F},\n\tdoi = {10.1039/C3AN00633F},\n\tabstract = {Prior to exhibiting an African Komo mask from the collections of the Detroit Institute of Arts, a multianalytical approach was undertaken to characterize the flaking encrusted coating on the surface of the mask. Preliminary XRF and FTIR examination of the coating on the Komo mask revealed the presence of significant quantities of iron and protein, possibly indicating the presence of blood. Raman spectroscopy showed evidence for the porphyrin structure of haem as well. To confirm that blood was indeed present in the coating, we developed a novel method for identifying the haem moiety from blood by use of in-situ methylation and direct analysis in real time mass spectrometry (DART-MS). Following a denaturing step with formic acid, the resulting solution was combined with an excess of phenyltrimethylammonium hydroxide to promote desorption, applied to a melting point tube, and placed into the Direct Analysis in Real Time ion source gas stream at 550 [degree]C. The permethylated haem ion (m/z 644.208) from myoglobin, haemoglobin, fresh blood, and blood aged in the laboratory for 10 years was readily observed above the background. By the described DART-TOF-MS method, permethylated haem was positively identified in the mask coating, confirming the presence of blood. This method has obvious utility in forensic science beyond that for identifying blood incorporated in cultural heritage materials.},\n\tjournal = {Analyst},\n\tauthor = {Fraser, Daniel and Selvius DeRoo, Cathy and Cody, Robert B and Armitage, Ruth Ann},\n\tyear = {2013},\n\tpages = {4470--4474},\n}\n\n\n\n
\n
\n\n\n
\n Prior to exhibiting an African Komo mask from the collections of the Detroit Institute of Arts, a multianalytical approach was undertaken to characterize the flaking encrusted coating on the surface of the mask. Preliminary XRF and FTIR examination of the coating on the Komo mask revealed the presence of significant quantities of iron and protein, possibly indicating the presence of blood. Raman spectroscopy showed evidence for the porphyrin structure of haem as well. To confirm that blood was indeed present in the coating, we developed a novel method for identifying the haem moiety from blood by use of in-situ methylation and direct analysis in real time mass spectrometry (DART-MS). Following a denaturing step with formic acid, the resulting solution was combined with an excess of phenyltrimethylammonium hydroxide to promote desorption, applied to a melting point tube, and placed into the Direct Analysis in Real Time ion source gas stream at 550 [degree]C. The permethylated haem ion (m/z 644.208) from myoglobin, haemoglobin, fresh blood, and blood aged in the laboratory for 10 years was readily observed above the background. By the described DART-TOF-MS method, permethylated haem was positively identified in the mask coating, confirming the presence of blood. This method has obvious utility in forensic science beyond that for identifying blood incorporated in cultural heritage materials.\n
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\n \n\n \n \n \n \n \n \n The use HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS for rapid analysis of degradation by oxidation and sonication of an azo dye.\n \n \n \n \n\n\n \n Djelal, H.; Cornée, C.; Tartivel, R.; Lavastre, O.; and Amrane, A.\n\n\n \n\n\n\n Arabian Journal of Chemistry. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{djelal_use_2013,\n\ttitle = {The use {HPTLC} and {Direct} {Analysis} in {Real} {Time}-{Of}-{Flight} {Mass} {Spectrometry} {DART}-{TOF}-{MS} for rapid analysis of degradation by oxidation and sonication of an azo dye},\n\tissn = {1878-5352},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1878535213001676},\n\tdoi = {10.1016/j.arabjc.2013.06.003},\n\tabstract = {Abstract \nAdvanced oxidation processes are efficient for the removal of recalcitrant compounds, like azo-dyes. However, the intermediates produced during their degradation can be more toxic than the parent compounds. Improving the knowledge concerning the degradation pathways may be therefore helpful to optimize the process. In this aim, HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS were considered and applied to analyze the sono-oxidation of an azo dye, methyl red sodium salt (MRSS) as a model compound. Initial and final UV-Vis spectra showed a clear disappearance of the maximum absorption peak, but shows limit since it cannot allow by-products identification. MRSS degradation was confirmed by HPTLC, which also confirmed that MRSS degradation was mainly due to oxidation, while in the considered experimental conditions the sonication effect appeared negligible. Three major peaks were observed by DART-TOF-MS after MRSS oxidation, m/z=139.002, m/z=223.073 and m/z=279.137, Relative abundance of m/z=139.002, which was much higher after oxidation, tends to prove that a large proportion of initial oxydized MRSS was fragmented. The MRSS m/z = 270.078. The coupling of HPTLC and DART-TOF-MS may be subsequently considered to identify the oxidation reaction products.},\n\tjournal = {Arabian Journal of Chemistry},\n\tauthor = {Djelal, Hayet and Cornée, Carole and Tartivel, Ronan and Lavastre, Olivier and Amrane, Abdeltif},\n\tyear = {2013},\n\tkeywords = {Azo dyes, DART-TOF-MS, HPTLC, MRSS, Sono-oxidation},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Advanced oxidation processes are efficient for the removal of recalcitrant compounds, like azo-dyes. However, the intermediates produced during their degradation can be more toxic than the parent compounds. Improving the knowledge concerning the degradation pathways may be therefore helpful to optimize the process. In this aim, HPTLC and Direct Analysis in Real Time-Of-Flight Mass Spectrometry DART-TOF-MS were considered and applied to analyze the sono-oxidation of an azo dye, methyl red sodium salt (MRSS) as a model compound. Initial and final UV-Vis spectra showed a clear disappearance of the maximum absorption peak, but shows limit since it cannot allow by-products identification. MRSS degradation was confirmed by HPTLC, which also confirmed that MRSS degradation was mainly due to oxidation, while in the considered experimental conditions the sonication effect appeared negligible. Three major peaks were observed by DART-TOF-MS after MRSS oxidation, m/z=139.002, m/z=223.073 and m/z=279.137, Relative abundance of m/z=139.002, which was much higher after oxidation, tends to prove that a large proportion of initial oxydized MRSS was fragmented. The MRSS m/z = 270.078. The coupling of HPTLC and DART-TOF-MS may be subsequently considered to identify the oxidation reaction products.\n
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\n \n\n \n \n \n \n \n \n Detection of drugs in latent fingermarks by two mass spectrometric methods.\n \n \n \n \n\n\n \n Lim, A. Y.; Rowell, F J; Elumbaring-Salazar, C. G.; Loke, J.; and Ma, J.\n\n\n \n\n\n\n Analytical Methods, 5: 4378–4385. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lim_detection_2013,\n\ttitle = {Detection of drugs in latent fingermarks by two mass spectrometric methods},\n\tvolume = {5},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY40538A},\n\tdoi = {10.1039/C3AY40538A},\n\tabstract = {The ability of two mass spectrometric methods, surface assisted laser desorption ionization mass spectrometry (SALDI-MS) and direct analysis in real time mass spectrometry (DART-MS), to detect the presence of 5 drugs in latent fingermarks has been examined. It was found that each drug could be detected with good sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-MS. In contrast, for latent marks lifted from 3 surfaces (ceramic tile, wood laminate and backing of adhesive tape), no drug could be detected in dusted marks on the surface of a commercial lifting tape by DART-MS due to high background interference from the tape material, whereas all the drugs could be detected by SALDI-MS on equivalent marks. Also, it was demonstrated that drug-spiked latent fingermarks pre-dusted with regular fingerprint powder and lifted using conventional lifting tape could be redeveloped with carbon black doped silica particles to enable MS interrogation via SALDI-MS.},\n\tjournal = {Analytical Methods},\n\tauthor = {Lim, Angelina Yimei and Rowell, F J and Elumbaring-Salazar, Cheryl Grace and Loke, Jason and Ma, Jan},\n\tyear = {2013},\n\tpages = {4378--4385},\n}\n\n\n\n
\n
\n\n\n
\n The ability of two mass spectrometric methods, surface assisted laser desorption ionization mass spectrometry (SALDI-MS) and direct analysis in real time mass spectrometry (DART-MS), to detect the presence of 5 drugs in latent fingermarks has been examined. It was found that each drug could be detected with good sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-MS. In contrast, for latent marks lifted from 3 surfaces (ceramic tile, wood laminate and backing of adhesive tape), no drug could be detected in dusted marks on the surface of a commercial lifting tape by DART-MS due to high background interference from the tape material, whereas all the drugs could be detected by SALDI-MS on equivalent marks. Also, it was demonstrated that drug-spiked latent fingermarks pre-dusted with regular fingerprint powder and lifted using conventional lifting tape could be redeveloped with carbon black doped silica particles to enable MS interrogation via SALDI-MS.\n
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\n \n\n \n \n \n \n \n \n Characterizations of the Extracts from Geting Bituminous Coal by Spectrometries.\n \n \n \n \n\n\n \n Shi, D.; Wei, X.; Fan, X.; Zong, Z.; Chen, B.; Zhao, Y.; Wang, Y.; and Cao, J.\n\n\n \n\n\n\n Energy & Fuels, 27(7): 3709–3717. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{shi_characterizations_2013,\n\ttitle = {Characterizations of the {Extracts} from {Geting} {Bituminous} {Coal} by {Spectrometries}},\n\tvolume = {27},\n\tissn = {0887-0624},\n\turl = {http://dx.doi.org/10.1021/ef4004686},\n\tdoi = {10.1021/ef4004686},\n\tabstract = {Geting bituminous coal (GBC) was sequentially extracted with petroleum ether, carbon disulfide (CDS), methanol, acetone, and isometric CDS/acetone mixed solvent at room temperature to afford extracts 1-5 (E1-E5) and residue, respectively. Detailed characterizations of the extracts were performed with a gas chromatography/mass spectrometer (GC/MS), Fourier transform infrared (FTIR) spectrometer, and direct analysis in real time ionization source (DARTIS) coupled to an ion trap mass spectrometer (ITMS). GBC and its residue were also analyzed with the FTIR spectrometer. Particle sizes of the residue were significantly reduced compared with those of GBC according to the observation with scanning electron microscope. Arenes with 1-4 rings and more condensed arenes were enriched into E1 and E2, respectively, while more heteroatom-containing organic species were detected in other extracts, especially in E3 and E4 according to GC/MS analysis. The extracts, especially E1-E4, contain more aliphatic moieties and less aromatic moieties compared to GBC and its residue based on FTIR analysis. DARTIS/ITMS proved to be a powerful tool for analyzing thermally labile and/or involatile species, which are difficult to be identified with GC/MS, in the extracts. The GC-MS gave identification of relative small molecules demonstrating the enrichment of alkanes and 1-3 rings aromatics in E1, 4-6 rings aromatics in E2, organooxygen compounds in E3, phthalates and alkoxycarbonyl benzoic acids in E4. FT-IR analysis showed the functional groups in all extracts were mostly consistent with the GC-MS analysis. It supplied characterization and distribution of large molecules, which was beyond the detection range of GC-MS. DART-MS and corresponding tandem mass spectrometry program (DART-MS-MS) afforded the structural information about a wide variety of homologues (with the same core but different number of CH2) in extracts, which matched well with FT-IR result. Furthermore, the DART-MS-MS also elucidated the identification of alkoxycarbonyl benzoic acids series and et al, which was in good agreement with GC-MS result. These work confirmed that the DART-MS, as a novel and cutting-edge technology, is a desirable and reliable technology in coal chemistry. In this paper, combined with sophisticate GC-MS and FT-IR, DART-MS offered us detailed characteristics of GBC extract on molecule-level.},\n\tnumber = {7},\n\turldate = {2013-06-25},\n\tjournal = {Energy \\& Fuels},\n\tauthor = {Shi, Da-Ling and Wei, Xian-Yong and Fan, Xing and Zong, Zhi-Min and Chen, Bo and Zhao, Yun-Peng and Wang, Yu-Gao and Cao, Jing-Pei},\n\tmonth = jun,\n\tyear = {2013},\n\tpages = {3709--3717},\n}\n\n\n\n
\n
\n\n\n
\n Geting bituminous coal (GBC) was sequentially extracted with petroleum ether, carbon disulfide (CDS), methanol, acetone, and isometric CDS/acetone mixed solvent at room temperature to afford extracts 1-5 (E1-E5) and residue, respectively. Detailed characterizations of the extracts were performed with a gas chromatography/mass spectrometer (GC/MS), Fourier transform infrared (FTIR) spectrometer, and direct analysis in real time ionization source (DARTIS) coupled to an ion trap mass spectrometer (ITMS). GBC and its residue were also analyzed with the FTIR spectrometer. Particle sizes of the residue were significantly reduced compared with those of GBC according to the observation with scanning electron microscope. Arenes with 1-4 rings and more condensed arenes were enriched into E1 and E2, respectively, while more heteroatom-containing organic species were detected in other extracts, especially in E3 and E4 according to GC/MS analysis. The extracts, especially E1-E4, contain more aliphatic moieties and less aromatic moieties compared to GBC and its residue based on FTIR analysis. DARTIS/ITMS proved to be a powerful tool for analyzing thermally labile and/or involatile species, which are difficult to be identified with GC/MS, in the extracts. The GC-MS gave identification of relative small molecules demonstrating the enrichment of alkanes and 1-3 rings aromatics in E1, 4-6 rings aromatics in E2, organooxygen compounds in E3, phthalates and alkoxycarbonyl benzoic acids in E4. FT-IR analysis showed the functional groups in all extracts were mostly consistent with the GC-MS analysis. It supplied characterization and distribution of large molecules, which was beyond the detection range of GC-MS. DART-MS and corresponding tandem mass spectrometry program (DART-MS-MS) afforded the structural information about a wide variety of homologues (with the same core but different number of CH2) in extracts, which matched well with FT-IR result. Furthermore, the DART-MS-MS also elucidated the identification of alkoxycarbonyl benzoic acids series and et al, which was in good agreement with GC-MS result. These work confirmed that the DART-MS, as a novel and cutting-edge technology, is a desirable and reliable technology in coal chemistry. In this paper, combined with sophisticate GC-MS and FT-IR, DART-MS offered us detailed characteristics of GBC extract on molecule-level.\n
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\n \n\n \n \n \n \n \n \n High-throughput differentiation of heparin from other glycosaminoglycans by pyrolysis mass spectrometry.\n \n \n \n \n\n\n \n Nemes, P.; Hoover, W. J; and Keire, D. A.\n\n\n \n\n\n\n Analytical Chemistry, 85(15): 7405–7412. July 2013.\n \n\n\n\n
\n\n\n\n \n \n \"High-throughputPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{nemes_high-throughput_2013,\n\ttitle = {High-throughput differentiation of heparin from other glycosaminoglycans by pyrolysis mass spectrometry},\n\tvolume = {85},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac401318q},\n\tdoi = {10.1021/ac401318q},\n\tabstract = {Sensors with high chemical specificity and enhanced sample throughput are vital to screening food products and medical devices for chemical or biochemical contaminants that may pose a significant threat to public health. For example, the rapid detection of oversulfated chondroitin sulfate (OSCS) in heparin could prevent reoccurrence of this adulterant that caused hundreds of severe adverse events including deaths worldwide in 2007?2008. Here, rapid pyrolysis is integrated with direct analysis in real time (DART) mass spectrometry to rapidly screen major glycosaminoglycans, including: heparin, chondroitin sulfate A, dermatan sulfate, and OSCS. The results demonstrate that, compared to traditional liquid chromatography-based analyses, pyrolysis mass spectrometry achieved at least 250-fold higher sample throughput and was compatible with samples volume-limited to about 300 nL. Pyrolysis yielded an abundance of fragment ions (e.g., 150 different m/z species), many of which were specific to the parent compound. Using multivariate and statistical data analysis models, these data enabled facile differentiation of the glycosaminoglycans with high throughput. After method development was completed, authentically contaminated samples obtained during the heparin crisis by the FDA were analyzed in a blinded manner for OSCS contamination. The lower limit of differentiation and detection were 0.1\\% (w/w) OSCS in heparin and 100 ng/µL (20 ng) OSCS in water, respectively. For quantitative purposes the linear dynamic range spanned approximately three orders of magnitude. Moreover, this chemical readout was successfully employed to find clues in the manufacturing history of the heparin samples that can be used for surveillance purposes. The presented technology and data analysis protocols are anticipated to be readily adaptable to other chemical and biochemical agents and volume-limited samples.},\n\tnumber = {15},\n\turldate = {2013-07-16},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nemes, Peter and Hoover, William J and Keire, David A.},\n\tmonth = jul,\n\tyear = {2013},\n\tpages = {7405--7412},\n}\n\n\n\n
\n
\n\n\n
\n Sensors with high chemical specificity and enhanced sample throughput are vital to screening food products and medical devices for chemical or biochemical contaminants that may pose a significant threat to public health. For example, the rapid detection of oversulfated chondroitin sulfate (OSCS) in heparin could prevent reoccurrence of this adulterant that caused hundreds of severe adverse events including deaths worldwide in 2007?2008. Here, rapid pyrolysis is integrated with direct analysis in real time (DART) mass spectrometry to rapidly screen major glycosaminoglycans, including: heparin, chondroitin sulfate A, dermatan sulfate, and OSCS. The results demonstrate that, compared to traditional liquid chromatography-based analyses, pyrolysis mass spectrometry achieved at least 250-fold higher sample throughput and was compatible with samples volume-limited to about 300 nL. Pyrolysis yielded an abundance of fragment ions (e.g., 150 different m/z species), many of which were specific to the parent compound. Using multivariate and statistical data analysis models, these data enabled facile differentiation of the glycosaminoglycans with high throughput. After method development was completed, authentically contaminated samples obtained during the heparin crisis by the FDA were analyzed in a blinded manner for OSCS contamination. The lower limit of differentiation and detection were 0.1% (w/w) OSCS in heparin and 100 ng/µL (20 ng) OSCS in water, respectively. For quantitative purposes the linear dynamic range spanned approximately three orders of magnitude. Moreover, this chemical readout was successfully employed to find clues in the manufacturing history of the heparin samples that can be used for surveillance purposes. The presented technology and data analysis protocols are anticipated to be readily adaptable to other chemical and biochemical agents and volume-limited samples.\n
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\n \n\n \n \n \n \n \n What Is the Opposite of Pandora’s Box? Direct Analysis, Ambient Ionization, and a New Generation of Atmospheric Pressure Ion Sources.\n \n \n \n\n\n \n Cody, R. B.\n\n\n \n\n\n\n Mass Spectrometry, 2(Special_Issue): S0007–S0007. 2013.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cody_what_2013,\n\ttitle = {What {Is} the {Opposite} of {Pandora}’s {Box}? {Direct} {Analysis}, {Ambient} {Ionization}, and a {New} {Generation} of {Atmospheric} {Pressure} {Ion} {Sources}},\n\tvolume = {2},\n\tdoi = {http://dx.doi.org/10.5702/massspectrometry.S0007},\n\tabstract = {The introduction of DART and DESI sources approximately seven years ago led to the development of a new series of atmospheric pressure ion sources referred to as “ambient ionization” sources. These fall into two major categories: spray techniques like DESI or plasma techniques like DART. The selectivity of “direct ionization,” meaning analysis without chromatography and with little or no sample preparation, depends on the mass spectrometer selectivity. Although high resolution and tandem mass spectrometry are valuable tools, rapid and simple sample preparation methods can improve the utility of ambient ionization methods. The concept of ambient ionization has led to the realization that there are many more ways to form ions than might be expected. An interesting example is the use of a flint-and-steel spark source to generate ions from compounds such as phenolphthalein and Gramicidin S.},\n\tnumber = {Special\\_Issue},\n\tjournal = {Mass Spectrometry},\n\tauthor = {Cody, Robert B.},\n\tyear = {2013},\n\tpages = {S0007--S0007},\n}\n\n\n\n
\n
\n\n\n
\n The introduction of DART and DESI sources approximately seven years ago led to the development of a new series of atmospheric pressure ion sources referred to as “ambient ionization” sources. These fall into two major categories: spray techniques like DESI or plasma techniques like DART. The selectivity of “direct ionization,” meaning analysis without chromatography and with little or no sample preparation, depends on the mass spectrometer selectivity. Although high resolution and tandem mass spectrometry are valuable tools, rapid and simple sample preparation methods can improve the utility of ambient ionization methods. The concept of ambient ionization has led to the realization that there are many more ways to form ions than might be expected. An interesting example is the use of a flint-and-steel spark source to generate ions from compounds such as phenolphthalein and Gramicidin S.\n
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\n \n\n \n \n \n \n \n \n DIRECT ANALYSIS IN REAL TIME/TIME-OF-FLIGHT MASS SPECTROMETRY: INVESTIGATIONS ON PARAMETERS FOR THE COUPLING WITH LIQUID-PHASE SAMPLE INTRODUCTION TECHNIQUES.\n \n \n \n \n\n\n \n Hintersteiner, I.; Hertsens, R.; and Klampfl, C. W.\n\n\n \n\n\n\n Journal of Liquid Chromatography & Related Technologies, 37(13): 1862–1872. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DIRECTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{hintersteiner_direct_2013,\n\ttitle = {{DIRECT} {ANALYSIS} {IN} {REAL} {TIME}/{TIME}-{OF}-{FLIGHT} {MASS} {SPECTROMETRY}: {INVESTIGATIONS} {ON} {PARAMETERS} {FOR} {THE} {COUPLING} {WITH} {LIQUID}-{PHASE} {SAMPLE} {INTRODUCTION} {TECHNIQUES}},\n\tvolume = {37},\n\tissn = {1082-6076},\n\turl = {http://dx.doi.org/10.1080/10826076.2013.825846},\n\tdoi = {10.1080/10826076.2013.825846},\n\tabstract = {? Studies for the evaluation of a lab made liquid jet interface designed for the coupling of direct analysis in real time (DART) time-of-flight mass spectrometry (TOF-MS) with liquid-phase sample introduction systems such as flow injection analysis (FIA) or high performance liquid chromatography (HPLC) have been performed. Thereby a substantial influence of parameters like surface/volume ratio (determined by the inner diameter of the capillary employed) of the liquid jet as well as the composition of the eluent (with respect to the concentration of electrolyte and organic solvent) on signal intensities could be detected. Comparison of the developed interface with other more common interface types (based on electrospray ionization, atmospheric pressure chemical ionization, and atmospheric pressure photoionization) was carried out on the example of a test mixture containing four parabens spiked into biological fluid samples. DART ionization proved superior when employed in combination with FIA as it was less affected by matrix effects resulting in ionization suppression. On the other hand if at least partial separation of the matrix/analytes was performed by using short chromatographic columns, the other ionization techniques turned out to be the better choice primarily due to their increased sensitivity.},\n\tnumber = {13},\n\turldate = {2014-08-25},\n\tjournal = {Journal of Liquid Chromatography \\& Related Technologies},\n\tauthor = {Hintersteiner, Ingrid and Hertsens, Robert and Klampfl, Christian W.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {1862--1872},\n}\n\n\n\n
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\n ? Studies for the evaluation of a lab made liquid jet interface designed for the coupling of direct analysis in real time (DART) time-of-flight mass spectrometry (TOF-MS) with liquid-phase sample introduction systems such as flow injection analysis (FIA) or high performance liquid chromatography (HPLC) have been performed. Thereby a substantial influence of parameters like surface/volume ratio (determined by the inner diameter of the capillary employed) of the liquid jet as well as the composition of the eluent (with respect to the concentration of electrolyte and organic solvent) on signal intensities could be detected. Comparison of the developed interface with other more common interface types (based on electrospray ionization, atmospheric pressure chemical ionization, and atmospheric pressure photoionization) was carried out on the example of a test mixture containing four parabens spiked into biological fluid samples. DART ionization proved superior when employed in combination with FIA as it was less affected by matrix effects resulting in ionization suppression. On the other hand if at least partial separation of the matrix/analytes was performed by using short chromatographic columns, the other ionization techniques turned out to be the better choice primarily due to their increased sensitivity.\n
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\n \n\n \n \n \n \n \n \n Evaluation of the Oxidation of Rice Husks with Sodium Hypochlorite Using Gas Chromatography-Mass Spectrometry and Direct Analysis in Real Time-Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, S.; Fan, X.; Zheng, A.; Lu, Y.; Wei, X.; Zhao, Y.; Wang, R.; Dou, Y.; Wang, Y.; Wang, C.; Zhang, F.; Shen, Y.; Li, C.; Liu, Z.; and Liu, D.\n\n\n \n\n\n\n Analytical Letters, 47(1): 77–90. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_evaluation_2013,\n\ttitle = {Evaluation of the {Oxidation} of {Rice} {Husks} with {Sodium} {Hypochlorite} {Using} {Gas} {Chromatography}-{Mass} {Spectrometry} and {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry}},\n\tvolume = {47},\n\tissn = {0003-2719},\n\turl = {http://dx.doi.org/10.1080/00032719.2013.831425},\n\tdoi = {10.1080/00032719.2013.831425},\n\tabstract = {Rice husk powder was oxidized in aqueous sodium hypochlorite solution under mild conditions with different reaction times. Fourier transform infrared spectroscopy, gas chromatography-mass spectrometry (GC-MS), and direct analysis in real time-mass spectrometry (DART-MS) were used to analyze the oxidation products. Results showed that oxidation was a feasible way to depolymerize the macromolecules in the biomass and convert hydroxyl groups to carboxyl groups. In total, 113 organic compounds in oxidation products with molecular mass less than 500 Da were identified using GC-MS. As an ambient ionization technique, DART-MS was applied to the determination of biomass derivatives and revealed mass distribution and molecular structure information for the rice husk oxidation products.},\n\tnumber = {1},\n\turldate = {2014-08-25},\n\tjournal = {Analytical Letters},\n\tauthor = {Wang, Shou-Ze and Fan, Xing and Zheng, Ai-Li and Lu, Yao and Wei, Xian-Yong and Zhao, Yun-Peng and Wang, Rui-Yu and Dou, You-Quan and Wang, Ying-Hua and Wang, Chu-Fan and Zhang, Fan and Shen, Yong and Li, Chun-Yan and Liu, Zheng and Liu, De-Ying},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {77--90},\n}\n\n\n\n
\n
\n\n\n
\n Rice husk powder was oxidized in aqueous sodium hypochlorite solution under mild conditions with different reaction times. Fourier transform infrared spectroscopy, gas chromatography-mass spectrometry (GC-MS), and direct analysis in real time-mass spectrometry (DART-MS) were used to analyze the oxidation products. Results showed that oxidation was a feasible way to depolymerize the macromolecules in the biomass and convert hydroxyl groups to carboxyl groups. In total, 113 organic compounds in oxidation products with molecular mass less than 500 Da were identified using GC-MS. As an ambient ionization technique, DART-MS was applied to the determination of biomass derivatives and revealed mass distribution and molecular structure information for the rice husk oxidation products.\n
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\n \n\n \n \n \n \n \n \n Optimizing Accu Time-of-Flight/Direct Analysis in Real Time for Explosive Residue Analysis.\n \n \n \n \n\n\n \n Swider, J. R.\n\n\n \n\n\n\n Journal of Forensic Sciences, 58(6): 1601–1606. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{swider_optimizing_2013,\n\ttitle = {Optimizing {Accu} {Time}-of-{Flight}/{Direct} {Analysis} in {Real} {Time} for {Explosive} {Residue} {Analysis}},\n\tvolume = {58},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/1556-4029.12276},\n\tdoi = {10.1111/1556-4029.12276},\n\tabstract = {The use of a direct analysis in real time (DART) mass spectrometer (MS) instrument was optimized for 22 compounds of organic explosive residues to provide a guide for DART-MS users in rapid screening of explosive compounds. Samples were introduced as neat solutions and sequential dilutions to determine optimal instrument conditions and lowest concentration detectable. Most compounds were optimized to 250°C in the negative ion mode, and several compounds benefited from the addition of a chloride dopant from methylene chloride (amino-dinitrotoluenes, RDX, EGDN, and PETN). Few compounds were more sensitive in the positive ion mode (TEGDN, DEGDN, HNS, and DMNB). Mixtures of compounds were detected using clean room wipes, directly from their surfaces and from subsequent extractions. Compounds from the mixtures were also successfully detected in soil and from swipes of spiked surfaces. The instrument showed merit in detection of pg/μL solutions for most of the compounds and among the substrates tested.},\n\tnumber = {6},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Swider, Joseph R.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Explosives, Time-of-flight, forensic science, mass spectrometry, residue},\n\tpages = {1601--1606},\n}\n\n\n\n
\n
\n\n\n
\n The use of a direct analysis in real time (DART) mass spectrometer (MS) instrument was optimized for 22 compounds of organic explosive residues to provide a guide for DART-MS users in rapid screening of explosive compounds. Samples were introduced as neat solutions and sequential dilutions to determine optimal instrument conditions and lowest concentration detectable. Most compounds were optimized to 250°C in the negative ion mode, and several compounds benefited from the addition of a chloride dopant from methylene chloride (amino-dinitrotoluenes, RDX, EGDN, and PETN). Few compounds were more sensitive in the positive ion mode (TEGDN, DEGDN, HNS, and DMNB). Mixtures of compounds were detected using clean room wipes, directly from their surfaces and from subsequent extractions. Compounds from the mixtures were also successfully detected in soil and from swipes of spiked surfaces. The instrument showed merit in detection of pg/μL solutions for most of the compounds and among the substrates tested.\n
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\n \n\n \n \n \n \n \n \n Applications of Confined DART (Direct Analysis in Real Time) Ion Source for Online in vivo Analysis of Human Breath.\n \n \n \n \n\n\n \n Li, Y.\n\n\n \n\n\n\n Analytical Methods, 5: 6933–6940. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{li_applications_2013,\n\ttitle = {Applications of {Confined} {DART} ({Direct} {Analysis} in {Real} {Time}) {Ion} {Source} for {Online} in vivo {Analysis} of {Human} {Breath}},\n\tvolume = {5},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY41406J},\n\tdoi = {10.1039/C3AY41406J},\n\tabstract = {Human breath is composed of many volatile metabolites that can potentially provide information about a person's health status. A sensitive assay to identify these volatile organic compounds as biomarker is ideal and important for early detection of many diseases. However, the diagnosis through online breath analysis based on mass spectrometry is difficult due to the low concentration of pertinent compounds in breath. The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique, which can efficiently ionize gaseous, liquid and solid samples with high throughput. A major problem in analysis of gaseous samples is its poor detection sensitivity due to open-air sampling. Recently, the confined DART ion source (cDART) was developed, where the plasma generated by the atmospheric pressure glow discharge ionizes gas-phase molecules in a Tee-shaped flow tube instead of open air. It leads to significant increase of ionization efficiency of gaseous samples. In this study, the cDART source was modified and applied in online analysis of exhaled breath. The limit of detection of the improved cDART source was determined to be at the level of low ppb. The cDART source was used in the real-time monitoring of an oral anesthetic drug. The concentration variations of two active ingredients in exhaled breath, menthol and benzocaine, and their metabolites with time were obtained. The results show that the cDART ion source is a powerful analytical tool to provide high sensitivity and high throughput analysis for volatile organic compounds in human breath, and can find potential applications in clinical diagnosis and therapy.},\n\tjournal = {Analytical Methods},\n\tauthor = {Li, Yue},\n\tyear = {2013},\n\tpages = {6933--6940},\n}\n\n\n\n
\n
\n\n\n
\n Human breath is composed of many volatile metabolites that can potentially provide information about a person's health status. A sensitive assay to identify these volatile organic compounds as biomarker is ideal and important for early detection of many diseases. However, the diagnosis through online breath analysis based on mass spectrometry is difficult due to the low concentration of pertinent compounds in breath. The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique, which can efficiently ionize gaseous, liquid and solid samples with high throughput. A major problem in analysis of gaseous samples is its poor detection sensitivity due to open-air sampling. Recently, the confined DART ion source (cDART) was developed, where the plasma generated by the atmospheric pressure glow discharge ionizes gas-phase molecules in a Tee-shaped flow tube instead of open air. It leads to significant increase of ionization efficiency of gaseous samples. In this study, the cDART source was modified and applied in online analysis of exhaled breath. The limit of detection of the improved cDART source was determined to be at the level of low ppb. The cDART source was used in the real-time monitoring of an oral anesthetic drug. The concentration variations of two active ingredients in exhaled breath, menthol and benzocaine, and their metabolites with time were obtained. The results show that the cDART ion source is a powerful analytical tool to provide high sensitivity and high throughput analysis for volatile organic compounds in human breath, and can find potential applications in clinical diagnosis and therapy.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time ionization/quadrupole time-of-flight tandem mass spectrometry for rapid identification of iridoids glycosides and caffeoylquinic acids in Re Du Ning Injections.\n \n \n \n \n\n\n \n Li, Y.; Wang, Z.; Bi, Y.; Ding, G.; Sheng, L.; Brian, M.; Zhang, C.; Chen, J.; and Xiao, W.\n\n\n \n\n\n\n Analytical Methods, 5: 7081–7089. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{li_direct_2013,\n\ttitle = {Direct analysis in real time ionization/quadrupole time-of-flight tandem mass spectrometry for rapid identification of iridoids glycosides and caffeoylquinic acids in {Re} {Du} {Ning} {Injections}},\n\tvolume = {5},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C3AY41476K},\n\tdoi = {10.1039/C3AY41476K},\n\tabstract = {Here we report a rapid approach for qualitative analysis of iridoid glycosides and caffeoylquinic acids (CQAs) in Re Du Ning Injections using Direct Analysis in Real Time ionization source (DART) coupled to quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS). In this approach, DART/MS and DART MS/MS analysis in both negative and positive ion modes were performed to characterize two iridoid glycosides and six CQAs in reference solutions and Re Du Ning Injections. Fragmentation pathways of the two kinds of natural compounds were summarized. DART-MS tended to break down some labile bonds in di-CQAs, The di-CQAs yielded abundant fragment ions in the (-) mass scan spectra. Collision-induced dissociation techniques were used to fragment the precursor ions and the product ions. Moreover, differentiation of the isomers of CQAs was possible by using the relative peak abundance and characteristic ion species in MS/MS spectra. DART-MS was also employed to obtain a chemical fingerprint of Re Du Ning Injections for rapid qualitative analysis of this Chinese medicine preparation. DART/Q-TOF MS/MS has shown potential to be used as the real-time detection method for Re Du Ning Injections.},\n\tjournal = {Analytical Methods},\n\tauthor = {Li, Yan-Jing and Wang, Zhen-Zhong and Bi, Yu-An and Ding, Gang and Sheng, Long-Sheng and Brian, Musselman and Zhang, Chen-Feng and Chen, Jun and Xiao, Wei},\n\tyear = {2013},\n\tpages = {7081--7089},\n}\n\n\n\n
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\n Here we report a rapid approach for qualitative analysis of iridoid glycosides and caffeoylquinic acids (CQAs) in Re Du Ning Injections using Direct Analysis in Real Time ionization source (DART) coupled to quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS). In this approach, DART/MS and DART MS/MS analysis in both negative and positive ion modes were performed to characterize two iridoid glycosides and six CQAs in reference solutions and Re Du Ning Injections. Fragmentation pathways of the two kinds of natural compounds were summarized. DART-MS tended to break down some labile bonds in di-CQAs, The di-CQAs yielded abundant fragment ions in the (-) mass scan spectra. Collision-induced dissociation techniques were used to fragment the precursor ions and the product ions. Moreover, differentiation of the isomers of CQAs was possible by using the relative peak abundance and characteristic ion species in MS/MS spectra. DART-MS was also employed to obtain a chemical fingerprint of Re Du Ning Injections for rapid qualitative analysis of this Chinese medicine preparation. DART/Q-TOF MS/MS has shown potential to be used as the real-time detection method for Re Du Ning Injections.\n
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\n \n\n \n \n \n \n \n \n Development of a rapid screening method to determine primary aromatic amines in kitchen utensils using direct analysis in real time mass spectrometry (DART-MS).\n \n \n \n \n\n\n \n Paseiro-Cerrato, R.; Noonan, G.; and Begley, T.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 31(3): 537–545. November 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DevelopmentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{paseiro-cerrato_development_2013,\n\ttitle = {Development of a rapid screening method to determine primary aromatic amines in kitchen utensils using direct analysis in real time mass spectrometry ({DART}-{MS})},\n\tvolume = {31},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2013.867366},\n\tdoi = {10.1080/19440049.2013.867366},\n\tabstract = {Primary aromatic amines (PAAs) are a group of substances with undesirable health effects, that are used in a variety of commercial products. Several recent studies, using a number of screening and confirmatory methods, have reported the migration of PAAs from some kitchen utensils into acetic acid 3\\% (w/v). Many of these methods require significant sample preparation, therefore the aim of this work was to determine if direct analysis in real time mass spectrometry (DART-MS) could be utilised as a rapid screening tool for the determination of PAAs in kitchen utensils. DART-MS results from direct analysis of the utensil have been compared with results of PAA migration by ultra high performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) method. The UPLC-MS/MS method had excellent linearity, appropriate sensitivity (LOD ≤ 1.5 µg L?1; LOQ ≤ 4.5 µg L?1), repeatability from 2.4 to 13.2\\% and acceptable recoveries. DART-MS results were in good agreement with UPLC-MS/MS data, with 100\\% of non-compliant (PAA positive) samples successfully identified by DART-MS.},\n\tnumber = {3},\n\turldate = {2014-08-25},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Paseiro-Cerrato, R. and Noonan, G.O. and Begley, T.H.},\n\tmonth = nov,\n\tyear = {2013},\n\tpages = {537--545},\n}\n\n\n\n
\n
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\n Primary aromatic amines (PAAs) are a group of substances with undesirable health effects, that are used in a variety of commercial products. Several recent studies, using a number of screening and confirmatory methods, have reported the migration of PAAs from some kitchen utensils into acetic acid 3% (w/v). Many of these methods require significant sample preparation, therefore the aim of this work was to determine if direct analysis in real time mass spectrometry (DART-MS) could be utilised as a rapid screening tool for the determination of PAAs in kitchen utensils. DART-MS results from direct analysis of the utensil have been compared with results of PAA migration by ultra high performance liquid chromatography tandem mass spectrometry (UPLC-MS/MS) method. The UPLC-MS/MS method had excellent linearity, appropriate sensitivity (LOD ≤ 1.5 µg L?1; LOQ ≤ 4.5 µg L?1), repeatability from 2.4 to 13.2% and acceptable recoveries. DART-MS results were in good agreement with UPLC-MS/MS data, with 100% of non-compliant (PAA positive) samples successfully identified by DART-MS.\n
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\n \n\n \n \n \n \n \n \n Combined multivariate data analysis of high-performance thin-layer chromatography fingerprints and Direct Analysis in Real Time mass spectra for profiling of natural products like propolis.\n \n \n \n \n\n\n \n Morlock, G. E.; Ristivojevic, P.; and Chernetsova, E. S.\n\n\n \n\n\n\n Journal of Chromatography A, 1328: 104–112. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CombinedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{morlock_combined_2013,\n\ttitle = {Combined multivariate data analysis of high-performance thin-layer chromatography fingerprints and {Direct} {Analysis} in {Real} {Time} mass spectra for profiling of natural products like propolis},\n\tvolume = {1328},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967313019341},\n\tdoi = {10.1016/j.chroma.2013.12.053},\n\tabstract = {Abstract\nSophisticated statistical tools are required to extract the full analytical power from high-performance thin-layer chromatography (HPTLC). Especially, the combination of HPTLC fingerprints (image) with chemometrics is rarely used so far. Also, the newly developed, instantaneous Direct Analysis in Real Time mass spectrometry (DART-MS) method is perspective for sample characterization and differentiation by multivariate data analysis. This is a first novel study on the differentiation of natural products using a combination of fast fingerprint techniques, like HPTLC and DART-MS, for multivariate data analysis. The results obtained by the chemometric evaluation of HPTLC and DART-MS data provided complementary information. The complexity, expense, and analysis time were significantly reduced due to the use of statistical tools for evaluation of fingerprints. The approach allowed categorizing 91 propolis samples from Germany and other locations based on their phenolic compound profile. A high level of confidence was obtained when combining orthogonal approaches (HPTLC and DART-MS) for ultrafast sample characterization. HPTLC with selective post-chromatographic derivatization provided information on polarity, functional groups and spectral properties of marker compounds, while information on possible elemental formulae of principal components (phenolic markers) was obtained by DART-MS.},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Morlock, Gertrud E. and Ristivojevic, Petar and Chernetsova, Elena S.},\n\tyear = {2013},\n\tkeywords = {DART-MS, Fingerprint, High-performance thin-layer chromatography, Pattern recognition, Planar chromatography, Propolis},\n\tpages = {104--112},\n}\n\n\n\n
\n
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\n Abstract Sophisticated statistical tools are required to extract the full analytical power from high-performance thin-layer chromatography (HPTLC). Especially, the combination of HPTLC fingerprints (image) with chemometrics is rarely used so far. Also, the newly developed, instantaneous Direct Analysis in Real Time mass spectrometry (DART-MS) method is perspective for sample characterization and differentiation by multivariate data analysis. This is a first novel study on the differentiation of natural products using a combination of fast fingerprint techniques, like HPTLC and DART-MS, for multivariate data analysis. The results obtained by the chemometric evaluation of HPTLC and DART-MS data provided complementary information. The complexity, expense, and analysis time were significantly reduced due to the use of statistical tools for evaluation of fingerprints. The approach allowed categorizing 91 propolis samples from Germany and other locations based on their phenolic compound profile. A high level of confidence was obtained when combining orthogonal approaches (HPTLC and DART-MS) for ultrafast sample characterization. HPTLC with selective post-chromatographic derivatization provided information on polarity, functional groups and spectral properties of marker compounds, while information on possible elemental formulae of principal components (phenolic markers) was obtained by DART-MS.\n
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\n \n\n \n \n \n \n \n \n Application of mixture analysis to crude materials from natural resources (IV)[1(a-c)]: identification of Glycyrrhiza species by direct Analysis in real time mass spectrometry (II).\n \n \n \n \n\n\n \n Fukuda, E; Uesawa, Y; Baba, M; and Okada, Y\n\n\n \n\n\n\n Natural product communications, 8(12): 1721–1724. December 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{fukuda_application_2013,\n\ttitle = {Application of mixture analysis to crude materials from natural resources ({IV})[1(a-c)]: identification of {Glycyrrhiza} species by direct {Analysis} in real time mass spectrometry ({II}).},\n\tvolume = {8},\n\turl = {http://europepmc.org/abstract/MED/24555282},\n\tabstract = {In order to identify Glycyrrhiza species by chemical fingerprinting, the bark of the roots and stolons of Glycyrrhiza uralensis Fischer and G. glabra Linné were analyzed using DART (Direct Analysis in Real Time)-MS. The characteristic peaks of each species were determined statistically by volcano plot. This summarizes the relationship between the p-values of a statistical test and the magnitude of the difference in values of the samples in the groups. In this experiment, peaks that had a p value {\\textless}0.05 in the t test and Z2 absolute difference were defined as characteristic. As a result, characteristic peaks of G. uralensis were found at m/z 299, 315, 341, and 369. In contrast, characteristic peaks of G. glabra were found at m/z 323, 325, 337, 339, and 391. In conclusion, we found several characteristic peaks to distinguish G. uralensis and G. glabra by DART-MS using volcano plot. This method can be applied to identify the Glycyrrhiza species.},\n\tnumber = {12},\n\tjournal = {Natural product communications},\n\tauthor = {Fukuda, E and Uesawa, Y and Baba, M and Okada, Y},\n\tmonth = dec,\n\tyear = {2013},\n\tpages = {1721--1724},\n}\n\n\n\n
\n
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\n In order to identify Glycyrrhiza species by chemical fingerprinting, the bark of the roots and stolons of Glycyrrhiza uralensis Fischer and G. glabra Linné were analyzed using DART (Direct Analysis in Real Time)-MS. The characteristic peaks of each species were determined statistically by volcano plot. This summarizes the relationship between the p-values of a statistical test and the magnitude of the difference in values of the samples in the groups. In this experiment, peaks that had a p value \\textless0.05 in the t test and Z2 absolute difference were defined as characteristic. As a result, characteristic peaks of G. uralensis were found at m/z 299, 315, 341, and 369. In contrast, characteristic peaks of G. glabra were found at m/z 323, 325, 337, 339, and 391. In conclusion, we found several characteristic peaks to distinguish G. uralensis and G. glabra by DART-MS using volcano plot. This method can be applied to identify the Glycyrrhiza species.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Mass Spectrometry (DART-MS) Analysis of Skin Metabolome Changes in the Ultraviolet B-Induced Mice.\n \n \n \n \n\n\n \n Park, H. M.; Kim, H. J.; Jang, Y. P.; and Kim, S. Y.\n\n\n \n\n\n\n Biomolecules and Therapeutics, 21(6): 470–475. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{park_direct_2013,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) {Analysis} of {Skin} {Metabolome} {Changes} in the {Ultraviolet} {B}-{Induced} {Mice}},\n\tvolume = {21},\n\turl = {http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3879919/},\n\tabstract = {Ultraviolet (UV) radiation is a major environmental factor that leads to acute and chronic reactions in the human skin. UV exposure induces wrinkle formation, DNA damage, and generation of reactive oxygen species (ROS). Most mechanistic studies of skin physiology and pharmacology related with UV-irradiated skin have focused on proteins and their related gene expression or single- targeted small molecules. The present study identified and analyzed the alteration of skin metabolites following UVB irradiation and topical retinyl palmitate (RP, 5\\%) treatment in hairless mice using direct analysis in real time (DART) time-of-flight mass spectrometry (TOF-MS) with multivariate analysis. Under the negative ion mode, the DART ion source successfully ionized various fatty acids including palmitoleic and linolenic acid. From DART-TOF-MS fingerprints measured in positive mode, the prominent dehydrated ion peak (m/z: 369, M+H-H2O) of cholesterol was characterized in all three groups. In positive mode, the discrimination among three groups was much clearer than that in negative mode by using multivariate analysis of orthogonal partial-least squares-discriminant analysis (OPLS-DA). DART-TOF-MS can ionize various small organic molecules in living tissues and is an efficient alternative analytical tool for acquiring full chemical fingerprints from living tissues without requiring sample preparation. DART-MS measurement of skin tissue with multivariate analysis proved to be a powerful method to discriminate between experimental groups and to find biomarkers for various experiment models in skin dermatological research.},\n\tnumber = {6},\n\tjournal = {Biomolecules and Therapeutics},\n\tauthor = {Park, Hye Min and Kim, Hye Jin and Jang, Young Pyo and Kim, Sun Yeou},\n\tyear = {2013},\n\tpages = {470--475},\n}\n\n\n\n
\n
\n\n\n
\n Ultraviolet (UV) radiation is a major environmental factor that leads to acute and chronic reactions in the human skin. UV exposure induces wrinkle formation, DNA damage, and generation of reactive oxygen species (ROS). Most mechanistic studies of skin physiology and pharmacology related with UV-irradiated skin have focused on proteins and their related gene expression or single- targeted small molecules. The present study identified and analyzed the alteration of skin metabolites following UVB irradiation and topical retinyl palmitate (RP, 5%) treatment in hairless mice using direct analysis in real time (DART) time-of-flight mass spectrometry (TOF-MS) with multivariate analysis. Under the negative ion mode, the DART ion source successfully ionized various fatty acids including palmitoleic and linolenic acid. From DART-TOF-MS fingerprints measured in positive mode, the prominent dehydrated ion peak (m/z: 369, M+H-H2O) of cholesterol was characterized in all three groups. In positive mode, the discrimination among three groups was much clearer than that in negative mode by using multivariate analysis of orthogonal partial-least squares-discriminant analysis (OPLS-DA). DART-TOF-MS can ionize various small organic molecules in living tissues and is an efficient alternative analytical tool for acquiring full chemical fingerprints from living tissues without requiring sample preparation. DART-MS measurement of skin tissue with multivariate analysis proved to be a powerful method to discriminate between experimental groups and to find biomarkers for various experiment models in skin dermatological research.\n
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\n \n\n \n \n \n \n \n \n Electro-Thermal Vaporization Direct Analysis in Real Time-Mass Spectrometry for Water Contaminant Analysis during Space Missions.\n \n \n \n \n\n\n \n Dwivedi, P.; Gazda, D. B.; Keelor, J. D.; Limero, T. F.; Wallace, W. T.; Macatangay, A. V.; and Fernández, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 85(20): 9898–9906. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Electro-ThermalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{dwivedi_electro-thermal_2013,\n\ttitle = {Electro-{Thermal} {Vaporization} {Direct} {Analysis} in {Real} {Time}-{Mass} {Spectrometry} for {Water} {Contaminant} {Analysis} during {Space} {Missions}},\n\tvolume = {85},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac402365k},\n\tdoi = {10.1021/ac402365k},\n\tabstract = {The development of a direct analysis in real time-mass spectrometry (DART-MS) method and first prototype vaporizer for the detection of low molecular weight (?30?100 Da) contaminants representative of those detected in water samples from the International Space Station is reported. A temperature-programmable, electro-thermal vaporizer (ETV) was designed, constructed, and evaluated as a sampling interface for DART-MS. The ETV facilitates analysis of water samples with minimum user intervention while maximizing analytical sensitivity and sample throughput. The integrated DART-ETV-MS methodology was evaluated in both positive and negative ion modes to (1) determine experimental conditions suitable for coupling DART with ETV as a sample inlet and ionization platform for time-of-flight MS, (2) to identify analyte response ions, (3) to determine the detection limit and dynamic range for target analyte measurement, and (4) to determine the reproducibility of measurements made with the method when using manual sample introduction into the vaporizer. Nitrogen was used as the DART working gas, and the target analytes chosen for the study were ethyl acetate, acetone, acetaldehyde, ethanol, ethylene glycol, dimethylsilanediol, formaldehyde, isopropanol, methanol, methylethyl ketone, methylsulfone, propylene glycol, and trimethylsilanol.},\n\tnumber = {20},\n\turldate = {2013-11-25},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Dwivedi, Prabha and Gazda, Daniel B. and Keelor, Joel D. and Limero, Thomas F. and Wallace, William T. and Macatangay, Ariel V. and Fernández, Facundo M.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {9898--9906},\n}\n\n\n\n
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\n\n\n
\n The development of a direct analysis in real time-mass spectrometry (DART-MS) method and first prototype vaporizer for the detection of low molecular weight (?30?100 Da) contaminants representative of those detected in water samples from the International Space Station is reported. A temperature-programmable, electro-thermal vaporizer (ETV) was designed, constructed, and evaluated as a sampling interface for DART-MS. The ETV facilitates analysis of water samples with minimum user intervention while maximizing analytical sensitivity and sample throughput. The integrated DART-ETV-MS methodology was evaluated in both positive and negative ion modes to (1) determine experimental conditions suitable for coupling DART with ETV as a sample inlet and ionization platform for time-of-flight MS, (2) to identify analyte response ions, (3) to determine the detection limit and dynamic range for target analyte measurement, and (4) to determine the reproducibility of measurements made with the method when using manual sample introduction into the vaporizer. Nitrogen was used as the DART working gas, and the target analytes chosen for the study were ethyl acetate, acetone, acetaldehyde, ethanol, ethylene glycol, dimethylsilanediol, formaldehyde, isopropanol, methanol, methylethyl ketone, methylsulfone, propylene glycol, and trimethylsilanol.\n
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\n \n\n \n \n \n \n \n \n Sampler for Collection and Analysis of Low Vapor Pressure Chemical (LVPC) Particulates/Aerosols.\n \n \n \n \n\n\n \n Ewing, K. J.; Gibson, D.; Sanghera, J.; and Miklos, F.\n\n\n \n\n\n\n Analytical Chemistry, 85(20): 9508–9513. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"SamplerPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{ewing_sampler_2013,\n\ttitle = {Sampler for {Collection} and {Analysis} of {Low} {Vapor} {Pressure} {Chemical} ({LVPC}) {Particulates}/{Aerosols}},\n\tvolume = {85},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac401100r},\n\tdoi = {10.1021/ac401100r},\n\tabstract = {Detection of low vapor pressure chemicals (LVPCs) such as pesticides and other toxic/hazardous materials on various environmental surfaces as well as LVPC aerosols is a significant challenge for current vapor phase detectors. We describe a novel sampling device which utilizes stainless steel screens coated with a sticky polydimethylsiloxane coating for collecting LVPCs aerosolized off of a surface. Results are presented for the collection and detection of a pesticide simulant, dimethyl methylphosphonate sorbed onto silica gel (DMMP/SG), using direct analysis in real time-cylindrical ion trap mass spectrometry (DART-CITMS).},\n\tnumber = {20},\n\turldate = {2013-11-25},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Ewing, K. J. and Gibson, D. and Sanghera, J. and Miklos, F.},\n\tmonth = sep,\n\tyear = {2013},\n\tpages = {9508--9513},\n}\n\n\n\n
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\n Detection of low vapor pressure chemicals (LVPCs) such as pesticides and other toxic/hazardous materials on various environmental surfaces as well as LVPC aerosols is a significant challenge for current vapor phase detectors. We describe a novel sampling device which utilizes stainless steel screens coated with a sticky polydimethylsiloxane coating for collecting LVPCs aerosolized off of a surface. Results are presented for the collection and detection of a pesticide simulant, dimethyl methylphosphonate sorbed onto silica gel (DMMP/SG), using direct analysis in real time-cylindrical ion trap mass spectrometry (DART-CITMS).\n
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\n \n\n \n \n \n \n \n \n Rapid monitoring of heat-accelerated reactions in vegetable oils using direct analysis in real time ionization coupled with high resolution mass spectrometry.\n \n \n \n \n\n\n \n Vaclavik, L.; Belkova, B.; Reblova, Z.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Food Chemistry, 138(4): 2312–2320. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{vaclavik_rapid_2013,\n\ttitle = {Rapid monitoring of heat-accelerated reactions in vegetable oils using direct analysis in real time ionization coupled with high resolution mass spectrometry},\n\tvolume = {138},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814612019085},\n\tdoi = {10.1016/j.foodchem.2012.12.019},\n\tabstract = {Transmission-mode direct analysis in real time ionization coupled with high resolution mass spectrometry (TM-DART–HRMS) was used to monitor chemical changes in various vegetable oils (olive, rapeseed, soybean and sunflower oil) during their thermally-induced oxidation. This novel instrumental approach enabled rapid fingerprinting of examined samples and detection of numerous sample components, such as triacylglycerols (TAGs), phytosterols, free fatty acids (FFA), and their respective oxidation products. Mass spectra obtained from DART were processed with the use of principal component analysis (PCA) in order to assess the compositional differences between heated and non-heated samples. Good correlation was observed between the normalized intensities of the pre-selected ion corresponding to mono-oxidized TAG and ‘classic’ criterion represented by the levels of TAG polymers determined by high performance-size exclusion chromatography with refractometric detection (HP-SEC–RID).},\n\tnumber = {4},\n\tjournal = {Food Chemistry},\n\tauthor = {Vaclavik, Lukas and Belkova, Beverly and Reblova, Zuzana and Riddellova, Katerina and Hajslova, Jana},\n\tmonth = jun,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Heating, Oxidation, Vegetable oils, mass spectrometry},\n\tpages = {2312--2320},\n}\n\n\n\n
\n
\n\n\n
\n Transmission-mode direct analysis in real time ionization coupled with high resolution mass spectrometry (TM-DART–HRMS) was used to monitor chemical changes in various vegetable oils (olive, rapeseed, soybean and sunflower oil) during their thermally-induced oxidation. This novel instrumental approach enabled rapid fingerprinting of examined samples and detection of numerous sample components, such as triacylglycerols (TAGs), phytosterols, free fatty acids (FFA), and their respective oxidation products. Mass spectra obtained from DART were processed with the use of principal component analysis (PCA) in order to assess the compositional differences between heated and non-heated samples. Good correlation was observed between the normalized intensities of the pre-selected ion corresponding to mono-oxidized TAG and ‘classic’ criterion represented by the levels of TAG polymers determined by high performance-size exclusion chromatography with refractometric detection (HP-SEC–RID).\n
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\n \n\n \n \n \n \n \n \n Capabilities and limitations of direct analysis in real time orbitrap mass spectrometry and tandem mass spectrometry for the analysis of synthetic and natural polymers.\n \n \n \n \n\n\n \n Bridoux, M. C.; and Machuron-Mandard, X.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(18): 2057–2070. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"CapabilitiesPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bridoux_capabilities_2013,\n\ttitle = {Capabilities and limitations of direct analysis in real time orbitrap mass spectrometry and tandem mass spectrometry for the analysis of synthetic and natural polymers},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6664},\n\tdoi = {10.1002/rcm.6664},\n\tabstract = {RATIONALE\n\nDespite the widespread use of direct analysis in real time mass spectrometry (DART-MS), its capabilities in terms of accessible mass range and the types of polymers that can be analysed are not well known. The goal of this work was to evaluate the capabilities and limitations of this ionization technique combined with orbitrap mass spectrometry and tandem mass spectrometry, for the characterization (structural and polydispersity metrics) of various synthetic and natural polymers.\n\nMETHODS\n\nThe capabilities and limitations of DART-MS (and -MS2), using an orbitrap mass spectrometer, for polymer analysis were evaluated using various industrial synthetic polymers and biopolymers. Stainless steel mesh screens secured on a movable rail were used as the sampling surface, onto which 5 μL of various polymers dissolved in tetrahydrofuran were added. Assignment of spectral features and calculation of molecular weight and polydispersity metrics were performed using Polymerix™ software and the results were compared with those obtained by gel-permeation chromatography (GPC).\n\nRESULTS\n\nProtonated oligomers and ammonium adducts were instantaneously detected as the major ionisation products in positive ion mode. Only perfluoropolyethers (PFPEs) were ionised in negative mode and detected as [M]–. ions. Only singly charged molecular species were observed for all oligomers under study, allowing for a rapid determination of the molecular weight and polydispersity metrics of polymers. At elevated DART gas temperatures (400–500°C) the molecular weight and polydispersity metrics compared fairly well with those obtained by GPC, with polymers whose masses ranged from 200 g.mol–1 to 4000 g.mol–1.\n\nCONCLUSIONS\n\nDART-MS allowed the direct and rapid analysis (mass spectra and tandem mass spectra of all the polymers were acquired in seconds) based on the exact masses of their [M+H]+ and [M+NH4]+ ions (in the positive mode) or [M]–. ions (for polymers having a high sensitivity toward electron-capture ionisation such as PFPEs), as well as the exact masses of their product ions, for both synthetic and natural polymers under ambient conditions without any sample pre-treatment. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {18},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Bridoux, Maxime C. and Machuron-Mandard, Xavier},\n\tyear = {2013},\n\tpages = {2057--2070},\n}\n\n\n\n
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\n RATIONALE Despite the widespread use of direct analysis in real time mass spectrometry (DART-MS), its capabilities in terms of accessible mass range and the types of polymers that can be analysed are not well known. The goal of this work was to evaluate the capabilities and limitations of this ionization technique combined with orbitrap mass spectrometry and tandem mass spectrometry, for the characterization (structural and polydispersity metrics) of various synthetic and natural polymers. METHODS The capabilities and limitations of DART-MS (and -MS2), using an orbitrap mass spectrometer, for polymer analysis were evaluated using various industrial synthetic polymers and biopolymers. Stainless steel mesh screens secured on a movable rail were used as the sampling surface, onto which 5 μL of various polymers dissolved in tetrahydrofuran were added. Assignment of spectral features and calculation of molecular weight and polydispersity metrics were performed using Polymerix™ software and the results were compared with those obtained by gel-permeation chromatography (GPC). RESULTS Protonated oligomers and ammonium adducts were instantaneously detected as the major ionisation products in positive ion mode. Only perfluoropolyethers (PFPEs) were ionised in negative mode and detected as [M]–. ions. Only singly charged molecular species were observed for all oligomers under study, allowing for a rapid determination of the molecular weight and polydispersity metrics of polymers. At elevated DART gas temperatures (400–500°C) the molecular weight and polydispersity metrics compared fairly well with those obtained by GPC, with polymers whose masses ranged from 200 g.mol–1 to 4000 g.mol–1. CONCLUSIONS DART-MS allowed the direct and rapid analysis (mass spectra and tandem mass spectra of all the polymers were acquired in seconds) based on the exact masses of their [M+H]+ and [M+NH4]+ ions (in the positive mode) or [M]–. ions (for polymers having a high sensitivity toward electron-capture ionisation such as PFPEs), as well as the exact masses of their product ions, for both synthetic and natural polymers under ambient conditions without any sample pre-treatment. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Screening for trace explosives by AccuTOF™-DART®: An in-depth validation study.\n \n \n \n \n\n\n \n Sisco, E.; Dake, J.; and Bridge, C.\n\n\n \n\n\n\n Forensic Science International, 232(1–3): 160–168. October 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ScreeningPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{sisco_screening_2013,\n\ttitle = {Screening for trace explosives by {AccuTOF}™-{DART}®: {An} in-depth validation study},\n\tvolume = {232},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813003551},\n\tdoi = {10.1016/j.forsciint.2013.07.006},\n\tabstract = {Abstract\nAmbient ionization mass spectrometry is finding increasing utility as a rapid analysis technique in a number of fields. In forensic science specifically, analysis of many types of samples, including drugs, explosives, inks, bank dye, and lotions, has been shown to be possible using these techniques [1]. This paper focuses on one type of ambient ionization mass spectrometry, Direct Analysis in Real Time Mass Spectrometry (DART-MS or DART), and its viability as a screening tool for trace explosives analysis. In order to assess viability, a validation study was completed which focused on the analysis of trace amounts of nitro and peroxide based explosives. Topics which were studied, and are discussed, include method optimization, reproducibility, sensitivity, development of a search library, discrimination of mixtures, and blind sampling. Advantages and disadvantages of this technique over other similar screening techniques are also discussed.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Sisco, Edward and Dake, Jeffrey and Bridge, Candice},\n\tmonth = oct,\n\tyear = {2013},\n\tkeywords = {Ambient ionization mass spectrometry, Gas chromatography mass spectrometry, Trace detection},\n\tpages = {160--168},\n}\n\n\n\n
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\n Abstract Ambient ionization mass spectrometry is finding increasing utility as a rapid analysis technique in a number of fields. In forensic science specifically, analysis of many types of samples, including drugs, explosives, inks, bank dye, and lotions, has been shown to be possible using these techniques [1]. This paper focuses on one type of ambient ionization mass spectrometry, Direct Analysis in Real Time Mass Spectrometry (DART-MS or DART), and its viability as a screening tool for trace explosives analysis. In order to assess viability, a validation study was completed which focused on the analysis of trace amounts of nitro and peroxide based explosives. Topics which were studied, and are discussed, include method optimization, reproducibility, sensitivity, development of a search library, discrimination of mixtures, and blind sampling. Advantages and disadvantages of this technique over other similar screening techniques are also discussed.\n
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\n \n\n \n \n \n \n \n \n Fragmentation Behavior Studies of Chalcones Employing Direct Analysis in Real Time (DART).\n \n \n \n \n\n\n \n Rahman, M.; Attwa, M.; Ahmad, P.; Baseeruddin, M.; and Kadi, A.\n\n\n \n\n\n\n Mass Spectrometry Letters, 4: 30–33. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"FragmentationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{rahman_fragmentation_2013,\n\ttitle = {Fragmentation {Behavior} {Studies} of {Chalcones} {Employing} {Direct} {Analysis} in {Real} {Time} ({DART})},\n\tvolume = {4},\n\turl = {http://www.msletters.org},\n\tabstract = {Chalcones are naturally occurring, biologically active molecules generating interest from a wide range of research\napplications including synthetic methodology development, biological activity investigation and studying fragmentation patterns. In\nthis article, a series of chalcones has been synthesized and their fragmentation behavior was studied using modern ambient ionization\ntechnique Direct Analysis in Real Time (DART). DART ion source connected with an ion trap mass spectrometer was\nused for the fragmentation of various substituted chalcones. The chalcones were introduced to the DART source using a glass\ncapillary without sample preparation step. All the chalcones showed prominent molecular ion peaks [M]•+ corresponding to the\nstructures. Multistage mass spectral data MSn (MS2 and MS3) were collected for all the chalcones studied. The chalcones with\nsubstitutions at 3, 4 or 5 positions gave product ion peaks with the loss of a phenyl radical (Ph•) by radical initiated α-cleavage,\nwhile substitution at 2 position of chalcone in the A-ring gave a product ion peak with the loss of substituted styryl radical\n(PhCH = CH•). In case of the chalcones with the substituent at 4 positions in A and B rings gave both types of fragmentation patterns.\nIn conclusion, chalcones can be easily characterized using modern DART interface in very short time and efficiently\nwithout any cumbersome sample pretreatment.},\n\tjournal = {Mass Spectrometry Letters},\n\tauthor = {Rahman, Motiur and Attwa, Mohamed and Ahmad, Pervez and Baseeruddin, Mohammad and Kadi, Adnan},\n\tyear = {2013},\n\tpages = {30--33},\n}\n\n\n\n
\n
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\n Chalcones are naturally occurring, biologically active molecules generating interest from a wide range of research applications including synthetic methodology development, biological activity investigation and studying fragmentation patterns. In this article, a series of chalcones has been synthesized and their fragmentation behavior was studied using modern ambient ionization technique Direct Analysis in Real Time (DART). DART ion source connected with an ion trap mass spectrometer was used for the fragmentation of various substituted chalcones. The chalcones were introduced to the DART source using a glass capillary without sample preparation step. All the chalcones showed prominent molecular ion peaks [M]•+ corresponding to the structures. Multistage mass spectral data MSn (MS2 and MS3) were collected for all the chalcones studied. The chalcones with substitutions at 3, 4 or 5 positions gave product ion peaks with the loss of a phenyl radical (Ph•) by radical initiated α-cleavage, while substitution at 2 position of chalcone in the A-ring gave a product ion peak with the loss of substituted styryl radical (PhCH = CH•). In case of the chalcones with the substituent at 4 positions in A and B rings gave both types of fragmentation patterns. In conclusion, chalcones can be easily characterized using modern DART interface in very short time and efficiently without any cumbersome sample pretreatment.\n
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\n \n\n \n \n \n \n \n \n Analysis of writing inks on paper using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Jones, R. W.; and McClelland, J. F.\n\n\n \n\n\n\n Forensic Science International, 231(1–3): 73–81. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{jones_analysis_2013,\n\ttitle = {Analysis of writing inks on paper using direct analysis in real time mass spectrometry},\n\tvolume = {231},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813002399},\n\tdoi = {10.1016/j.forsciint.2013.04.016},\n\tabstract = {Abstract \nInk analysis is central to questioned document examination. We applied direct analysis in real time mass spectrometry (DART MS) to ballpoint, gel, and fluid writing ink analysis. DART MS acquires the mass spectrum of an ink while it is still on a document without altering the appearance of the document. Spectra were acquired from ink on a variety of papers, and the spectrum of the blank paper could be subtracted out to produce a cleanly isolated ink spectrum in most cases. Only certain heavy or heavily processed papers interfered. The time since an ink is written on paper has a large effect on its spectrum. DART spectra change radically during the first few months after an ink is written as the more volatile components evaporate, but the spectra stabilize after that. A library-search study involving 166 well-aged inks assessed the ability to identify inks from their DART spectra. The aggregate success rate was 92\\%.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Jones, Roger W. and McClelland, John F.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Ink, Ink identification, forensic science, mass spectrometry, questioned documents},\n\tpages = {73--81},\n}\n\n\n\n
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\n Abstract Ink analysis is central to questioned document examination. We applied direct analysis in real time mass spectrometry (DART MS) to ballpoint, gel, and fluid writing ink analysis. DART MS acquires the mass spectrum of an ink while it is still on a document without altering the appearance of the document. Spectra were acquired from ink on a variety of papers, and the spectrum of the blank paper could be subtracted out to produce a cleanly isolated ink spectrum in most cases. Only certain heavy or heavily processed papers interfered. The time since an ink is written on paper has a large effect on its spectrum. DART spectra change radically during the first few months after an ink is written as the more volatile components evaporate, but the spectra stabilize after that. A library-search study involving 166 well-aged inks assessed the ability to identify inks from their DART spectra. The aggregate success rate was 92%.\n
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\n \n\n \n \n \n \n \n \n Trace analysis of energetic materials via direct analyte-probed nanoextraction coupled to direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Clemons, K.; Dake, J.; Sisco, E.; and Verbeck IV, G. F.\n\n\n \n\n\n\n Forensic Science International, 231(1–3): 98–101. September 2013.\n \n\n\n\n
\n\n\n\n \n \n \"TracePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{clemons_trace_2013,\n\ttitle = {Trace analysis of energetic materials via direct analyte-probed nanoextraction coupled to direct analysis in real time mass spectrometry},\n\tvolume = {231},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073813002454},\n\tdoi = {10.1016/j.forsciint.2013.04.022},\n\tabstract = {Abstract \nDirect analysis in real time mass spectrometry (DART-MS) has proven to be a useful forensic tool for the trace analysis of energetic materials. While other techniques for detecting trace amounts of explosives involve extraction, derivatization, solvent exchange, or sample clean-up, DART-MS requires none of these. Typical DART-MS analyses directly from a solid sample or from a swab have been quite successful; however, these methods may not always be an optimal sampling technique in a forensic setting. For example, if the sample were only located in an area which included a latent fingerprint of interest, direct DART-MS analysis or the use of a swab would almost certainly destroy the print. To avoid ruining such potentially invaluable evidence, another method has been developed which will leave the fingerprint virtually untouched. Direct analyte-probed nanoextraction coupled to nanospray ionization-mass spectrometry (DAPNe–NSI-MS) has demonstrated excellent sensitivity and repeatability in forensic analyses of trace amounts of illicit drugs from various types of surfaces. This technique employs a nanomanipulator in conjunction with bright-field microscopy to extract single particles from a surface of interest and has provided a limit of detection of 300 attograms for caffeine. Combining DAPNe with DART-MS provides another level of flexibility in forensic analysis, and has proven to be a sufficient detection method for trinitrotoluene (TNT), RDX, and 1-methylaminoanthraquinone (MAAQ).},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Clemons, Kristina and Dake, Jeffrey and Sisco, Edward and Verbeck IV, Guido F.},\n\tmonth = sep,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Direct analyte-probed nanoextraction, Explosives, Latent fingerprint, forensic science, mass spectrometry},\n\tpages = {98--101},\n}\n\n\n\n
\n
\n\n\n
\n Abstract Direct analysis in real time mass spectrometry (DART-MS) has proven to be a useful forensic tool for the trace analysis of energetic materials. While other techniques for detecting trace amounts of explosives involve extraction, derivatization, solvent exchange, or sample clean-up, DART-MS requires none of these. Typical DART-MS analyses directly from a solid sample or from a swab have been quite successful; however, these methods may not always be an optimal sampling technique in a forensic setting. For example, if the sample were only located in an area which included a latent fingerprint of interest, direct DART-MS analysis or the use of a swab would almost certainly destroy the print. To avoid ruining such potentially invaluable evidence, another method has been developed which will leave the fingerprint virtually untouched. Direct analyte-probed nanoextraction coupled to nanospray ionization-mass spectrometry (DAPNe–NSI-MS) has demonstrated excellent sensitivity and repeatability in forensic analyses of trace amounts of illicit drugs from various types of surfaces. This technique employs a nanomanipulator in conjunction with bright-field microscopy to extract single particles from a surface of interest and has provided a limit of detection of 300 attograms for caffeine. Combining DAPNe with DART-MS provides another level of flexibility in forensic analysis, and has proven to be a sufficient detection method for trinitrotoluene (TNT), RDX, and 1-methylaminoanthraquinone (MAAQ).\n
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\n \n\n \n \n \n \n \n \n Transmission mode direct analysis in real time mass spectrometry for fast untargeted metabolic fingerprinting.\n \n \n \n \n\n\n \n Jones, C. M.; and Fernández, F. M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(12): 1311–1318. June 2013.\n \n\n\n\n
\n\n\n\n \n \n \"TransmissionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jones_transmission_2013,\n\ttitle = {Transmission mode direct analysis in real time mass spectrometry for fast untargeted metabolic fingerprinting},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6566},\n\tdoi = {10.1002/rcm.6566},\n\tabstract = {RATIONALE \n \nUntargeted metabolic fingerprinting is a discovery tool to better understand biochemical processes involved in detecting and characterizing disease states and responses to environmental stressors. Although current mass spectrometric (MS) methods are very powerful, there is a clear need for more rapid, high-throughput MS approaches for metabolomics studies. \n \nMETHODS \n \nA rapid metabolic fingerprinting method for human blood sera that utilizes a new transmission mode direct analysis in real time (TM-DART) sampling technique coupled with quadrupole time of flight mass spectrometry (QTOFMS) is presented. In this approach, the sample is deposited directly on a stainless steel mesh that is held in the ionization region by a custom-built module. As a result, the DART plasma gas stream interacts with the sample in a flow-through fashion, which maximizes the interaction between the sample and ionizing species and minimizes variance in sample positioning. \n \nRESULTS \n \nThe optimization of TM-DART parameters directly affecting metabolite desorption and ionization, such as sample position and ionizing gas desorption temperature, was critical in achieving high sensitivity and detecting a broad mass range of metabolites. Ramping the ionizing gas desorption temperature further enhanced analysis by adding a simple separation dimension to this ambient approach. In terms of reproducibility, TM-DART compared favorably with traditional probe mode (PM-) DART analysis, with coefficients of variation as low as 16\\%. The longer-lasting TM-DART signals enabled the acquisition of metabolite full scan and product ion accurate mass spectra in a single experiment, resulting in greater confidence in metabolite identification. \n \nCONCLUSIONS \n \nTM-DART MS proved to be a powerful analytical technique for rapid metabolome analysis of human blood sera. Copyright © 2013 John Wiley \\& Sons, Ltd.},\n\tnumber = {12},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Jones, Christina M. and Fernández, Facundo M.},\n\tmonth = jun,\n\tyear = {2013},\n\tpages = {1311--1318},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Untargeted metabolic fingerprinting is a discovery tool to better understand biochemical processes involved in detecting and characterizing disease states and responses to environmental stressors. Although current mass spectrometric (MS) methods are very powerful, there is a clear need for more rapid, high-throughput MS approaches for metabolomics studies. METHODS A rapid metabolic fingerprinting method for human blood sera that utilizes a new transmission mode direct analysis in real time (TM-DART) sampling technique coupled with quadrupole time of flight mass spectrometry (QTOFMS) is presented. In this approach, the sample is deposited directly on a stainless steel mesh that is held in the ionization region by a custom-built module. As a result, the DART plasma gas stream interacts with the sample in a flow-through fashion, which maximizes the interaction between the sample and ionizing species and minimizes variance in sample positioning. RESULTS The optimization of TM-DART parameters directly affecting metabolite desorption and ionization, such as sample position and ionizing gas desorption temperature, was critical in achieving high sensitivity and detecting a broad mass range of metabolites. Ramping the ionizing gas desorption temperature further enhanced analysis by adding a simple separation dimension to this ambient approach. In terms of reproducibility, TM-DART compared favorably with traditional probe mode (PM-) DART analysis, with coefficients of variation as low as 16%. The longer-lasting TM-DART signals enabled the acquisition of metabolite full scan and product ion accurate mass spectra in a single experiment, resulting in greater confidence in metabolite identification. CONCLUSIONS TM-DART MS proved to be a powerful analytical technique for rapid metabolome analysis of human blood sera. Copyright © 2013 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Detection of Caffeine in Tea, Instant Coffee, Green Tea Beverage, and Soft Drink by Direct Analysis in Real Time (DART) Source Coupled to Single-Quadrupole Mass Spectrometry.\n \n \n \n \n\n\n \n Wang, L.; Zhao, P.; Zhang, F.; Bai, A.; and Pan, C.\n\n\n \n\n\n\n Journal of AOAC International, 96(2): 353–356. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_detection_2013,\n\ttitle = {Detection of {Caffeine} in {Tea}, {Instant} {Coffee}, {Green} {Tea} {Beverage}, and {Soft} {Drink} by {Direct} {Analysis} in {Real} {Time} ({DART}) {Source} {Coupled} to {Single}-{Quadrupole} {Mass} {Spectrometry}},\n\tvolume = {96},\n\turl = {http://www.ingentaconnect.com/content/aoac/jaoac/2013/00000096/00000002/art00021},\n\tdoi = {10.5740/jaoacint.12-160},\n\tabstract = {Ambient ionization direct analysis in real time (DART) coupled to single-quadrupole MS (DART-MS) was evaluated for rapid detection of caffeine in commercial samples without chromatographic separation or sample preparation. Four commercial samples were examined: tea, instant coffee, green tea beverage, and soft drink. The response-related parameters were optimized for the DART temperature and MS fragmentor. Under optimal conditions, the molecular ion (M+H)+ was the major ion for identification of caffeine. The results showed that DART-MS is a promising tool for the quick analysis of important marker molecules in commercial samples. Furthermore, this system has demonstrated significant potential for high sample throughput and real-time analysis.},\n\tnumber = {2},\n\tjournal = {Journal of AOAC International},\n\tauthor = {Wang, Lei and Zhao, Pengyue and Zhang, Fengzu and Bai, Aijuan and Pan, Canping},\n\tyear = {2013},\n\tpages = {353--356},\n}\n\n\n\n
\n
\n\n\n
\n Ambient ionization direct analysis in real time (DART) coupled to single-quadrupole MS (DART-MS) was evaluated for rapid detection of caffeine in commercial samples without chromatographic separation or sample preparation. Four commercial samples were examined: tea, instant coffee, green tea beverage, and soft drink. The response-related parameters were optimized for the DART temperature and MS fragmentor. Under optimal conditions, the molecular ion (M+H)+ was the major ion for identification of caffeine. The results showed that DART-MS is a promising tool for the quick analysis of important marker molecules in commercial samples. Furthermore, this system has demonstrated significant potential for high sample throughput and real-time analysis.\n
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\n \n\n \n \n \n \n \n \n Argon direct analysis in real time mass spectrometry in conjunction with makeup solvents: a method for analysis of labile compounds.\n \n \n \n \n\n\n \n Yang, H; Wan, D; Song, F; Liu, Z; and Liu, S\n\n\n \n\n\n\n Analytical chemistry, 85(3): 1305–1309. February 2013.\n \n\n\n\n
\n\n\n\n \n \n \"ArgonPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{yang_argon_2013,\n\ttitle = {Argon direct analysis in real time mass spectrometry in conjunction with makeup solvents: a method for analysis of labile compounds.},\n\tvolume = {85},\n\turl = {http://europepmc.org/abstract/MED/23252884},\n\tabstract = {Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with makeup solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a makeup solvent (absolute ethyl alcohol, methanol, fluorobenzene, or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.},\n\tnumber = {3},\n\tjournal = {Analytical chemistry},\n\tauthor = {Yang, H and Wan, D and Song, F and Liu, Z and Liu, S},\n\tmonth = feb,\n\tyear = {2013},\n\tpages = {1305--1309},\n}\n\n\n\n
\n
\n\n\n
\n Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with makeup solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a makeup solvent (absolute ethyl alcohol, methanol, fluorobenzene, or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time high-resolution mass spectrometry for high-throughput analysis of antiparasitic veterinary drugs in feed and food.\n \n \n \n \n\n\n \n Martínez-Villalba, A.; Vaclavik, L.; Moyano, E.; Galceran, M. T.; and Hajslova, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(3): 467–475. 2013.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{martinez-villalba_direct_2013,\n\ttitle = {Direct analysis in real time high-resolution mass spectrometry for high-throughput analysis of antiparasitic veterinary drugs in feed and food},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6466},\n\tdoi = {10.1002/rcm.6466},\n\tabstract = {RATIONALE \n \nDirect analysis in real time (DART) is a novel ionization technique that has been demonstrated in numerous applications as a useful tool for fast and convenient mass spectrometry (MS)-based analysis of complex samples. In this study, the feasibility of DART ionization coupled to a high-resolution mass spectrometer utilizing an orbitrap mass analyzer (orbitrap MS) for high-throughput analysis of antiparasitic veterinary drugs was explored. \n \nMETHODS \n \nTo obtain the best DART-orbitrap MS performance, stepwise optimization of instrumental parameter settings, such as ionization gas temperature and mass resolving power, was performed. The optimized method was applied to feed and bovine milk samples previously extracted following a QuEChERS-like strategy. \n \nRESULTS \n \nMost antiparasitic drugs could be analyzed following the described method. Positive DART ionization provided the protonated molecules [M+H]+; in negative DART ion mode, deprotonated molecules [M–H]– were observed. As an exception, polyether ionophores could be observed as the sodiated adducts [M+Na]+. Samples of milk and feed were extracted using a modified QuEChERS method for the determination of benzimidazoles and coccidiostats respectively and quantification was carried out by matrix-matched calibration curves. \n \nCONCLUSIONS \n \nThe combination of an analysis time of less than 1 min per sample and the possibility to acquire accurate masses under high mass resolving power (HR) makes the DART-HRMS technique an effective tool for rapid qualitative screening of antiparasitic veterinary drugs. Additionally, the results obtained in this study demonstrated the feasibility of this approach to quantify target analytes at levels down to 1 µg kg–1 for benzimidazolic compounds in milk and 0.25 mg kg–1 for coccidiostats in chicken feed. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Martínez-Villalba, Anna and Vaclavik, Lukas and Moyano, Encarnación and Galceran, Maria Teresa and Hajslova, Jana},\n\tyear = {2013},\n\tpages = {467--475},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Direct analysis in real time (DART) is a novel ionization technique that has been demonstrated in numerous applications as a useful tool for fast and convenient mass spectrometry (MS)-based analysis of complex samples. In this study, the feasibility of DART ionization coupled to a high-resolution mass spectrometer utilizing an orbitrap mass analyzer (orbitrap MS) for high-throughput analysis of antiparasitic veterinary drugs was explored. METHODS To obtain the best DART-orbitrap MS performance, stepwise optimization of instrumental parameter settings, such as ionization gas temperature and mass resolving power, was performed. The optimized method was applied to feed and bovine milk samples previously extracted following a QuEChERS-like strategy. RESULTS Most antiparasitic drugs could be analyzed following the described method. Positive DART ionization provided the protonated molecules [M+H]+; in negative DART ion mode, deprotonated molecules [M–H]– were observed. As an exception, polyether ionophores could be observed as the sodiated adducts [M+Na]+. Samples of milk and feed were extracted using a modified QuEChERS method for the determination of benzimidazoles and coccidiostats respectively and quantification was carried out by matrix-matched calibration curves. CONCLUSIONS The combination of an analysis time of less than 1 min per sample and the possibility to acquire accurate masses under high mass resolving power (HR) makes the DART-HRMS technique an effective tool for rapid qualitative screening of antiparasitic veterinary drugs. Additionally, the results obtained in this study demonstrated the feasibility of this approach to quantify target analytes at levels down to 1 µg kg–1 for benzimidazolic compounds in milk and 0.25 mg kg–1 for coccidiostats in chicken feed. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n A novel sampling method for identification of endogenous skin surface compounds by use of DART-MS and MALDI-MS.\n \n \n \n \n\n\n \n Mess, A.; Enthaler, B.; Fischer, M.; Rapp, C.; Pruns, J. K.; and Vietzke, J.\n\n\n \n\n\n\n Talanta, 103(0): 398–402. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{mess_novel_2013,\n\ttitle = {A novel sampling method for identification of endogenous skin surface compounds by use of {DART}-{MS} and {MALDI}-{MS}},\n\tvolume = {103},\n\tissn = {0039-9140},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0039914012009046},\n\tdoi = {10.1016/j.talanta.2012.10.073},\n\tabstract = {Identification of endogenous skin surface compounds is an intriguing challenge in comparative skin investigations. Notably, this short communication is focused on the analysis of small molecules, e.g. natural moisturizing factor (NMF) components and lipids, using a novel sampling method with DIP-it samplers for non-invasive examination of the human skin surface. As a result, extraction of analytes directly from the skin surface by use of various solvents can be replaced with the mentioned procedure. Screening of measureable compounds is achieved by direct analysis in real time mass spectrometry (DART-MS) without further sample preparation. Results are supplemented by dissolving analytes from the DIP-it samplers by use of different solvents, and subsequent matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) measurements. An interesting comparison of the mentioned MS techniques for determination of skin surface compounds in the mass range of 50–1000 Da is presented.},\n\tnumber = {0},\n\tjournal = {Talanta},\n\tauthor = {Mess, Aylin and Enthaler, Bernd and Fischer, Markus and Rapp, Claudius and Pruns, Julia K. and Vietzke, Jens-Peter},\n\tmonth = jan,\n\tyear = {2013},\n\tkeywords = {DART-MS, DIP-it samplers, MALDI-MS, Skin surface compounds},\n\tpages = {398--402},\n}\n\n\n\n
\n
\n\n\n
\n Identification of endogenous skin surface compounds is an intriguing challenge in comparative skin investigations. Notably, this short communication is focused on the analysis of small molecules, e.g. natural moisturizing factor (NMF) components and lipids, using a novel sampling method with DIP-it samplers for non-invasive examination of the human skin surface. As a result, extraction of analytes directly from the skin surface by use of various solvents can be replaced with the mentioned procedure. Screening of measureable compounds is achieved by direct analysis in real time mass spectrometry (DART-MS) without further sample preparation. Results are supplemented by dissolving analytes from the DIP-it samplers by use of different solvents, and subsequent matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) measurements. An interesting comparison of the mentioned MS techniques for determination of skin surface compounds in the mass range of 50–1000 Da is presented.\n
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\n \n\n \n \n \n \n \n \n Monitoring batch-to-batch reproducibility using direct analysis in real time mass spectrometry and multivariate analysis: A case study on precipitation.\n \n \n \n \n\n\n \n Zeng, S.; Chen, T.; Wang, L.; and Qu, H.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 76(0): 87–95. March 2013.\n \n\n\n\n
\n\n\n\n \n \n \"MonitoringPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zeng_monitoring_2013,\n\ttitle = {Monitoring batch-to-batch reproducibility using direct analysis in real time mass spectrometry and multivariate analysis: {A} case study on precipitation},\n\tvolume = {76},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708512006863},\n\tdoi = {10.1016/j.jpba.2012.12.014},\n\tabstract = {Batch-to-batch variability of traditional Chinese medicine (TCM) has already heavily limited its industrial development. By utilizing direct analysis in real time mass spectrometry (DART-MS) and multivariate statistical analysis, the present study introduced a novel and rapid methodology for TCM manufacturing process monitoring. Danshen alkaline precipitation was employed as an example operating unit to demonstrate the effectiveness of this new technique. A total of 15 batches run under normal operating conditions were used to develop a reference principal component analysis model and then enabled the establishment of multivariate control charts. Hotteling T2 and DModX charts were applied to examine batch-to-batch reproducibility of 12 test batches. Artificial variations including starting material change and process fault were identified, which was in a good agreement with conventional analysis result. Further understanding of the deviating process behavior was achieved by investigating the contribution plot of abnormal batches. The results showed that DART-MS, in conjunction with multivariate analysis, provided valuable information on model process and gave us a new perspective for TCM manufacturing process monitoring.},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Zeng, Shanshan and Chen, Teng and Wang, Lu and Qu, Haibin},\n\tmonth = mar,\n\tyear = {2013},\n\tkeywords = {Direct analysis in real time, Manufacturing process monitoring, Multivariate control charts, Traditional Chinese medicine, mass spectrometry},\n\tpages = {87--95},\n}\n\n\n\n
\n
\n\n\n
\n Batch-to-batch variability of traditional Chinese medicine (TCM) has already heavily limited its industrial development. By utilizing direct analysis in real time mass spectrometry (DART-MS) and multivariate statistical analysis, the present study introduced a novel and rapid methodology for TCM manufacturing process monitoring. Danshen alkaline precipitation was employed as an example operating unit to demonstrate the effectiveness of this new technique. A total of 15 batches run under normal operating conditions were used to develop a reference principal component analysis model and then enabled the establishment of multivariate control charts. Hotteling T2 and DModX charts were applied to examine batch-to-batch reproducibility of 12 test batches. Artificial variations including starting material change and process fault were identified, which was in a good agreement with conventional analysis result. Further understanding of the deviating process behavior was achieved by investigating the contribution plot of abnormal batches. The results showed that DART-MS, in conjunction with multivariate analysis, provided valuable information on model process and gave us a new perspective for TCM manufacturing process monitoring.\n
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\n \n\n \n \n \n \n \n \n Semi-quantitative analysis of contaminants in soils by direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 27(2): 305–318. January 2013.\n \n\n\n\n
\n\n\n\n \n \n \"Semi-quantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{grange_semi-quantitative_2013,\n\ttitle = {Semi-quantitative analysis of contaminants in soils by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {27},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6450},\n\tdoi = {10.1002/rcm.6450},\n\tabstract = {RATIONALE \n \nCleaning up contaminated sites is a goal of the U.S. Environmental Protection Agency (EPA). A simple, high-throughput, inexpensive, selective, and specific screening method for semi-volatile, polar organic contaminants would provide high spatial resolution for monitoring remediation and for documenting successful clean ups in numerous Superfund, Brownfield, and other contaminated sites. \n \nMETHODS \n \nAn autosampler/Direct Analysis in Real Time (DART)/time-of-flight (TOF) mass spectrometer, with or without a Vapur® evacuated flange, was used to analyze 0.01–33\\% levels of aspirin, diphenylamine, and pentachlorophenol mixed with soil. Triplicate water-soaked swabs were manually rotated in wet analyte:soil mixtures, air dried for 2–3 h, and analyzed directly. To minimize carryover, insensitive and sensitive instrumental conditions were used to analyze high and low analyte levels, respectively. Simulated two-dimensional (2D) mapping and remediation threshold experiments were performed to test the utility of DART-TOFMS for possible sampling strategies. \n \nRESULTS \n \nAnalyte levels differing by factors of 10 were discernible. Data were acquired for 30 swabs in 0.9 min and 3 min with helium stream temperatures of 150 °C and 250 °C and swab transport velocities of 1.45 cm/s and 0.5 cm/s, respectively. With the Vapur flange attached, the average relative standard deviations (RSDs) (n = 3) were between 16\\% and 40\\% for different analytes and analyte levels. Carryover was greatly reduced by removing the Vapur flange, but higher RSDs and occasional plugging of the cone orifice were observed. \n \nCONCLUSIONS \n \nA rapid, simple, rugged, and relatively inexpensive, but selective and sufficiently sensitive, semi-quantitative screening method for semi-volatile, polar, organic compounds in soil was demonstrated. The technique would provide the high spatial resolution necessary to find localized areas of high contamination within contaminated sites that might pose a risk to human and ecological health. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {2},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H.},\n\tmonth = jan,\n\tyear = {2013},\n\tpages = {305--318},\n}\n\n\n\n
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\n RATIONALE Cleaning up contaminated sites is a goal of the U.S. Environmental Protection Agency (EPA). A simple, high-throughput, inexpensive, selective, and specific screening method for semi-volatile, polar organic contaminants would provide high spatial resolution for monitoring remediation and for documenting successful clean ups in numerous Superfund, Brownfield, and other contaminated sites. METHODS An autosampler/Direct Analysis in Real Time (DART)/time-of-flight (TOF) mass spectrometer, with or without a Vapur® evacuated flange, was used to analyze 0.01–33% levels of aspirin, diphenylamine, and pentachlorophenol mixed with soil. Triplicate water-soaked swabs were manually rotated in wet analyte:soil mixtures, air dried for 2–3 h, and analyzed directly. To minimize carryover, insensitive and sensitive instrumental conditions were used to analyze high and low analyte levels, respectively. Simulated two-dimensional (2D) mapping and remediation threshold experiments were performed to test the utility of DART-TOFMS for possible sampling strategies. RESULTS Analyte levels differing by factors of 10 were discernible. Data were acquired for 30 swabs in 0.9 min and 3 min with helium stream temperatures of 150 °C and 250 °C and swab transport velocities of 1.45 cm/s and 0.5 cm/s, respectively. With the Vapur flange attached, the average relative standard deviations (RSDs) (n = 3) were between 16% and 40% for different analytes and analyte levels. Carryover was greatly reduced by removing the Vapur flange, but higher RSDs and occasional plugging of the cone orifice were observed. CONCLUSIONS A rapid, simple, rugged, and relatively inexpensive, but selective and sufficiently sensitive, semi-quantitative screening method for semi-volatile, polar, organic compounds in soil was demonstrated. The technique would provide the high spatial resolution necessary to find localized areas of high contamination within contaminated sites that might pose a risk to human and ecological health. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Ambient Ionization–Accurate Mass Spectrometry (AMI-AMS) for the Identification of Nonvisible Set-off in Food-Contact Materials.\n \n \n \n \n\n\n \n Bentayeb, K.; Ackerman, L. K.; and Begley, T. H.\n\n\n \n\n\n\n J. Agric. Food Chem., 60(8): 1914–1920. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{bentayeb_ambient_2012,\n\ttitle = {Ambient {Ionization}–{Accurate} {Mass} {Spectrometry} ({AMI}-{AMS}) for the {Identification} of {Nonvisible} {Set}-off in {Food}-{Contact} {Materials}},\n\tvolume = {60},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf204456z},\n\tdoi = {10.1021/jf204456z},\n\tabstract = {Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.\nSet-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.},\n\tnumber = {8},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Bentayeb, Karim and Ackerman, Luke K. and Begley, Timothy H.},\n\tyear = {2012},\n\tpages = {1914--1920},\n}\n\n\n\n
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\n Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging. Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.\n
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\n \n\n \n \n \n \n \n \n Rapid qualitative analysis of phthalates added to food and nutraceutical products by direct analysis in real time/orbitrap mass spectrometry.\n \n \n \n \n\n\n \n Self, R. L.; and Wu, W.\n\n\n \n\n\n\n Food Control, 25(1): 13–16. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{self_rapid_2012,\n\ttitle = {Rapid qualitative analysis of phthalates added to food and nutraceutical products by direct analysis in real time/orbitrap mass spectrometry},\n\tvolume = {25},\n\tissn = {0956-7135},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0956713511004178},\n\tdoi = {10.1016/j.foodcont.2011.10.013},\n\tabstract = {A recent food safety issue involves the contamination of a broad range of food and nutraceutical products from Taiwan with industrial plasticizers. Among the suspected contaminants are selected phthalic acid esters, such as benzyl butyl phthalate, dibutyl phthalate, diisobutyl phthalate, di-2-ethylhexyl phthalate, di-n-octyl phthalate, diisononyl phthalate, and diisodecyl phthalate. Described in this study is an analytical method to rapidly qualitatively analyze these compounds in a wide variety of food and nutraceutical matrices suspected in this crisis. The method utilizes direct analysis in real time (DART) ionization coupled to a Thermo Exactive orbitrap mass spectrometer. The method is shown to be capable of detecting these compounds at levels greater than 1.0 μg/mL in all food products examined and 0.5 μg/mL in most of the samples tested. In the nutraceutical samples tested, the compounds were detected at levels of 50 μg/g for all samples with some detected as low as 1.0 μg/g.},\n\tnumber = {1},\n\tjournal = {Food Control},\n\tauthor = {Self, Randy L. and Wu, Wen-Hsin},\n\tyear = {2012},\n\tkeywords = {Direct analysis in real time (DART), Food safety, Orbitrap, Phthalates, Phthalates; Direct analysis in real time (DART); Orbitrap; Food safety},\n\tpages = {13--16},\n}\n\n\n\n
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\n A recent food safety issue involves the contamination of a broad range of food and nutraceutical products from Taiwan with industrial plasticizers. Among the suspected contaminants are selected phthalic acid esters, such as benzyl butyl phthalate, dibutyl phthalate, diisobutyl phthalate, di-2-ethylhexyl phthalate, di-n-octyl phthalate, diisononyl phthalate, and diisodecyl phthalate. Described in this study is an analytical method to rapidly qualitatively analyze these compounds in a wide variety of food and nutraceutical matrices suspected in this crisis. The method utilizes direct analysis in real time (DART) ionization coupled to a Thermo Exactive orbitrap mass spectrometer. The method is shown to be capable of detecting these compounds at levels greater than 1.0 μg/mL in all food products examined and 0.5 μg/mL in most of the samples tested. In the nutraceutical samples tested, the compounds were detected at levels of 50 μg/g for all samples with some detected as low as 1.0 μg/g.\n
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\n \n\n \n \n \n \n \n \n Metabolomic fingerprinting employing DART-TOFMS for authentication of tomatoes and peppers from organic and conventional farming.\n \n \n \n \n\n\n \n Novotná, H.; Kmiecik, O.; Gałązka, M.; Krtková, V.; Hurajová, A.; Schulzová, V.; Hallmann, E.; Rembiałkowska, E.; and Hajšlová, J.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 29(9): 1335–1346. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"MetabolomicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{novotna_metabolomic_2012,\n\ttitle = {Metabolomic fingerprinting employing {DART}-{TOFMS} for authentication of tomatoes and peppers from organic and conventional farming},\n\tvolume = {29},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2012.690348},\n\tdoi = {10.1080/19440049.2012.690348},\n\tabstract = {The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5\\% for tomato and 100\\% for pepper samples and the prediction abilities were above 80\\% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.\nThe rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5\\% for tomato and 100\\% for pepper samples and the prediction abilities were above 80\\% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.},\n\tnumber = {9},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Novotná, H. and Kmiecik, O. and Gałązka, M. and Krtková, V. and Hurajová, A. and Schulzová, V. and Hallmann, E. and Rembiałkowska, E. and Hajšlová, J.},\n\tyear = {2012},\n\tpages = {1335--1346},\n}\n\n\n\n
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\n The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5% for tomato and 100% for pepper samples and the prediction abilities were above 80% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models. The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5% for tomato and 100% for pepper samples and the prediction abilities were above 80% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.\n
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\n \n\n \n \n \n \n \n \n Rapid analysis of caffeine in various coffee samples employing direct analysis in real-time ionization–high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Danhelova, H.; Hradecky, J.; Prinosilova, S.; Cajka, T.; Riddellova, K.; Vaclavik, L.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–7. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{danhelova_rapid_2012,\n\ttitle = {Rapid analysis of caffeine in various coffee samples employing direct analysis in real-time ionization–high-resolution mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5820-2},\n\tabstract = {The development and use of a fast method employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) for the quantitative analysis of caffeine in various coffee samples has been demonstrated in this study. A simple sample extraction procedure employing hot water was followed by direct, high-throughput (\\&lt;1 min per run) examination of the extracts spread on a glass rod under optimized conditions of ambient mass spectrometry, without any prior chromatographic separation. For quantification of caffeine using DART-TOFMS, an external calibration was used. Isotopically labeled caffeine was used to compensate for the variations of the ion intensities of caffeine signal. Recoveries of the DART-TOFMS method were 97\\% for instant coffee at the spiking levels of 20 and 60 mg/g, respectively, while for roasted ground coffee, the obtained values were 106\\% and 107\\% at the spiking levels of 10 and 30 mg/g, respectively. The repeatability of the whole analytical procedure (expressed as relative standard deviation, RSD, \\%) was \\&lt;5\\% for all tested spiking levels and matrices. Since the linearity range of the method was relatively narrow (two orders of magnitude), an optimization of sample dilution prior the DART-TOFMS measurement to avoid saturation of the detector was needed.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Danhelova, Hana and Hradecky, Jaromir and Prinosilova, Sarka and Cajka, Tomas and Riddellova, Katerina and Vaclavik, Lukas and Hajslova, Jana},\n\tyear = {2012},\n\tpages = {1--7},\n}\n\n\n\n
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\n The development and use of a fast method employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) for the quantitative analysis of caffeine in various coffee samples has been demonstrated in this study. A simple sample extraction procedure employing hot water was followed by direct, high-throughput (<1 min per run) examination of the extracts spread on a glass rod under optimized conditions of ambient mass spectrometry, without any prior chromatographic separation. For quantification of caffeine using DART-TOFMS, an external calibration was used. Isotopically labeled caffeine was used to compensate for the variations of the ion intensities of caffeine signal. Recoveries of the DART-TOFMS method were 97% for instant coffee at the spiking levels of 20 and 60 mg/g, respectively, while for roasted ground coffee, the obtained values were 106% and 107% at the spiking levels of 10 and 30 mg/g, respectively. The repeatability of the whole analytical procedure (expressed as relative standard deviation, RSD, %) was <5% for all tested spiking levels and matrices. Since the linearity range of the method was relatively narrow (two orders of magnitude), an optimization of sample dilution prior the DART-TOFMS measurement to avoid saturation of the detector was needed.\n
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\n \n\n \n \n \n \n \n \n Optimization of direct analysis in real time (DART) linear ion trap parameters for the detection and quantitation of glucose.\n \n \n \n \n\n\n \n Saang'onyo, D. S.; and Smith, D. L.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(3): 385–391. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{saangonyo_optimization_2012,\n\ttitle = {Optimization of direct analysis in real time ({DART}) linear ion trap parameters for the detection and quantitation of glucose},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5316},\n\tdoi = {10.1002/rcm.5316},\n\tabstract = {Presented here are findings for the development and optimization of a simple, high-throughput, and rapid method for the analysis of glucose. Because the applications of glucose and other six-carbon sugars is a growing field of interest especially in the production of biofuels, an efficient and rapid method for their quantitation from lignocelluloses is necessary. Glucose was analyzed using direct analysis in real time (DART) ionization and formed adducts (along with fragmentation) were observed with a linear ion trap (LIT) mass spectrometer. Since DART can be considered a complex thermal desorption ionization process, an optimization study of the helium gas temperature and introduction into the ionization region was performed. It was observed these parameters have a significant effect on the overall signal intensity as well as the signal-to-noise ratios in DART mass spectra. Using these optimized parameters, a set of different glucose concentrations (ranging from 10 to 3000 μM) were analyzed and used to determine a linear dynamic range (with the use of an internal standard). The analysis of the samples was done with minimal sample preparation and found to be reproducible on different days. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Saang'onyo, Daudi S. and Smith, Darrin L.},\n\tyear = {2012},\n\tkeywords = {Ion trap},\n\tpages = {385--391},\n}\n\n\n\n
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\n Presented here are findings for the development and optimization of a simple, high-throughput, and rapid method for the analysis of glucose. Because the applications of glucose and other six-carbon sugars is a growing field of interest especially in the production of biofuels, an efficient and rapid method for their quantitation from lignocelluloses is necessary. Glucose was analyzed using direct analysis in real time (DART) ionization and formed adducts (along with fragmentation) were observed with a linear ion trap (LIT) mass spectrometer. Since DART can be considered a complex thermal desorption ionization process, an optimization study of the helium gas temperature and introduction into the ionization region was performed. It was observed these parameters have a significant effect on the overall signal intensity as well as the signal-to-noise ratios in DART mass spectra. Using these optimized parameters, a set of different glucose concentrations (ranging from 10 to 3000 μM) were analyzed and used to determine a linear dynamic range (with the use of an internal standard). The analysis of the samples was done with minimal sample preparation and found to be reproducible on different days. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry combined with single-drop liquid–liquid–liquid microextraction for the rapid analysis of multiple phytohormones in fruit juice.\n \n \n \n \n\n\n \n Bai, Y.; Zhang, J.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–8. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{bai_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry combined with single-drop liquid–liquid–liquid microextraction for the rapid analysis of multiple phytohormones in fruit juice},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5728-x},\n\tdoi = {10.1007/s00216-012-5728-x},\n\tabstract = {A rapid, simple, and efficient method for the fast determination of multiple phytohormones was developed in this work, based on single-drop liquid–liquid–liquid microextraction (SD-LLLME) combined with direct analysis in real-time mass spectrometry (DART-MS). Six phytohormones—indole-3-acetic acid (IAA), indole-3-butyric acid (IBA), jasmonic acid (JA), salicylic acid (SA), abscisic acid (ABA), and gibberellin A 3 (GA 3 )—were analyzed simultaneously using this method, and the conditions employed for DART-MS and SD-LLLME were optimized systematically. Satisfactory results were obtained in terms of linearity ( R 2 values for all phytohormones were 0.991–0.996), sensitivity (limits of detection were 0.65–72 ng/mL), and repeatability (RSD values were 6.9–14\\%). In addition, the proposed method was applied to determine the endogenous phytohormones in three kinds of fruit juice. Different concentrations of phytohormones were detected with satisfactory recoveries, and the whole analytical procedure took no more than 30 min. Therefore, this combination of SD-LLLME and DART-MS was shown to be a suitable and effective approach for the fast analysis of targets present at trace level concentrations in complex matrices.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Bai, Yu and Zhang, Jialing and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {Chemistry and Materials Science},\n\tpages = {1--8},\n}\n\n\n\n
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\n A rapid, simple, and efficient method for the fast determination of multiple phytohormones was developed in this work, based on single-drop liquid–liquid–liquid microextraction (SD-LLLME) combined with direct analysis in real-time mass spectrometry (DART-MS). Six phytohormones—indole-3-acetic acid (IAA), indole-3-butyric acid (IBA), jasmonic acid (JA), salicylic acid (SA), abscisic acid (ABA), and gibberellin A 3 (GA 3 )—were analyzed simultaneously using this method, and the conditions employed for DART-MS and SD-LLLME were optimized systematically. Satisfactory results were obtained in terms of linearity ( R 2 values for all phytohormones were 0.991–0.996), sensitivity (limits of detection were 0.65–72 ng/mL), and repeatability (RSD values were 6.9–14%). In addition, the proposed method was applied to determine the endogenous phytohormones in three kinds of fruit juice. Different concentrations of phytohormones were detected with satisfactory recoveries, and the whole analytical procedure took no more than 30 min. Therefore, this combination of SD-LLLME and DART-MS was shown to be a suitable and effective approach for the fast analysis of targets present at trace level concentrations in complex matrices.\n
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\n \n\n \n \n \n \n \n \n The evaluation and implementation of direct analysis in real time quadrupole time-of-flight tandem mass spectrometry for characterization and quantification of geniposide in Re Du Ning Injections.\n \n \n \n \n\n\n \n Li, Y.; Wang, Z.; Bi, Y.; Ding, G.; Sheng, L.; Qin, J.; Xiao, W.; Li, J.; Wang, Y.; and Wang, X.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(11): 1377–1384. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_evaluation_2012,\n\ttitle = {The evaluation and implementation of direct analysis in real time quadrupole time-of-flight tandem mass spectrometry for characterization and quantification of geniposide in {Re} {Du} {Ning} {Injections}},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6235},\n\tdoi = {10.1002/rcm.6235},\n\tabstract = {RATIONALE\nThe Direct Analysis in Real Time (DART) ionization source coupled with a quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples from complex Chinese herbal preparations without sample cleanup or chromatographic separation. \nMETHODS\nIn this work, a method based on DART/Q-TOF MS/MS has been developed for rapid determination of geniposide present in 'Re Du Ning Injections', a Chinese herbal preparation. The method has been evaluated for both qualitative and quantitative analysis of geniposide in Re Du Ning Injections. \nRESULTS\nVariables including polarity for ion detection, DART gas heater temperature, matrix effect and sample presentation speed were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision and accuracy by using both internal and external standards. A comparison of the results obtained using the DART-based method was made with those obtained using a conventional High-Performance Liquid Chromatography/Diode-Array Detector (HPLC/DAD) by analyzing geniposide in four batches of Re Du Ning Injections. \nCONCLUSIONS\nThe DART/Q-TOF MS/MS-based method provides a rapid, efficient and powerful method to analyze compounds from complex Traditional Chinese Medicines with limited sample preparation thus reducing time and complexity of quality control for those materials. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {11},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Li, Yan-Jing and Wang, Zhen-Zhong and Bi, Yu-An and Ding, Gang and Sheng, Long-Sheng and Qin, Jian-Ping and Xiao, Wei and Li, Jia-Chun and Wang, Yong-Xiang and Wang, Xue},\n\tyear = {2012},\n\tpages = {1377--1384},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE The Direct Analysis in Real Time (DART) ionization source coupled with a quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples from complex Chinese herbal preparations without sample cleanup or chromatographic separation. METHODS In this work, a method based on DART/Q-TOF MS/MS has been developed for rapid determination of geniposide present in 'Re Du Ning Injections', a Chinese herbal preparation. The method has been evaluated for both qualitative and quantitative analysis of geniposide in Re Du Ning Injections. RESULTS Variables including polarity for ion detection, DART gas heater temperature, matrix effect and sample presentation speed were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision and accuracy by using both internal and external standards. A comparison of the results obtained using the DART-based method was made with those obtained using a conventional High-Performance Liquid Chromatography/Diode-Array Detector (HPLC/DAD) by analyzing geniposide in four batches of Re Du Ning Injections. CONCLUSIONS The DART/Q-TOF MS/MS-based method provides a rapid, efficient and powerful method to analyze compounds from complex Traditional Chinese Medicines with limited sample preparation thus reducing time and complexity of quality control for those materials. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Study of the distribution profile of piperidine alkaloids in various parts of Prosopis juliflora by the application of Direct Analysis in Real Time Mass Spectrometry (DART-MS).\n \n \n \n \n\n\n \n Singh, S.; and Verma, S.\n\n\n \n\n\n\n Natural Products and Bioprospecting,1–4. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"StudyPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{singh_study_2012,\n\ttitle = {Study of the distribution profile of piperidine alkaloids in various parts of {Prosopis} juliflora by the application of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS})},\n\turl = {http://dx.doi.org/10.1007/s13659-012-0069-1},\n\tabstract = {Direct Analysis in Real Time Mass Spectrometry (DART-MS) was applied to identify and study the distribution profile of piperidine alkaloids in different parts of Prosopis juliflora, without isolation and separation of the compounds by standard chromatographic techniques. With the help of DART-MS, chemical fingerprint of raw plant parts were generated, which revealed the presence of piperidine alkaloids in leaf, pod and flower. A comparative study of the distribution pattern, showed variation in the presence and distribution of these alkaloids in various parts of P. juliflora. The leaves and pod displayed the largest alkaloid pattern with a total of 12 different alkaloids in each part, whereas only 4 alkaloids were present in flower. Alkaloids: julifloridine, prosopine, prosopinine and prosafrinine were ubiquitously distributed in all the alkaloid rich plant parts. Juliprosopine was pre-eminet alkaloid in leaf, whereas pod and flower displayed copious amounts of julifloridine.},\n\tjournal = {Natural Products and Bioprospecting},\n\tauthor = {Singh, Shachi and Verma, SanjayKumar},\n\tyear = {2012},\n\tkeywords = {julifloridine},\n\tpages = {1--4},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Direct Analysis in Real Time Mass Spectrometry (DART-MS) was applied to identify and study the distribution profile of piperidine alkaloids in different parts of Prosopis juliflora, without isolation and separation of the compounds by standard chromatographic techniques. With the help of DART-MS, chemical fingerprint of raw plant parts were generated, which revealed the presence of piperidine alkaloids in leaf, pod and flower. A comparative study of the distribution pattern, showed variation in the presence and distribution of these alkaloids in various parts of P. juliflora. The leaves and pod displayed the largest alkaloid pattern with a total of 12 different alkaloids in each part, whereas only 4 alkaloids were present in flower. Alkaloids: julifloridine, prosopine, prosopinine and prosafrinine were ubiquitously distributed in all the alkaloid rich plant parts. Juliprosopine was pre-eminet alkaloid in leaf, whereas pod and flower displayed copious amounts of julifloridine.\n
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\n \n\n \n \n \n \n \n \n Identification, extraction and quantification of the synthetic cannabinoid JWH-018 from commercially available herbal marijuana alternatives.\n \n \n \n \n\n\n \n Dunham, S. J.; Hooker, P. D.; and Hyde, R. M.\n\n\n \n\n\n\n Forensic science international, 223(1): 241–244. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"Identification,Paper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{dunham_identification_2012,\n\ttitle = {Identification, extraction and quantification of the synthetic cannabinoid {JWH}-018 from commercially available herbal marijuana alternatives},\n\tvolume = {223},\n\tissn = {0379-0738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073812004471?showall=true},\n\tabstract = {In this work, methods for the rapid identification, extraction, and quantification of the synthetic cannabinoid, JWH-018, from commercially available “Spice” (a herbal marijuana alternative) are presented. JWH-018 was identified in three different products using time-of-flight (TOF) mass spectrometry coupled with a direct analysis in real time (DART) ionization source, a process that was completed in less then five minutes and required no sample preparation. Extraction of the JWH-018 from the spice samples using an automated accelerated solvent extraction (ASE) instrument provided clean extracts with few plant pigments. Subsequent quantification by isocratic HPLC produced the following results (mg JWH-018/g plant material): Weekend Warrior brand “Hash”: 90 (±3\\%)mg/g, Weekend Warrior brand “Leaf”: 29 (±6\\%)mg/g, TrainWreck Hayze brand: 28 (±4\\%)mg/g. Vegetative samples spiked with JWH-018 gave a recovery of 97\\% (±1\\%).},\n\tnumber = {1},\n\tjournal = {Forensic science international},\n\tauthor = {Dunham, Sage J.B. and Hooker, Paul D. and Hyde, Robyn M.},\n\tmonth = nov,\n\tyear = {2012},\n\tkeywords = {Accelerated solvent extraction, DART–mass spectrometry, Herbal marijuana alternative, JWH-018, Spice, Synthetic marijuana},\n\tpages = {241--244},\n}\n\n\n\n
\n
\n\n\n
\n In this work, methods for the rapid identification, extraction, and quantification of the synthetic cannabinoid, JWH-018, from commercially available “Spice” (a herbal marijuana alternative) are presented. JWH-018 was identified in three different products using time-of-flight (TOF) mass spectrometry coupled with a direct analysis in real time (DART) ionization source, a process that was completed in less then five minutes and required no sample preparation. Extraction of the JWH-018 from the spice samples using an automated accelerated solvent extraction (ASE) instrument provided clean extracts with few plant pigments. Subsequent quantification by isocratic HPLC produced the following results (mg JWH-018/g plant material): Weekend Warrior brand “Hash”: 90 (±3%)mg/g, Weekend Warrior brand “Leaf”: 29 (±6%)mg/g, TrainWreck Hayze brand: 28 (±4%)mg/g. Vegetative samples spiked with JWH-018 gave a recovery of 97% (±1%).\n
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\n \n\n \n \n \n \n \n \n Rapid detection of alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS/MS).\n \n \n \n \n\n\n \n Sun, L.; Hu, X.; Liu, L.; Jin, H.; and Lin, R.\n\n\n \n\n\n\n Zhongguo Zhong Yao Za Zhi, 37: 1426–30. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{sun_rapid_2012,\n\ttitle = {Rapid detection of alkaloids in {Ipecac} by direct analysis in real time tandem mass spectrometry ({DART}-{MS}/{MS})},\n\tvolume = {37},\n\turl = {http://www.ncbi.nlm.nih.gov/pubmed/22860455},\n\tabstract = {OBJECTIVE: To detect alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS) without pre-treatment and chromatographic separation. METHOD: Under the optimum conditions, DART-MS characteristic spectra were collected for tablet of Ipecac powder, Ipecac stems and leaves by full scanning,and secondary spectra were adopted for identifying alkaloids. The multiple reaction monitoring mode was adopted to determine the mass spectrum peak intensity of determinands on the surface of determined samples, in order to calculate their average content in samples. RESULT: Spectra of tablet of Ipecac powder and Ipecac stems showed remarkable ionized ion peaks of emetine and cephaeline at m/z 481 and 467, while spectra of leaves showed ionized ion peaks of other alkaloids at m/z 479 and 465. Furthermore, the quantitative analysis was also demonstrated with good reproducibility and linear relationship. CONCLUSION:  The mode can play a role in rapid determination of medicinal materials and prepared herbal medicines and real-time rapid quantitative analysis on intermediates and preparations.},\n\tlanguage = {Chinese},\n\tjournal = {Zhongguo Zhong Yao Za Zhi},\n\tauthor = {Sun, Lei and Hu, Xiaoru and Liu, Lina and Jin, Hongyu and Lin, Ruichao},\n\tyear = {2012},\n\tpages = {1426--30},\n}\n\n\n\n
\n
\n\n\n
\n OBJECTIVE: To detect alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS) without pre-treatment and chromatographic separation. METHOD: Under the optimum conditions, DART-MS characteristic spectra were collected for tablet of Ipecac powder, Ipecac stems and leaves by full scanning,and secondary spectra were adopted for identifying alkaloids. The multiple reaction monitoring mode was adopted to determine the mass spectrum peak intensity of determinands on the surface of determined samples, in order to calculate their average content in samples. RESULT: Spectra of tablet of Ipecac powder and Ipecac stems showed remarkable ionized ion peaks of emetine and cephaeline at m/z 481 and 467, while spectra of leaves showed ionized ion peaks of other alkaloids at m/z 479 and 465. Furthermore, the quantitative analysis was also demonstrated with good reproducibility and linear relationship. CONCLUSION: The mode can play a role in rapid determination of medicinal materials and prepared herbal medicines and real-time rapid quantitative analysis on intermediates and preparations.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry: rapid analysis of soft medicinal formulations.\n \n \n \n \n\n\n \n Abramovich, R.; and Revel’skii, I.\n\n\n \n\n\n\n Pharmaceutical Chemistry Journal, 45(11): 698–700. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{abramovich_dart_2012,\n\ttitle = {{DART} mass spectrometry: rapid analysis of soft medicinal formulations},\n\tvolume = {45},\n\tissn = {0091-150X},\n\turl = {http://dx.doi.org/10.1007/s11094-012-0705-4},\n\tabstract = {The possibility of using the DART mass spectrometry method for rapid analysis of soft medicinal formulations is considered. Studies of “tetracycline”, “Sintomycin Liniment”, and “Levomecol” creams and suppositories based on hard fat were studied. The possibility of using this method for the rapid screening of medicinal formulations in search of counterfeits is discussed. This is the first report of the analysis of suppositories using DART mass spectrometry.},\n\tnumber = {11},\n\tjournal = {Pharmaceutical Chemistry Journal},\n\tauthor = {Abramovich, R. and Revel’skii, I.},\n\tyear = {2012},\n\tpages = {698--700},\n}\n\n\n\n
\n
\n\n\n
\n The possibility of using the DART mass spectrometry method for rapid analysis of soft medicinal formulations is considered. Studies of “tetracycline”, “Sintomycin Liniment”, and “Levomecol” creams and suppositories based on hard fat were studied. The possibility of using this method for the rapid screening of medicinal formulations in search of counterfeits is discussed. This is the first report of the analysis of suppositories using DART mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Evaluating agarwood products for 2-(2-phenylethyl)chromones using direct analysis in real time time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Lancaster, C.; and Espinoza, E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(23): 2649–2656. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{lancaster_evaluating_2012,\n\ttitle = {Evaluating agarwood products for 2-(2-phenylethyl)chromones using direct analysis in real time time-of-flight mass spectrometry},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6388},\n\tdoi = {10.1002/rcm.6388},\n\tabstract = {RATIONALE \n \nAgarwood is the resinous material harvested from threatened Aquilaria species. We investigated how many protonated 2-(2-phenylethyl)chromone ions were sufficient to make an accurate identification of agarwood. Analysis of 125 reference samples was carried out by direct analysis in real time time-of-flight mass spectrometry (DART-TOFMS). The identification criteria developed were applied to commercial samples. \n \nMETHODS \n \nWe developed a technique that uses DART-TOFMS to detect 2-(2-phenylethyl)chromones. Additionally, we developed a set of criteria to infer the presence of Aquilaria in commercial samples of wood chips, sawdust, incense and liquids. Additionally, we examined other fragrant woods to determine if they contained a chemical profile that could be falsely identified as agarwood. \n \nRESULTS \n \nAnalysis of reference and commercial samples (n = 151) established that DART-TOFMS provides reproducible mass spectra that are useful for inferring the genus of suspected agarwood samples. We identified 17 ions which were useful for authenticating agarwood. Comparison of the number of chromone ions detected by direct analyses of dry wood chips versus eluent analysis of methanol-extracted wood showed that results were similar. Lastly, analysis of 25 scented woods of other species did not give false positive results. \n \nCONCLUSIONS \n \nReliable criteria for inferring agarwood include the presence of diagnostic ions, m/z 319.118 or 349.129, in addition to ten or more ions characteristic of 2-(2-phenylethyl)chromones. Wood anatomists challenged with difficult morphological identifications can use this tool to assist in their analyses. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {23},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Lancaster, Cady and Espinoza, Edgard},\n\tyear = {2012},\n\tpages = {2649--2656},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Agarwood is the resinous material harvested from threatened Aquilaria species. We investigated how many protonated 2-(2-phenylethyl)chromone ions were sufficient to make an accurate identification of agarwood. Analysis of 125 reference samples was carried out by direct analysis in real time time-of-flight mass spectrometry (DART-TOFMS). The identification criteria developed were applied to commercial samples. METHODS We developed a technique that uses DART-TOFMS to detect 2-(2-phenylethyl)chromones. Additionally, we developed a set of criteria to infer the presence of Aquilaria in commercial samples of wood chips, sawdust, incense and liquids. Additionally, we examined other fragrant woods to determine if they contained a chemical profile that could be falsely identified as agarwood. RESULTS Analysis of reference and commercial samples (n = 151) established that DART-TOFMS provides reproducible mass spectra that are useful for inferring the genus of suspected agarwood samples. We identified 17 ions which were useful for authenticating agarwood. Comparison of the number of chromone ions detected by direct analyses of dry wood chips versus eluent analysis of methanol-extracted wood showed that results were similar. Lastly, analysis of 25 scented woods of other species did not give false positive results. CONCLUSIONS Reliable criteria for inferring agarwood include the presence of diagnostic ions, m/z 319.118 or 349.129, in addition to ten or more ions characteristic of 2-(2-phenylethyl)chromones. Wood anatomists challenged with difficult morphological identifications can use this tool to assist in their analyses. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Detection of nitro-organic and peroxide explosives in latent fingermarks by DART- and SALDI-TOF-mass spectrometry.\n \n \n \n \n\n\n \n Rowell, F.; Seviour, J.; Lim, A. Y.; Elumbaring-Salazar, C. G.; Loke, J.; and Ma, J.\n\n\n \n\n\n\n Forensic Science International, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{rowell_detection_2012,\n\ttitle = {Detection of nitro-organic and peroxide explosives in latent fingermarks by {DART}- and {SALDI}-{TOF}-mass spectrometry},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073812001703},\n\tdoi = {10.1016/j.forsciint.2012.04.007},\n\tabstract = {The ability of two mass spectrometric methods, surface-assisted laser desorption/ionization-time of flight-mass spectrometry (SALDI-TOF-MS) and direct analysis in real time (DART-MS), to detect the presence of seven common explosives (six nitro-organic- and one peroxide-type) in spiked latent fingermarks has been examined. It was found that each explosive could be detected with nanogram sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-TOF-MS for marks pre-dusted with one type of commercial black magnetic powder. These explosives also could be detected in latent marks lifted from six common surfaces (paper, plastic bag, metal drinks can, wood laminate, adhesive tape and white ceramic tile) whereas no explosive could be detected in equivalent pre-dusted marks on the surface of a commercial lifting tape by the DART-MS method due to high background interference from the tape material. The presence of TNT and Tetryl could be detected in pre-dusted latent fingermarks on a commercial lifting tape for up to 29 days sealed and stored under ambient conditions.},\n\tnumber = {0},\n\tjournal = {Forensic Science International},\n\tauthor = {Rowell, Frederick and Seviour, John and Lim, Angelina Yimei and Elumbaring-Salazar, Cheryl Grace and Loke, Jason and Ma, Jan},\n\tyear = {2012},\n\tkeywords = {Contact residues, DART-mass spectrometry, Dusting powder, Lifted latent fingermarks, Nitro-organic and peroxide explosives, SALDI-TOF-mass spectrometry, Stability},\n}\n\n\n\n
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\n The ability of two mass spectrometric methods, surface-assisted laser desorption/ionization-time of flight-mass spectrometry (SALDI-TOF-MS) and direct analysis in real time (DART-MS), to detect the presence of seven common explosives (six nitro-organic- and one peroxide-type) in spiked latent fingermarks has been examined. It was found that each explosive could be detected with nanogram sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-TOF-MS for marks pre-dusted with one type of commercial black magnetic powder. These explosives also could be detected in latent marks lifted from six common surfaces (paper, plastic bag, metal drinks can, wood laminate, adhesive tape and white ceramic tile) whereas no explosive could be detected in equivalent pre-dusted marks on the surface of a commercial lifting tape by the DART-MS method due to high background interference from the tape material. The presence of TNT and Tetryl could be detected in pre-dusted latent fingermarks on a commercial lifting tape for up to 29 days sealed and stored under ambient conditions.\n
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\n \n\n \n \n \n \n \n \n Graphite-Coated Paper as Substrate for High Sensitivity Analysis in Ambient Surface-Assisted Laser Desorption/Ionization Mass Spectrometry.\n \n \n \n \n\n\n \n Zhang, J.; Li, Z.; Zhang, C.; Feng, B.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Anal. Chem., 84(7): 3296–3301. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"Graphite-CoatedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{zhang_graphite-coated_2012,\n\ttitle = {Graphite-{Coated} {Paper} as {Substrate} for {High} {Sensitivity} {Analysis} in {Ambient} {Surface}-{Assisted} {Laser} {Desorption}/{Ionization} {Mass} {Spectrometry}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac300002g},\n\tdoi = {10.1021/ac300002g},\n\tabstract = {In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.\nIn this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.},\n\tnumber = {7},\n\tjournal = {Anal. Chem.},\n\tauthor = {Zhang, Jialing and Li, Ze and Zhang, Chengsen and Feng, Baosheng and Zhou, Zhigui and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tpages = {3296--3301},\n}\n\n\n\n
\n
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\n In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules. In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.\n
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\n \n\n \n \n \n \n \n \n Chemometric Classification of Morphologically Similar Umbelliferae Medicinal Herbs by DART-TOF-MS Fingerprint.\n \n \n \n \n\n\n \n Lee, S. M.; Kim, H.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,n/a. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ChemometricPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{lee_chemometric_2012,\n\ttitle = {Chemometric {Classification} of {Morphologically} {Similar} {Umbelliferae} {Medicinal} {Herbs} by {DART}-{TOF}-{MS} {Fingerprint}},\n\tissn = {1099-1565},\n\turl = {http://dx.doi.org/10.1002/pca.2348},\n\tdoi = {10.1002/pca.2348},\n\tabstract = {Introduction\nIt needs many years of special training to gain expertise on the organoleptic classification of botanical raw materials and, even for those experts, discrimination among Umbelliferae medicinal herbs remains an intricate challenge due to their morphological similarity. \nObjective\nTo develop a new chemometric classification method using a direct analysis in real time–time of flight–mass spectrometry (DART-TOF-MS) fingerprinting for Umbelliferae medicinal herbs and to provide a platform for its application to the discrimination of other herbal medicines. \nMethodology\nAngelica tenuissima, Angelica gigas, Angelica dahurica and Cnidium officinale were chosen for this study and ten samples of each species were purchased from various Korean markets. DART-TOF-MS was employed on powdered raw materials to obtain a chemical fingerprint of each sample and the orthogonal partial-least squares method in discriminant analysis (OPLS-DA) was used for multivariate analysis. \nResults\nAll samples of collected species were successfully discriminated from each other according to their characteristic DART-TOF-MS fingerprint. Decursin (or decursinol angelate) and byakangelicol were identified as marker molecules for Angelica gigas and A. dahurica, respectively. Using the OPLS method for discriminant analysis, Angelica tenuissima and Cnidium officinale were clearly separated into two groups. Angelica tenuissima was characterised by the presence of ligustilide and unidentified molecular ions of m/z 239 and 283, while senkyunolide A together with signals with m/z 387 and 389 were the marker compounds for Cnidium officinale. \nConclusion\nElaborating with chemoinformatics, DART-TOF-MS fingerprinting with chemoinformatic tools results in a powerful method for the classification of morphologically similar Umbelliferae medicinal herbs and quality control of medicinal herbal products, including the extracts of these crude drugs. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Lee, Sang Min and Kim, Hye-Jin and Jang, Young Pyo},\n\tyear = {2012},\n\tkeywords = {DART-TOF-MS, DART-TOF-MS; multivariate analysis; OPLS-DA; metabolomics; Umbelliferae; AccuTOF, OPLS-DA, Umbelliferae, metabolomics, multivariate analysis},\n\tpages = {n/a},\n}\n\n\n\n
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\n Introduction It needs many years of special training to gain expertise on the organoleptic classification of botanical raw materials and, even for those experts, discrimination among Umbelliferae medicinal herbs remains an intricate challenge due to their morphological similarity. Objective To develop a new chemometric classification method using a direct analysis in real time–time of flight–mass spectrometry (DART-TOF-MS) fingerprinting for Umbelliferae medicinal herbs and to provide a platform for its application to the discrimination of other herbal medicines. Methodology Angelica tenuissima, Angelica gigas, Angelica dahurica and Cnidium officinale were chosen for this study and ten samples of each species were purchased from various Korean markets. DART-TOF-MS was employed on powdered raw materials to obtain a chemical fingerprint of each sample and the orthogonal partial-least squares method in discriminant analysis (OPLS-DA) was used for multivariate analysis. Results All samples of collected species were successfully discriminated from each other according to their characteristic DART-TOF-MS fingerprint. Decursin (or decursinol angelate) and byakangelicol were identified as marker molecules for Angelica gigas and A. dahurica, respectively. Using the OPLS method for discriminant analysis, Angelica tenuissima and Cnidium officinale were clearly separated into two groups. Angelica tenuissima was characterised by the presence of ligustilide and unidentified molecular ions of m/z 239 and 283, while senkyunolide A together with signals with m/z 387 and 389 were the marker compounds for Cnidium officinale. Conclusion Elaborating with chemoinformatics, DART-TOF-MS fingerprinting with chemoinformatic tools results in a powerful method for the classification of morphologically similar Umbelliferae medicinal herbs and quality control of medicinal herbal products, including the extracts of these crude drugs. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Where is the next high? - Rapid identification of synthetic cannabinoids in \"Spice\" products.\n \n \n \n\n\n \n Huang, L.; Veltri, M.; Cody, R. B.; Dane, A. J.; Rivera, A.; Marino, M. A.; and Kim, W. J.\n\n\n \n\n\n\n Forensic Science International, submitted. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{huang_where_2012,\n\ttitle = {Where is the next high? - {Rapid} identification of synthetic cannabinoids in "{Spice}" products},\n\tvolume = {submitted},\n\tjournal = {Forensic Science International},\n\tauthor = {Huang, Ling and Veltri, Mercurio and Cody, Robert B. and Dane, A. John and Rivera, Amanda and Marino, Michael A. and Kim, Woen J.},\n\tyear = {2012},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization.\n \n \n \n \n\n\n \n He, X.; Xie, Z.; Gao, Y.; Hu, W.; Guo, L.; Jiang, L.; and Lu, Y.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 67: 64–73. January 2012.\n \n\n\n\n
\n\n\n\n \n \n \"MassPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{he_mass_2012,\n\ttitle = {Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization},\n\tvolume = {67},\n\tissn = {05848547},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0584854712000055},\n\tdoi = {10.1016/j.sab.2012.01.003},\n\tabstract = {Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {He, X.N. and Xie, Z.Q. and Gao, Y. and Hu, W. and Guo, L.B. and Jiang, L. and Lu, Y.F.},\n\tmonth = jan,\n\tyear = {2012},\n\tkeywords = {LI-TOFMS; DART; Laser-induced plasma; LIBS; AccuTOF},\n\tpages = {64--73},\n}\n\n\n\n
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\n Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.\n
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\n \n\n \n \n \n \n \n \n Fingerprinting food: current technologies for the detection of food adulteration and contamination.\n \n \n \n \n\n\n \n Ellis, D. I.; Brewster, V. L.; Dunn, W. B.; Allwood, J. W.; Golovanov, A. P.; and Goodacre, R.\n\n\n \n\n\n\n Chem. Soc. Rev.. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"FingerprintingPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{ellis_fingerprinting_2012,\n\ttitle = {Fingerprinting food: current technologies for the detection of food adulteration and contamination},\n\tissn = {0306-0012},\n\turl = {http://dx.doi.org/10.1039/C2CS35138B},\n\tabstract = {Major food adulteration and contamination events seem to occur with some regularity, such as the widely publicised adulteration of milk products with melamine and the recent microbial contamination of vegetables across Europe for example. With globalisation and rapid distribution systems, these can have international impacts with far-reaching and sometimes lethal consequences. These events, though potentially global in the modern era, are in fact far from contemporary, and deliberate adulteration of food products is probably as old as the food processing and production systems themselves. This review first introduces some background into these practices, both historically and contemporary, before introducing a range of the technologies currently available for the detection of food adulteration and contamination. These methods include the vibrational spectroscopies: near-infrared, mid-infrared, Raman; NMR spectroscopy, as well as a range of mass spectrometry (MS) techniques, amongst others. This subject area is particularly relevant at this time, as it not only concerns the continuous engagement with food adulterers, but also more recent issues such as food security, bioterrorism and climate change. It is hoped that this introductory overview acts as a springboard for researchers in science, technology, engineering, and industry, in this era of systems-level thinking and interdisciplinary approaches to new and contemporary problems.},\n\tjournal = {Chem. Soc. Rev.},\n\tauthor = {Ellis, David I. and Brewster, Victoria L. and Dunn, Warwick B. and Allwood, J. William and Golovanov, Alexander P. and Goodacre, Royston},\n\tyear = {2012},\n}\n\n\n\n
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\n Major food adulteration and contamination events seem to occur with some regularity, such as the widely publicised adulteration of milk products with melamine and the recent microbial contamination of vegetables across Europe for example. With globalisation and rapid distribution systems, these can have international impacts with far-reaching and sometimes lethal consequences. These events, though potentially global in the modern era, are in fact far from contemporary, and deliberate adulteration of food products is probably as old as the food processing and production systems themselves. This review first introduces some background into these practices, both historically and contemporary, before introducing a range of the technologies currently available for the detection of food adulteration and contamination. These methods include the vibrational spectroscopies: near-infrared, mid-infrared, Raman; NMR spectroscopy, as well as a range of mass spectrometry (MS) techniques, amongst others. This subject area is particularly relevant at this time, as it not only concerns the continuous engagement with food adulterers, but also more recent issues such as food security, bioterrorism and climate change. It is hoped that this introductory overview acts as a springboard for researchers in science, technology, engineering, and industry, in this era of systems-level thinking and interdisciplinary approaches to new and contemporary problems.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry for analysis of sexual assault evidence.\n \n \n \n \n\n\n \n Musah, R. A.; Cody, R. B.; Dane, A. J.; Vuong, A. L.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1039–1046. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{musah_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry for analysis of sexual assault evidence},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6198},\n\tdoi = {10.1002/rcm.6198},\n\tabstract = {RATIONALE\nSexual assault crimes are vastly underreported and suffer from alarmingly low prosecution and conviction rates. The key scientific method to aid in prosecution of such cases is forensic DNA analysis, where biological evidence such as semen collected using a rape test kit is used to determine a suspect's DNA profile. However, the growing awareness by criminals of the importance of DNA in the prosecution of sexual assaults has resulted in increased condom use by assailants as a means to avoid leaving behind their DNA. Thus, other types of trace evidence are important to help corroborate victims' accounts, exonerate the innocent, link suspects to the crime, or confirm penetration. \nMETHODS\nDirect Analysis in Real Time Mass Spectrometry (DART-MS) was employed for the comprehensive characterization of non-DNA trace evidence associated with sexual assault. The ambient ionization method associated with DART-MS is extremely rapid and samples are processed instantaneously, without the need for extraction, sample preparation, or other means that might compromise forensic evidence for future analyses. \nRESULTS\nIn a single assay, we demonstrated the ability to identify lubricant formulations associated with sexual assault, such as the spermicide nonoxynol-9, compounds used in condom manufacture, and numerous other trace components as probative evidence. In addition, the method can also serve to identify compounds within trace biological residues, such as fatty acids commonly identified in latent fingerprints. \nCONCLUSIONS\nCharacterization of lubricant residues as probative evidence serves to establish a connection between the victim and the perpetrator, and the availability of these details may lead to higher rates of prosecution and conviction, as well as more severe penalties. The methodology described here opens the way for the adoption of a comprehensive, rapid, and sensitive analysis for use in crime labs, while providing knowledge that can inform and guide criminal justice policy and practice. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Cody, Robert B. and Dane, A. John and Vuong, Angela L. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1039--1046},\n}\n\n\n\n
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\n RATIONALE Sexual assault crimes are vastly underreported and suffer from alarmingly low prosecution and conviction rates. The key scientific method to aid in prosecution of such cases is forensic DNA analysis, where biological evidence such as semen collected using a rape test kit is used to determine a suspect's DNA profile. However, the growing awareness by criminals of the importance of DNA in the prosecution of sexual assaults has resulted in increased condom use by assailants as a means to avoid leaving behind their DNA. Thus, other types of trace evidence are important to help corroborate victims' accounts, exonerate the innocent, link suspects to the crime, or confirm penetration. METHODS Direct Analysis in Real Time Mass Spectrometry (DART-MS) was employed for the comprehensive characterization of non-DNA trace evidence associated with sexual assault. The ambient ionization method associated with DART-MS is extremely rapid and samples are processed instantaneously, without the need for extraction, sample preparation, or other means that might compromise forensic evidence for future analyses. RESULTS In a single assay, we demonstrated the ability to identify lubricant formulations associated with sexual assault, such as the spermicide nonoxynol-9, compounds used in condom manufacture, and numerous other trace components as probative evidence. In addition, the method can also serve to identify compounds within trace biological residues, such as fatty acids commonly identified in latent fingerprints. CONCLUSIONS Characterization of lubricant residues as probative evidence serves to establish a connection between the victim and the perpetrator, and the availability of these details may lead to higher rates of prosecution and conviction, as well as more severe penalties. The methodology described here opens the way for the adoption of a comprehensive, rapid, and sensitive analysis for use in crime labs, while providing knowledge that can inform and guide criminal justice policy and practice. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry for the rapid identification of four highly hazardous pesticides in agrochemicals.\n \n \n \n \n\n\n \n Wang, L.; Zhao, P.; Zhang, F.; Li, Y.; and Pan, C.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(16): 1859–1867. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{wang_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry for the rapid identification of four highly hazardous pesticides in agrochemicals},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6274},\n\tdoi = {10.1002/rcm.6274},\n\tabstract = {RATIONALE\nDirect analysis in real time (DART) is a new ion source technique, which is conducted in the open air under ambient conditions, applied to the rapid and direct analysis of any material (gases, liquids, and solids) with minimal or no sample preparation. In order to take advantage of the capacity of DART mass spectrometry for the real-time analysis of hazardous ingredients in commercial agrochemicals, a pilot study of rapid qualitative determination of hazardous pesticides was performed. \nMETHODS\nHighly hazardous pesticides were identified by DART ionization coupled to a single-quadrupole mass spectrometer (DART-MS). Acetonitrile was chosen for dissolving samples prior to the analysis. Samples were analyzed by this technique in as little as 5 s. \nRESULTS\nPhorate, carbofuran, ethoprophos and fipronil were be detected directly from commercial agrochemicals. The ionization-related parameters (DART temperature, grid voltage and MS fragment) of these compounds were optimized to obtain highly response. Isotope patterns were taken into consideration for qualitative identification. Relative standard deviations (RSDs, n = 5) of 2.3–15.0\\% were obtained by measuring the relative abundance of selected isotopes. \nCONCLUSIONS\nThis study showed that DART-MS technology was able to qualitatively determine the existence of highly hazardous pesticides in commercial pesticide formulations. It is suggested that this technology should be applied for routine monitoring in the market. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {16},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Wang, Lei and Zhao, Pengyue and Zhang, Fengzu and Li, Yanjie and Pan, Canping},\n\tyear = {2012},\n\tpages = {1859--1867},\n}\n\n\n\n
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\n RATIONALE Direct analysis in real time (DART) is a new ion source technique, which is conducted in the open air under ambient conditions, applied to the rapid and direct analysis of any material (gases, liquids, and solids) with minimal or no sample preparation. In order to take advantage of the capacity of DART mass spectrometry for the real-time analysis of hazardous ingredients in commercial agrochemicals, a pilot study of rapid qualitative determination of hazardous pesticides was performed. METHODS Highly hazardous pesticides were identified by DART ionization coupled to a single-quadrupole mass spectrometer (DART-MS). Acetonitrile was chosen for dissolving samples prior to the analysis. Samples were analyzed by this technique in as little as 5 s. RESULTS Phorate, carbofuran, ethoprophos and fipronil were be detected directly from commercial agrochemicals. The ionization-related parameters (DART temperature, grid voltage and MS fragment) of these compounds were optimized to obtain highly response. Isotope patterns were taken into consideration for qualitative identification. Relative standard deviations (RSDs, n = 5) of 2.3–15.0% were obtained by measuring the relative abundance of selected isotopes. CONCLUSIONS This study showed that DART-MS technology was able to qualitatively determine the existence of highly hazardous pesticides in commercial pesticide formulations. It is suggested that this technology should be applied for routine monitoring in the market. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Application of Direct Analysis in Real Time Mass Spectrometry (DART-MS) for Identification of an Epiphytic Cyanobacterium, Nostoc Sp.\n \n \n \n \n\n\n \n Singh, S.; and Verma, S. K.\n\n\n \n\n\n\n Analytical Letters, 45(17): 2562–2568. May 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{singh_application_2012,\n\ttitle = {Application of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) for {Identification} of an {Epiphytic} {Cyanobacterium}, {Nostoc} {Sp}.},\n\tvolume = {45},\n\tissn = {0003-2719},\n\turl = {http://dx.doi.org/10.1080/00032719.2012.694940},\n\tdoi = {10.1080/00032719.2012.694940},\n\tabstract = {Cyanobacteria, a diverse group of bacteria are identified entirely on the basis of morphological characters, which can frequently lead to incorrect results; therefore, the present study reports a new approach for identification of an organism based on DART technique. Direct Analysis in Real Time Mass Spectrometry (DART-MS) was used to identify a cyanobacterium, isolated from the leaf surface, on the basis of characteristic chemical compounds present in the strain. A chemical fingerprint was generated and peaks obtained were found to be similar to the masses of the compounds reported for Nostoc sp.},\n\tnumber = {17},\n\turldate = {2012-11-28},\n\tjournal = {Analytical Letters},\n\tauthor = {Singh, Shachi and Verma, S. K.},\n\tmonth = may,\n\tyear = {2012},\n\tpages = {2562--2568},\n}\n\n\n\n
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\n\n\n
\n Cyanobacteria, a diverse group of bacteria are identified entirely on the basis of morphological characters, which can frequently lead to incorrect results; therefore, the present study reports a new approach for identification of an organism based on DART technique. Direct Analysis in Real Time Mass Spectrometry (DART-MS) was used to identify a cyanobacterium, isolated from the leaf surface, on the basis of characteristic chemical compounds present in the strain. A chemical fingerprint was generated and peaks obtained were found to be similar to the masses of the compounds reported for Nostoc sp.\n
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\n \n\n \n \n \n \n \n \n DART-Orbitrap MS: a novel mass spectrometric approach for the identification of phenolic compounds in propolis.\n \n \n \n \n\n\n \n Chernetsova, E.; Bromirski, M.; Scheibner, O.; and Morlock, G.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–9. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DART-OrbitrapPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_dart-orbitrap_2012,\n\ttitle = {{DART}-{Orbitrap} {MS}: a novel mass spectrometric approach for the identification of phenolic compounds in propolis},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5800-6},\n\tabstract = {This is the first direct analysis in real-time mass spectrometry (DART-MS) study of propolis and a first study on the analysis of bee products using high-resolution DART-MS (DART-HRMS). Identification of flavonoids and other phenolic compounds in propolis using direct analysis in real-time coupling with Orbitrap mass spectrometry (DART-Orbitrap MS) was performed in the negative ion mode for minimizing the matrix effects, while the positive ion mode was used for the confirmation of selected compounds. Possible elemental formulae were suggested for marker components. The duration of one sample analysis by DART-MS analysis lasted ca . 30 s, and all benefits of high-resolution mass spectrometry were used upon data processing using the coupling of DART with the Orbitrap mass spectrometer. The possibility for scanning analysis of dried propolis extract spots on a planar porous surface was investigated in the heated gas flow of the DART ion source with adjustable angle. As an independent method, the approach of scanning analysis is of high interest and of future potential for confirmation of the results obtained from liquid sample analysis. Scanning analysis is highly promising for further development in the bioanalytical field due to the convenience of the storage and transportation of dried sample spots.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Chernetsova, Elena and Bromirski, Maciej and Scheibner, Olaf and Morlock, Gertrud},\n\tyear = {2012},\n\tpages = {1--9},\n}\n\n\n\n
\n
\n\n\n
\n This is the first direct analysis in real-time mass spectrometry (DART-MS) study of propolis and a first study on the analysis of bee products using high-resolution DART-MS (DART-HRMS). Identification of flavonoids and other phenolic compounds in propolis using direct analysis in real-time coupling with Orbitrap mass spectrometry (DART-Orbitrap MS) was performed in the negative ion mode for minimizing the matrix effects, while the positive ion mode was used for the confirmation of selected compounds. Possible elemental formulae were suggested for marker components. The duration of one sample analysis by DART-MS analysis lasted ca . 30 s, and all benefits of high-resolution mass spectrometry were used upon data processing using the coupling of DART with the Orbitrap mass spectrometer. The possibility for scanning analysis of dried propolis extract spots on a planar porous surface was investigated in the heated gas flow of the DART ion source with adjustable angle. As an independent method, the approach of scanning analysis is of high interest and of future potential for confirmation of the results obtained from liquid sample analysis. Scanning analysis is highly promising for further development in the bioanalytical field due to the convenience of the storage and transportation of dried sample spots.\n
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\n \n\n \n \n \n \n \n \n DART MS based chemical profiling for therapeutic potential of Piper betle landraces.\n \n \n \n \n\n\n \n Bajpai, V; Pandey, R; Negi, M.; Kumar, N; and Kumar, B\n\n\n \n\n\n\n Natural product communications, 7(12): 1627–1629. December 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{bajpai_dart_2012,\n\ttitle = {{DART} {MS} based chemical profiling for therapeutic potential of {Piper} betle landraces.},\n\tvolume = {7},\n\turl = {http://europepmc.org/abstract/MED/23413569},\n\tabstract = {Piper betle Linn. leaves are traditionally used as a folk medicine in India and other Asiatic countries. Twenty-one P. betle landraces were analyzed using a Direct Analysis in Real Time (DART) mass spectral technique and evaluated on the basis of molecules detected in the leaves. Clustering of landraces based on three well known biologically active phenols (m/z 151,165,193) showed two broad groups with high and low phenol contents suggesting differences in their therapeutic potential. Findings of this study could be useful in rapid screening of the landraces for determining their medicinal potential and optimum utilization of the bioresource.},\n\tnumber = {12},\n\tjournal = {Natural product communications},\n\tauthor = {Bajpai, V and Pandey, R and Negi, MP and Kumar, N and Kumar, B},\n\tmonth = dec,\n\tyear = {2012},\n\tkeywords = {Calibration, Computer Systems, Drug Evaluation, Preclinical, Oils, Volatile, Phenols, Piper betle, Plant Leaves, Software, mass spectrometry},\n\tpages = {1627--1629},\n}\n\n\n\n
\n
\n\n\n
\n Piper betle Linn. leaves are traditionally used as a folk medicine in India and other Asiatic countries. Twenty-one P. betle landraces were analyzed using a Direct Analysis in Real Time (DART) mass spectral technique and evaluated on the basis of molecules detected in the leaves. Clustering of landraces based on three well known biologically active phenols (m/z 151,165,193) showed two broad groups with high and low phenol contents suggesting differences in their therapeutic potential. Findings of this study could be useful in rapid screening of the landraces for determining their medicinal potential and optimum utilization of the bioresource.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry and multivariate data analysis: A novel approach to rapid identification of analytical markers for quality control of traditional Chinese medicine preparation.\n \n \n \n \n\n\n \n Zeng, S.; Wang, L.; Chen, T.; Wang, Y.; Mo, H.; and Qu, H.\n\n\n \n\n\n\n Analytica Chimica Acta, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zeng_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry and multivariate data analysis: {A} novel approach to rapid identification of analytical markers for quality control of traditional {Chinese} medicine preparation},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S000326701200596X},\n\tdoi = {10.1016/j.aca.2012.04.025},\n\tabstract = {The paper presents a novel strategy to identify analytical markers of traditional Chinese medicine preparation (TCMP) rapidly via direct analysis in real time mass spectrometry (DART-MS). A commonly used TCMP, Danshen injection, was employed as a model. The optimal analysis conditions were achieved by measuring the contribution of various experimental parameters to the mass spectra. Salvianolic acids and saccharides were simultaneously determined within a single 1-min DART-MS run. Furthermore, spectra of Danshen injections supplied by five manufacturers were processed with principal component analysis (PCA). Obvious clustering was observed in the PCA score plot, and candidate markers were recognized from the contribution plots of PCA. The suitability of potential markers was then confirmed by contrasting with the results of traditional analysis methods. Using this strategy, fructose, glucose, sucrose, protocatechuic aldehyde and salvianolic acid A were rapidly identified as the markers of Danshen injections. The combination of DART-MS with PCA provides a reliable approach to the identification of analytical markers for quality control of TCMP.},\n\tnumber = {0},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zeng, Shanshan and Wang, Lu and Chen, Teng and Wang, Yuefei and Mo, Huanbiao and Qu, Haibin},\n\tyear = {2012},\n\tkeywords = {Analytical marker, Direct analysis in real time, Principal component analysis, Traditional Chinese medicine preparation, mass spectrometry},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The paper presents a novel strategy to identify analytical markers of traditional Chinese medicine preparation (TCMP) rapidly via direct analysis in real time mass spectrometry (DART-MS). A commonly used TCMP, Danshen injection, was employed as a model. The optimal analysis conditions were achieved by measuring the contribution of various experimental parameters to the mass spectra. Salvianolic acids and saccharides were simultaneously determined within a single 1-min DART-MS run. Furthermore, spectra of Danshen injections supplied by five manufacturers were processed with principal component analysis (PCA). Obvious clustering was observed in the PCA score plot, and candidate markers were recognized from the contribution plots of PCA. The suitability of potential markers was then confirmed by contrasting with the results of traditional analysis methods. Using this strategy, fructose, glucose, sucrose, protocatechuic aldehyde and salvianolic acid A were rapidly identified as the markers of Danshen injections. The combination of DART-MS with PCA provides a reliable approach to the identification of analytical markers for quality control of TCMP.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time by Mass Spectrometric Technique for Determining the Variation in Metabolite Profiles of Cinnamomum tamala Nees and Eberm Genotypes.\n \n \n \n \n\n\n \n Singh, V.; Gupta, A. K.; Singh, S. P.; and Kumar, A.\n\n\n \n\n\n\n The Scientific World Journal, 2012: 6. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{singh_direct_2012,\n\ttitle = {Direct {Analysis} in {Real} {Time} by {Mass} {Spectrometric} {Technique} for {Determining} the {Variation} in {Metabolite} {Profiles} of {Cinnamomum} tamala {Nees} and {Eberm} {Genotypes}},\n\tvolume = {2012},\n\turl = {http://dx.doi.org/10.1100/2012/549265},\n\tabstract = {Cinnamomum tamala Nees \\& Eberm. is an important traditional  medicinal plant, mentioned in various ancient  literatures such as Ayurveda. Several of its medicinal properties have recently been proved. To characterize diversity in terms of metabolite profiles of Cinnamomum tamala Nees and Eberm genotypes, a newly emerging mass spectral ionization technique direct time in real time (DART) is very helpful. The DART ion source has been used to analyze an extremely wide range of phytochemicals present in leaves of Cinnamomum tamala. Ten genotypes were assessed for the presence of different phytochemicals. Phytochemical analysis showed the presence of mainly terpenes and phenols. These constituents vary in the different genotypes of Cinnamomum tamala. Principal component analysis has also been employed to analyze the DART data of these Cinnamomum genotypes. The result shows that the genotype of Cinnamomum tamala could be differentiated using DART MS data. The active components present in Cinnamomum tamala may be contributing significantly to high amount of antioxidant property of leaves and, in turn, conditional effects for diabetic patients.},\n\tjournal = {The Scientific World Journal},\n\tauthor = {Singh, Vineeta and Gupta, Atul Kumar and Singh, S. P. and Kumar, Anil},\n\tyear = {2012},\n\tpages = {6},\n}\n\n\n\n
\n
\n\n\n
\n Cinnamomum tamala Nees & Eberm. is an important traditional medicinal plant, mentioned in various ancient literatures such as Ayurveda. Several of its medicinal properties have recently been proved. To characterize diversity in terms of metabolite profiles of Cinnamomum tamala Nees and Eberm genotypes, a newly emerging mass spectral ionization technique direct time in real time (DART) is very helpful. The DART ion source has been used to analyze an extremely wide range of phytochemicals present in leaves of Cinnamomum tamala. Ten genotypes were assessed for the presence of different phytochemicals. Phytochemical analysis showed the presence of mainly terpenes and phenols. These constituents vary in the different genotypes of Cinnamomum tamala. Principal component analysis has also been employed to analyze the DART data of these Cinnamomum genotypes. The result shows that the genotype of Cinnamomum tamala could be differentiated using DART MS data. The active components present in Cinnamomum tamala may be contributing significantly to high amount of antioxidant property of leaves and, in turn, conditional effects for diabetic patients.\n
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\n \n\n \n \n \n \n \n \n Normal phase LC coupled with DART-MS for the chiral analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol and jasmonic acid.\n \n \n \n \n\n\n \n Chang, C.; Zhou, Z.; Yang, Y.; Han, Y.; Bai, Y.; Zhao, M.; and Liu, H.\n\n\n \n\n\n\n ELECTROPHORESIS,n/a. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"NormalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{chang_normal_2012,\n\ttitle = {Normal phase {LC} coupled with {DART}-{MS} for the chiral analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol and jasmonic acid},\n\tissn = {1522-2683},\n\turl = {http://dx.doi.org/10.1002/elps.201200122},\n\tdoi = {10.1002/elps.201200122},\n\tabstract = {Normal phase chiral liquid chromatography has been proved to be powerful and efficient for chiral separation. However, the combination of normal phase liquid chromatography (NPLC) with electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) is restricted by the poor ionization efficiency and thermal fragmentations of analytes to some extent. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization technique that shows high ionization efficiency of the analytes in the normal phase mobile phase. In this work, we coupled chiral NPLC to DART-MS for the chiral qualitative and quantitative analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) and jasmonic acid (JA) enantiomers. Satisfactory results for the enantiomers of NNAL operating in the positive mode were obtained in terms of linearity (2.5–250 μg/mL, R2, 0.999–1.000) and repeatability (25 μg/mL, RSDs, 4.7–5.6\\%). Moreover, chiral NPLC-DART-MS resulted in the simultaneous chiral separation and detection of JA enantiomers, which are very difficult to be analyzed by NPLC-ESI-MS and NPLC-APCI-MS. Compared with the coupled techniques of NPLC-ESI-MS and NPLC-APCI-MS, NPLC-DART-MS showed advantages in increasing the ionization efficiency and reducing the in-source thermal fragmentation of analytes.},\n\tjournal = {ELECTROPHORESIS},\n\tauthor = {Chang, Cuilan and Zhou, Zhigui and Yang, Youyou and Han, Yehua and Bai, Yu and Zhao, Meiping and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol, Chiral separation, DART-MS, Jasmonic acid, NPLC},\n\tpages = {n/a},\n}\n\n\n\n
\n
\n\n\n
\n Normal phase chiral liquid chromatography has been proved to be powerful and efficient for chiral separation. However, the combination of normal phase liquid chromatography (NPLC) with electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) is restricted by the poor ionization efficiency and thermal fragmentations of analytes to some extent. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization technique that shows high ionization efficiency of the analytes in the normal phase mobile phase. In this work, we coupled chiral NPLC to DART-MS for the chiral qualitative and quantitative analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) and jasmonic acid (JA) enantiomers. Satisfactory results for the enantiomers of NNAL operating in the positive mode were obtained in terms of linearity (2.5–250 μg/mL, R2, 0.999–1.000) and repeatability (25 μg/mL, RSDs, 4.7–5.6%). Moreover, chiral NPLC-DART-MS resulted in the simultaneous chiral separation and detection of JA enantiomers, which are very difficult to be analyzed by NPLC-ESI-MS and NPLC-APCI-MS. Compared with the coupled techniques of NPLC-ESI-MS and NPLC-APCI-MS, NPLC-DART-MS showed advantages in increasing the ionization efficiency and reducing the in-source thermal fragmentation of analytes.\n
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\n \n\n \n \n \n \n \n \n Analysis of select Dalbergia and trade timber using direct analysis in real time and time-of-flight mass spectrometry for CITES enforcement.\n \n \n \n \n\n\n \n Lancaster, C.; and Espinoza, E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1147–1156. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{lancaster_analysis_2012,\n\ttitle = {Analysis of select {Dalbergia} and trade timber using direct analysis in real time and time-of-flight mass spectrometry for {CITES} enforcement},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6215},\n\tdoi = {10.1002/rcm.6215},\n\tabstract = {RATIONALE\nInternational trade of several Dalbergia wood species is regulated by The Convention on International Trade in Endangered Species of Wild Fauna and Flora (CITES). In order to supplement morphological identification of these species, a rapid chemical method of analysis was developed. \nMETHODS\nUsing Direct Analysis in Real Time (DART) ionization coupled with Time-of-Flight (TOF) Mass Spectrometry (MS), selected Dalbergia and common trade species were analyzed. Each of the 13 wood species was classified using principal component analysis and linear discriminant analysis (LDA). These statistical data clusters served as reliable anchors for species identification of unknowns. \nRESULTS\nAnalysis of 20 or more samples from the 13 species studied in this research indicates that the DART-TOFMS results are reproducible. Statistical analysis of the most abundant ions gave good classifications that were useful for identifying unknown wood samples. \nCONCLUSIONS\nDART-TOFMS and LDA analysis of 13 species of selected timber samples and the statistical classification allowed for the correct assignment of unknown wood samples. This method is rapid and can be useful when anatomical identification is difficult but needed in order to support CITES enforcement. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Lancaster, Cady and Espinoza, Edgard},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1147--1156},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE International trade of several Dalbergia wood species is regulated by The Convention on International Trade in Endangered Species of Wild Fauna and Flora (CITES). In order to supplement morphological identification of these species, a rapid chemical method of analysis was developed. METHODS Using Direct Analysis in Real Time (DART) ionization coupled with Time-of-Flight (TOF) Mass Spectrometry (MS), selected Dalbergia and common trade species were analyzed. Each of the 13 wood species was classified using principal component analysis and linear discriminant analysis (LDA). These statistical data clusters served as reliable anchors for species identification of unknowns. RESULTS Analysis of 20 or more samples from the 13 species studied in this research indicates that the DART-TOFMS results are reproducible. Statistical analysis of the most abundant ions gave good classifications that were useful for identifying unknown wood samples. CONCLUSIONS DART-TOFMS and LDA analysis of 13 species of selected timber samples and the statistical classification allowed for the correct assignment of unknown wood samples. This method is rapid and can be useful when anatomical identification is difficult but needed in order to support CITES enforcement. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Rapid control of Chinese star anise fruits and teas for neurotoxic anisatin by Direct Analysis in Real Time (DART) high resolution mass spectrometry.\n \n \n \n \n\n\n \n Shen, Y.; van Beek, T. A.; Claassen, F. W.; Zuilhof, H.; Chen, B.; and Nielen, M. W.\n\n\n \n\n\n\n Journal of Chromatography A, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{shen_rapid_2012,\n\ttitle = {Rapid control of {Chinese} star anise fruits and teas for neurotoxic anisatin by {Direct} {Analysis} in {Real} {Time} ({DART}) high resolution mass spectrometry},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967312004712},\n\tdoi = {10.1016/j.chroma.2012.03.058},\n\tabstract = {After ingestion, products containing Chinese star anise (Illicium verum) contaminated or adulterated with Japanese star anise (Illicium anisatum) or other Illicium species, can cause epilepsy, hallucinations, and nausea due to the rare neurotoxic sesquiterpene dilactone anisatin that is present in Japanese star anise. Thus a rapid, simple and unambiguous method for distinguishing between the morphologically similar Chinese star anise and toxic Japanese star anise is important for food safety issues. Direct Analysis in Real Time (DART) ambient ionisation coupled with orbitrap high resolution mass spectrometry allowed the recording of mass spectra of anisatin in solid star anise fruits in seconds without any prior sample pretreatment. Spectra could be obtained in both positive ([M+NH4]+ at m/z 346.1496, C15H24NO8) and negative mode ([M−H]− at m/z 327.1074, C15H19O8) and gave the same outcome provided a mass resolution of at least 27,000 is available. The anisatin signal was typically \\&gt;1000 times larger in Japanese star anise than in Chinese star anise thus allowing an unequivocal qualitative determination. Herbal teas containing star anise fragments too small to be visually recognised, could be analysed by preparing a tea in 6\\&\\#xa0;min and subsequently sampling ∼2\\&\\#xa0;μL of tea on a glass rod. None of the 8 investigated retail teas contained significant quantities of anisatin. Spiking a complex herbal tea containing Chinese star anise with an equally concentrated tea prepared from Japanese star anise provided a linear calibration curve (R2\\&\\#xa0;≥\\&\\#xa0;0.995) after normalising on a native constituent of Chinese star anise (standard addition method). This showed that adulteration down to 1\\% (w/w) is still measurable. Compared with existing PCR, TLC, GC–MS and HPLC–ESI-MS/MS procedures, the proposed DART–HRMS procedure is faster and simpler and moreover measures the actual biotoxin.},\n\tnumber = {0},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Shen, Yao and van Beek, Teris A. and Claassen, Frank W. and Zuilhof, Han and Chen, Bo and Nielen, Michel W.F.},\n\tyear = {2012},\n\tkeywords = {Anisatin, Biotoxin, DART, Food analysis, Star anise, mass spectrometry},\n}\n\n\n\n
\n
\n\n\n
\n After ingestion, products containing Chinese star anise (Illicium verum) contaminated or adulterated with Japanese star anise (Illicium anisatum) or other Illicium species, can cause epilepsy, hallucinations, and nausea due to the rare neurotoxic sesquiterpene dilactone anisatin that is present in Japanese star anise. Thus a rapid, simple and unambiguous method for distinguishing between the morphologically similar Chinese star anise and toxic Japanese star anise is important for food safety issues. Direct Analysis in Real Time (DART) ambient ionisation coupled with orbitrap high resolution mass spectrometry allowed the recording of mass spectra of anisatin in solid star anise fruits in seconds without any prior sample pretreatment. Spectra could be obtained in both positive ([M+NH4]+ at m/z 346.1496, C15H24NO8) and negative mode ([M−H]− at m/z 327.1074, C15H19O8) and gave the same outcome provided a mass resolution of at least 27,000 is available. The anisatin signal was typically >1000 times larger in Japanese star anise than in Chinese star anise thus allowing an unequivocal qualitative determination. Herbal teas containing star anise fragments too small to be visually recognised, could be analysed by preparing a tea in 6 min and subsequently sampling ∼2 μL of tea on a glass rod. None of the 8 investigated retail teas contained significant quantities of anisatin. Spiking a complex herbal tea containing Chinese star anise with an equally concentrated tea prepared from Japanese star anise provided a linear calibration curve (R2 ≥ 0.995) after normalising on a native constituent of Chinese star anise (standard addition method). This showed that adulteration down to 1% (w/w) is still measurable. Compared with existing PCR, TLC, GC–MS and HPLC–ESI-MS/MS procedures, the proposed DART–HRMS procedure is faster and simpler and moreover measures the actual biotoxin.\n
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\n \n\n \n \n \n \n \n \n Assessing the capabilities of direct analysis in real time mass spectrometry for 5-hydroxymethylfurfural quantitation in honey.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 314(0): 22–32. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AssessingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{chernetsova_assessing_2012,\n\ttitle = {Assessing the capabilities of direct analysis in real time mass spectrometry for 5-hydroxymethylfurfural quantitation in honey},\n\tvolume = {314},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380612000280},\n\tdoi = {10.1016/j.ijms.2012.01.012},\n\tabstract = {The limitations of direct analysis in real time mass spectrometry (DART-MS) were shown with the example of 5-hydroxymethylfurfural (HMF) quantitation in honey. An accurate analyte quantitation was impossible because the carbohydrate matrix partially degraded to the analyte in the ionization region. However, at a decreased DART temperature of 150\\&\\#xa0;°C, the DART-MS screening was possible using two spiked reference samples. The influence of instrumental parameters on the composition of the DART mass spectra for HMF and carbohydrates was investigated. Also, first data on scanning surface analysis with DART-MS were obtained giving rise for further studies in this direction.},\n\tnumber = {0},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tyear = {2012},\n\tkeywords = {5-Hydroxymethylfurfural, Carbohydrates, Direct analysis in real time mass spectrometry, Direct analysis in real time mass spectrometry; Honey; 5-Hydroxymethylfurfural; HMF; Carbohydrates; Screening assays, HMF, Honey, Screening},\n\tpages = {22--32},\n}\n\n\n\n
\n
\n\n\n
\n The limitations of direct analysis in real time mass spectrometry (DART-MS) were shown with the example of 5-hydroxymethylfurfural (HMF) quantitation in honey. An accurate analyte quantitation was impossible because the carbohydrate matrix partially degraded to the analyte in the ionization region. However, at a decreased DART temperature of 150 °C, the DART-MS screening was possible using two spiked reference samples. The influence of instrumental parameters on the composition of the DART mass spectra for HMF and carbohydrates was investigated. Also, first data on scanning surface analysis with DART-MS were obtained giving rise for further studies in this direction.\n
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\n \n\n \n \n \n \n \n \n Ambient analysis by thermal desorption atmospheric pressure photoionization.\n \n \n \n \n\n\n \n Jorabchi, K.; Hanold, K.; and Syage, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–8. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{jorabchi_ambient_2012,\n\ttitle = {Ambient analysis by thermal desorption atmospheric pressure photoionization},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-6536-z},\n\tdoi = {10.1007/s00216-012-6536-z},\n\tabstract = {Ambient mass spectrometry has attracted substantial attention in recent years. Among ambient ionization methods, thermal desorption ionization stands out because of two attributes: (1) simplicity, rendering the technique suitable for in-field applications, and (2) ability to couple with a variety of gas-phase ionization methods thereby broadening the range of molecules that can be analyzed with this method. Here, we report on improving the performance of a direct analysis in real time (DART) source by implementing atmospheric pressure photoionization (APPI) downstream of the desorption region. At identical desorption and ion sampling conditions, APPI leads to detection of radical molecular ions from non-polar compounds that are absent from the spectra generated by DART alone. Moreover, a factor of 3–5 improvement in sensitivity is observed using APPI for positive ions commonly detected by DART and DART-APPI. Using helium and nitrogen as desorption gases, APPI shows identical performance regardless of desorption gas type. In contrast, a dramatic decrease in sensitivity is observed for DART operated with nitrogen compared to DART with helium. Comparable performance for DART and DART-APPI are observed in negative ion mode, although both show a drastic improvement in the absence of the Vapur interface. This interface creates a differentially pumped chamber prior to inlet of the mass spectrometer and reduces the mass spectrometer gas load when helium is used as desorption gas.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Jorabchi, Kaveh and Hanold, Karl and Syage, Jack},\n\tmonth = nov,\n\tyear = {2012},\n\tkeywords = {Ambient mass spectrometry, Direct analysis in real time, Photoionization},\n\tpages = {1--8},\n}\n\n\n\n
\n
\n\n\n
\n Ambient mass spectrometry has attracted substantial attention in recent years. Among ambient ionization methods, thermal desorption ionization stands out because of two attributes: (1) simplicity, rendering the technique suitable for in-field applications, and (2) ability to couple with a variety of gas-phase ionization methods thereby broadening the range of molecules that can be analyzed with this method. Here, we report on improving the performance of a direct analysis in real time (DART) source by implementing atmospheric pressure photoionization (APPI) downstream of the desorption region. At identical desorption and ion sampling conditions, APPI leads to detection of radical molecular ions from non-polar compounds that are absent from the spectra generated by DART alone. Moreover, a factor of 3–5 improvement in sensitivity is observed using APPI for positive ions commonly detected by DART and DART-APPI. Using helium and nitrogen as desorption gases, APPI shows identical performance regardless of desorption gas type. In contrast, a dramatic decrease in sensitivity is observed for DART operated with nitrogen compared to DART with helium. Comparable performance for DART and DART-APPI are observed in negative ion mode, although both show a drastic improvement in the absence of the Vapur interface. This interface creates a differentially pumped chamber prior to inlet of the mass spectrometer and reduces the mass spectrometer gas load when helium is used as desorption gas.\n
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\n \n\n \n \n \n \n \n Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization.\n \n \n \n\n\n \n He, X.; Xie, Z.; Gao, Y.; Hu, W.; Guo, L.; Jiang, L.; and Lu, Y.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 67: 64–73. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{he_mass_2012,\n\ttitle = {Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization},\n\tvolume = {67},\n\tabstract = {Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {He, X.N. and Xie, Z.Q. and Gao, Y. and Hu, W. and Guo, L.B. and Jiang, L. and Lu, Y.F.},\n\tyear = {2012},\n\tkeywords = {LI-TOFMS; DART; Laser-induced plasma; LIBS; AccuTOF},\n\tpages = {64--73},\n}\n\n\n\n
\n
\n\n\n
\n Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.\n
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\n \n\n \n \n \n \n \n \n Analysis of isoflavones in soybeans employing direct analysis in real-time ionization–high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Lojza, J.; Cajka, T.; Schulzova, V.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Separation Science, 35(3): 476–481. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{lojza_analysis_2012,\n\ttitle = {Analysis of isoflavones in soybeans employing direct analysis in real-time ionization–high-resolution mass spectrometry},\n\tvolume = {35},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.201100882},\n\tdoi = {10.1002/jssc.201100882},\n\tabstract = {A direct analysis in real-time (DART) ion source coupled to a high-resolution orbitrap mass spectrometer was used for the quantitative analysis of isoflavones isolated from soybeans. For the isolation of genistein, daidzein, glycitein, and their respective acetyl, malonyl, and glucoside forms, an extraction employing 80\\% aqueous MeOH enhanced by sonication was used. As far as the total isoflavones (expressed as aglycones) were to be determined, an acid hydrolysis with 80\\% aqueous EtOH and refluxing had to be employed, while in the latter case a good agreement of the results with the data generated by the UHPLC-orbitrap MS method was achieved, in the case of the analysis of non-hydrolyzed extracts, some overestimation of the results as compared with those generated by UHPLC-orbitrap MS was observed. A careful investigation of this phenomenon showed that the free aglycones originated from the conjugated forms of isoflavones in the DART ion source, thus contributing significantly to the “free” genistein/daidzein/glycitein signals during the DART analysis. Good recoveries (95–102\\%) and repeatabilities (RSD: 7–15\\%) were obtained at the spiking levels of 0.5, 1, and 0.05 g/kg, for daidzein, genistein, and glycitein, respectively. The limits of detection estimated for the respective analytes were 5 mg/kg.},\n\tnumber = {3},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Lojza, Jaromir and Cajka, Tomas and Schulzova, Vera and Riddellova, Katerina and Hajslova, Jana},\n\tyear = {2012},\n\tkeywords = {Ambient mass spectrometry, Ambient mass spectrometry; Direct analysis in real time; Isoflavones; Phytoestrogens; Soybean; orbitrap, Direct analysis in real time, Isoflavones, Phytoestrogens, Soybean},\n\tpages = {476--481},\n}\n\n\n\n
\n
\n\n\n
\n A direct analysis in real-time (DART) ion source coupled to a high-resolution orbitrap mass spectrometer was used for the quantitative analysis of isoflavones isolated from soybeans. For the isolation of genistein, daidzein, glycitein, and their respective acetyl, malonyl, and glucoside forms, an extraction employing 80% aqueous MeOH enhanced by sonication was used. As far as the total isoflavones (expressed as aglycones) were to be determined, an acid hydrolysis with 80% aqueous EtOH and refluxing had to be employed, while in the latter case a good agreement of the results with the data generated by the UHPLC-orbitrap MS method was achieved, in the case of the analysis of non-hydrolyzed extracts, some overestimation of the results as compared with those generated by UHPLC-orbitrap MS was observed. A careful investigation of this phenomenon showed that the free aglycones originated from the conjugated forms of isoflavones in the DART ion source, thus contributing significantly to the “free” genistein/daidzein/glycitein signals during the DART analysis. Good recoveries (95–102%) and repeatabilities (RSD: 7–15%) were obtained at the spiking levels of 0.5, 1, and 0.05 g/kg, for daidzein, genistein, and glycitein, respectively. The limits of detection estimated for the respective analytes were 5 mg/kg.\n
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\n \n\n \n \n \n \n \n \n Sensitivity “Hot Spots” in the Direct Analysis in Real Time Mass Spectrometry of Nerve Agent Simulants.\n \n \n \n \n\n\n \n Harris, G. A.; Falcone, C. E.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 23(1): 153–161. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"SensitivityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{harris_sensitivity_2012,\n\ttitle = {Sensitivity “{Hot} {Spots}” in the {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} of {Nerve} {Agent} {Simulants}},\n\tvolume = {23},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-011-0276-8},\n\tdoi = {10.1007/s13361-011-0276-8},\n\tabstract = {Presented here are findings describing the spatial-dependence of sensitivity and ion suppression effects observed with direct analysis in real time (DART). Continuous liquid infusion of dimethyl methyl phosphonate (DMMP) revealed that ion yield “hot spots” did not always correspond with the highest temperature regions within the ionization space. For instance, at lower concentrations (50 and 100 μM), the highest sensitivities were in the middle of the ionization region at 200 °C where there was a shorter ion transport distance, and the heat available to thermally desorb neutrals was moderate. Conversely, at higher DMMP concentrations (500 μM), the highest ion yield was directly in front of the DART source at 200 °C where it was exposed to the highest temperature for thermal desorption. In matching experiments, differential analyte volatility was observed to play a smaller role in relative ion suppression than differences in proton affinity and the relative sampling positions of analytes. At equimolar concentrations sampled at the same position, suppression was as high as 26× between isoquinoline (proton affinity 952 kJ mol–1, boiling point 242 °C) and p-anisidine (proton affinity 900 kJ mol–1, boiling point 243 °C). This effect was exacerbated when sampling positions of the two analytes differed, reaching levels of relative suppression as high as 4543.0× ± 1406.0. To mitigate this level of relative ion suppression, sampling positions and molar ratios of the analytes were modified to create conditions in which ion suppression was negligible.},\n\tnumber = {1},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Harris, Glenn A. and Falcone, Caitlin E. and Fernández, Facundo M.},\n\tyear = {2012},\n\tkeywords = {Biomedical and Life Sciences, Direct analysis in real time (DART); Ambient MS; Ionization fundamentals; Ion suppression; Nerve agent simulants; AccuTOF},\n\tpages = {153--161},\n}\n\n\n\n
\n
\n\n\n
\n Presented here are findings describing the spatial-dependence of sensitivity and ion suppression effects observed with direct analysis in real time (DART). Continuous liquid infusion of dimethyl methyl phosphonate (DMMP) revealed that ion yield “hot spots” did not always correspond with the highest temperature regions within the ionization space. For instance, at lower concentrations (50 and 100 μM), the highest sensitivities were in the middle of the ionization region at 200 °C where there was a shorter ion transport distance, and the heat available to thermally desorb neutrals was moderate. Conversely, at higher DMMP concentrations (500 μM), the highest ion yield was directly in front of the DART source at 200 °C where it was exposed to the highest temperature for thermal desorption. In matching experiments, differential analyte volatility was observed to play a smaller role in relative ion suppression than differences in proton affinity and the relative sampling positions of analytes. At equimolar concentrations sampled at the same position, suppression was as high as 26× between isoquinoline (proton affinity 952 kJ mol–1, boiling point 242 °C) and p-anisidine (proton affinity 900 kJ mol–1, boiling point 243 °C). This effect was exacerbated when sampling positions of the two analytes differed, reaching levels of relative suppression as high as 4543.0× ± 1406.0. To mitigate this level of relative ion suppression, sampling positions and molar ratios of the analytes were modified to create conditions in which ion suppression was negligible.\n
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\n \n\n \n \n \n \n \n \n Coupling of planar chromatography with Direct Analysis in Real Time mass spectrometry.\n \n \n \n \n\n\n \n Morlock, G.; and Chernetsova, E.\n\n\n \n\n\n\n Central European Journal of Chemistry, 10(3): 703–710. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"CouplingPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{morlock_coupling_2012,\n\ttitle = {Coupling of planar chromatography with {Direct} {Analysis} in {Real} {Time} mass spectrometry},\n\tvolume = {10},\n\tissn = {1895-1066},\n\turl = {http://dx.doi.org/10.2478/s11532-012-0025-2},\n\tabstract = {Direct Analysis in Real Time mass spectrometry (DART-MS) is an emerging and rapidly developing area of ambient desorption ionization mass spectrometric techniques. Its coupling with planar chromatography is especially promising, as compared to other ambient desorption ionization techniques, because it does not require the use of liquids that may distort the shape of a spot by diffusion effects. In the first publications on TLC/HPTLC-DART-MS, due to the fixed, horizontally aligned supply of the gas flow from the DART ionization source to the MS inlet, the introduction of HPTLC/TLC plates as cut strips was inconvenient for quantitation, and the repeatability was very low due to the manual positioning. Recently a new version of the DART ion source was suggested, which allows adjusting the angle of the DART gas stream and the use of a motorized rail, thereby, improving highly the capabilities of TLC/HPTLC-DART-MS. This comprehensive review describes the development and analytical capabilities of TLC/HPTLC-DART-MS, and the general DART-MS perspectives for surface analysis or imaging MS.},\n\tnumber = {3},\n\tjournal = {Central European Journal of Chemistry},\n\tauthor = {Morlock, Gertrud and Chernetsova, Elena},\n\tyear = {2012},\n\tpages = {703--710},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time mass spectrometry (DART-MS) is an emerging and rapidly developing area of ambient desorption ionization mass spectrometric techniques. Its coupling with planar chromatography is especially promising, as compared to other ambient desorption ionization techniques, because it does not require the use of liquids that may distort the shape of a spot by diffusion effects. In the first publications on TLC/HPTLC-DART-MS, due to the fixed, horizontally aligned supply of the gas flow from the DART ionization source to the MS inlet, the introduction of HPTLC/TLC plates as cut strips was inconvenient for quantitation, and the repeatability was very low due to the manual positioning. Recently a new version of the DART ion source was suggested, which allows adjusting the angle of the DART gas stream and the use of a motorized rail, thereby, improving highly the capabilities of TLC/HPTLC-DART-MS. This comprehensive review describes the development and analytical capabilities of TLC/HPTLC-DART-MS, and the general DART-MS perspectives for surface analysis or imaging MS.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Validation of a Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for the quantitation of six carbon sugars in a saccharification matrix.\n \n \n \n \n\n\n \n Saang'onyo, D.; Selby, G.; and Smith, D. L.\n\n\n \n\n\n\n Anal. Methods. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{saangonyo_validation_2012,\n\ttitle = {Validation of a {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) method for the quantitation of six carbon sugars in a saccharification matrix},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C2AY25337B},\n\tabstract = {A Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for quantitation of six carbon sugars in saccharification matrix (solution used for the enzyme hydrolysis of switchgrass) was developed and validated. The DART ion source was used to produce ammonium adducts of the spiked glucose molecular ion and the d2-glucose (internal standard) that were detected by scanning with a linear ion trap. Calibration curves were obtained over a linear range of 10 to 3000 [small mu ]M with correlation coefficients better than 0.997 and method recoveries were 94.9\\% to 103.0\\%. Matrix effects were observed and managed with matrix-matching standards for generating calibration curves. Limits of detection and quantitation were 5.84 [times] 10-6 M and 1.95 [times] 10-5 M, respectively. These results indicate this method could be implemented for quantitation of glucose generated from saccharification samples.},\n\tjournal = {Anal. Methods},\n\tauthor = {Saang'onyo, Daudi and Selby, Gary and Smith, Darrin L.},\n\tyear = {2012},\n}\n\n\n\n
\n
\n\n\n
\n A Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for quantitation of six carbon sugars in saccharification matrix (solution used for the enzyme hydrolysis of switchgrass) was developed and validated. The DART ion source was used to produce ammonium adducts of the spiked glucose molecular ion and the d2-glucose (internal standard) that were detected by scanning with a linear ion trap. Calibration curves were obtained over a linear range of 10 to 3000 [small mu ]M with correlation coefficients better than 0.997 and method recoveries were 94.9% to 103.0%. Matrix effects were observed and managed with matrix-matching standards for generating calibration curves. Limits of detection and quantitation were 5.84 [times] 10-6 M and 1.95 [times] 10-5 M, respectively. These results indicate this method could be implemented for quantitation of glucose generated from saccharification samples.\n
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\n \n\n \n \n \n \n \n \n Rapid classification of White Oak (Quercus alba) and Northern Red Oak (Quercus rubra) by using pyrolysis direct analysis in real time (DART™) and time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Cody, R. B.; Dane, A. J.; Dawson-Andoh, B.; Adedipe, E. O.; and Nkansah, K.\n\n\n \n\n\n\n Journal of Analytical and Applied Pyrolysis, 95(0): 134–137. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cody_rapid_2012,\n\ttitle = {Rapid classification of {White} {Oak} ({Quercus} alba) and {Northern} {Red} {Oak} ({Quercus} rubra) by using pyrolysis direct analysis in real time ({DART}™) and time-of-flight mass spectrometry},\n\tvolume = {95},\n\tissn = {0165-2370},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0165237012000204},\n\tdoi = {10.1016/j.jaap.2012.01.018},\n\tabstract = {Thirty-four samples of Red Oak (Quercus rubra) and fifty samples of White Oak (Quercus alba) were analyzed by pyrolytic direct analysis in real time (DART) ionization coupled with time-of-flight (TOF) mass spectrometry. Although significant differences were not observed in the positive-ion mass spectra, the negative-ion mass spectra showed clear differences. Principal component analysis (PCA) and linear discriminant analysis (LDA) were calculated for the relative abundances of 11 peaks in the negative-ion mass spectra including peaks tentatively assigned as representing deprotonated acetic, malic, gallic, dimethoxycinnamic, and ellagic acids. Leave one out cross validation (LOOCV) was 100\\% successful in classifying the samples for both PCA and LDA.},\n\tnumber = {0},\n\tjournal = {Journal of Analytical and Applied Pyrolysis},\n\tauthor = {Cody, Robert B. and Dane, A. John and Dawson-Andoh, Benjamin and Adedipe, Emmanuel Oluwatosin and Nkansah, Kofi},\n\tyear = {2012},\n\tkeywords = {AccuTOF, Ambient ionization, Direct analysis in real time, Red oak, Time-of-flight, White oak},\n\tpages = {134--137},\n}\n\n\n\n
\n
\n\n\n
\n Thirty-four samples of Red Oak (Quercus rubra) and fifty samples of White Oak (Quercus alba) were analyzed by pyrolytic direct analysis in real time (DART) ionization coupled with time-of-flight (TOF) mass spectrometry. Although significant differences were not observed in the positive-ion mass spectra, the negative-ion mass spectra showed clear differences. Principal component analysis (PCA) and linear discriminant analysis (LDA) were calculated for the relative abundances of 11 peaks in the negative-ion mass spectra including peaks tentatively assigned as representing deprotonated acetic, malic, gallic, dimethoxycinnamic, and ellagic acids. Leave one out cross validation (LOOCV) was 100% successful in classifying the samples for both PCA and LDA.\n
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\n \n\n \n \n \n \n \n Confined direct analysis in real time ion source and its applications in analysis of volatile organic compounds of Citrus limon (lemon) and Allium cepa (onion).\n \n \n \n\n\n \n Li, Y.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(10): 1194–1202. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{li_confined_2012,\n\ttitle = {Confined direct analysis in real time ion source and its applications in analysis of volatile organic compounds of {Citrus} limon (lemon) and {Allium} cepa (onion)},\n\tvolume = {26},\n\tdoi = {10.1002/rcm.6217},\n\tabstract = {The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique that enables efficient ionization of gases, liquids and solids with high throughput. A major limit to its wider application in the analysis of gases is its poor detection sensitivity caused by open-air sampling. In this study, a confined interface between the DART ion source outlet and mass spectrometer sampling orifice was developed, where the plasma generated by the atmospheric pressure glow discharge collides and ionizes gas-phase molecules in a Tee-shaped flow tube instead of in open air. It leads to significant increase of collision reaction probability between high energy metastable molecules and analytes. The experimental results show that the ionization efficiency was increased at least by two orders of magnitude. This technique was then applied in the real time analysis of volatile organic compounds (VOCs) of Citrus Limon (lemon) and wounded Allium Cepa (onion). The confined DART ion source was proved to be a powerful tool for the studies of plant metabolomics.},\n\tnumber = {10},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Li, Y.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1194--1202},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique that enables efficient ionization of gases, liquids and solids with high throughput. A major limit to its wider application in the analysis of gases is its poor detection sensitivity caused by open-air sampling. In this study, a confined interface between the DART ion source outlet and mass spectrometer sampling orifice was developed, where the plasma generated by the atmospheric pressure glow discharge collides and ionizes gas-phase molecules in a Tee-shaped flow tube instead of in open air. It leads to significant increase of collision reaction probability between high energy metastable molecules and analytes. The experimental results show that the ionization efficiency was increased at least by two orders of magnitude. This technique was then applied in the real time analysis of volatile organic compounds (VOCs) of Citrus Limon (lemon) and wounded Allium Cepa (onion). The confined DART ion source was proved to be a powerful tool for the studies of plant metabolomics.\n
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\n \n\n \n \n \n \n \n \n Biomarkers of Whale Shark Health: A Metabolomic Approach.\n \n \n \n \n\n\n \n Dove, A. D. M.; Leisen, J.; Zhou, M.; Byrne, J. J.; Lim-Hing, K.; Webb, H. D.; Gelbaum, L.; Viant, M. R.; Kubanek, J.; and Fernández, F. M.\n\n\n \n\n\n\n PLoS ONE, 7(11): e49379. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"BiomarkersPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{dove_biomarkers_2012,\n\ttitle = {Biomarkers of {Whale} {Shark} {Health}: {A} {Metabolomic} {Approach}},\n\tvolume = {7},\n\turl = {http://dx.doi.org/10.1371%2Fjournal.pone.0049379},\n\tdoi = {10.1371/journal.pone.0049379},\n\tabstract = {In a search for biomarkers of health in whale sharks and as exploration of metabolomics as a modern tool for understanding animal physiology, the metabolite composition of serum in six whale sharks (Rhincodon typus) from an aquarium collection was explored using 1H nuclear magnetic resonance (NMR) spectroscopy and direct analysis in real time (DART) mass spectrometry (MS). Principal components analysis (PCA) of spectral data showed that individual animals could be resolved based on the metabolite composition of their serum and that two unhealthy individuals could be discriminated from the remaining healthy animals. The major difference between healthy and unhealthy individuals was the concentration of homarine, here reported for the first time in an elasmobranch, which was present at substantially lower concentrations in unhealthy whale sharks, suggesting that this metabolite may be a useful biomarker of health status in this species. The function(s) of homarine in sharks remain uncertain but it likely plays a significant role as an osmolyte. The presence of trimethylamine oxide (TMAO), another well-known protective osmolyte of elasmobranchs, at 0.1–0.3 mol L−1 was also confirmed using both NMR and MS. Twenty-three additional potential biomarkers were identified based on significant differences in the frequency of their occurrence between samples from healthy and unhealthy animals, as detected by DART MS. Overall, NMR and MS provided complementary data that showed that metabolomics is a useful approach for biomarker prospecting in poorly studied species like elasmobranchs.},\n\tnumber = {11},\n\tjournal = {PLoS ONE},\n\tauthor = {Dove, Alistair D. M. and Leisen, Johannes and Zhou, Manshui and Byrne, Jonathan J. and Lim-Hing, Krista and Webb, Harry D. and Gelbaum, Leslie and Viant, Mark R. and Kubanek, Julia and Fernández, Facundo M.},\n\tmonth = nov,\n\tyear = {2012},\n\tpages = {e49379},\n}\n\n\n\n
\n
\n\n\n
\n In a search for biomarkers of health in whale sharks and as exploration of metabolomics as a modern tool for understanding animal physiology, the metabolite composition of serum in six whale sharks (Rhincodon typus) from an aquarium collection was explored using 1H nuclear magnetic resonance (NMR) spectroscopy and direct analysis in real time (DART) mass spectrometry (MS). Principal components analysis (PCA) of spectral data showed that individual animals could be resolved based on the metabolite composition of their serum and that two unhealthy individuals could be discriminated from the remaining healthy animals. The major difference between healthy and unhealthy individuals was the concentration of homarine, here reported for the first time in an elasmobranch, which was present at substantially lower concentrations in unhealthy whale sharks, suggesting that this metabolite may be a useful biomarker of health status in this species. The function(s) of homarine in sharks remain uncertain but it likely plays a significant role as an osmolyte. The presence of trimethylamine oxide (TMAO), another well-known protective osmolyte of elasmobranchs, at 0.1–0.3 mol L−1 was also confirmed using both NMR and MS. Twenty-three additional potential biomarkers were identified based on significant differences in the frequency of their occurrence between samples from healthy and unhealthy animals, as detected by DART MS. Overall, NMR and MS provided complementary data that showed that metabolomics is a useful approach for biomarker prospecting in poorly studied species like elasmobranchs.\n
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\n \n\n \n \n \n \n \n \n Estimation of camptothecin and pharmacological evaluation of Ophiorrhiza prostrata D. Don and Ophiorrhiza mungos L.\n \n \n \n \n\n\n \n Krishnakumar, G; Rameshkumar, K.; Srinivas, P.; Satheeshkumar, K; and Krishnan, P.\n\n\n \n\n\n\n Asian Pacific Journal of Tropical Biomedicine, 2(2, Supplement): S727–S731. February 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EstimationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{krishnakumar_estimation_2012,\n\ttitle = {Estimation of camptothecin and pharmacological evaluation of {Ophiorrhiza} prostrata {D}. {Don} and {Ophiorrhiza} mungos {L}.},\n\tvolume = {2},\n\tissn = {2221-1691},\n\turl = {http://www.sciencedirect.com/science/article/pii/S2221169112603049},\n\tdoi = {10.1016/S2221-1691(12)60304-9},\n\tabstract = {Objective \nTo carry out the qualitative and quantitative evaluation of camptothecin, estimation of total phenolic compounds and evaluation of in vitro antioxidant activity and cytotoxic activity of Ophiorrhiza prostrata and Ophiorrhiza mungos. \nMethods \nDirect Analysis in Real Time- Mass Spectrometry (DART-MS) was employed for the detection of camptothecin in the Ophiorrhiza species, while high performance thin layer chromatography (HPTLC) was used for the estimation of camptothecin. Total phenolic compounds were estimated by modified Folins-Ciocalteu's reagent method. Antioxidant activity was evaluated through DPPH radical, hydroxyl radical, superoxide radical scavenging assays and reducing power assay. The cytotoxicity evaluation was performed using MTT assay on MCF-7 cell lines. \nResults \nThe presence of camptothecin was confirmed in both the species by the [M++H] peak at 349 by DART-MS analysis. Camptothecin content was estimated as 1.47 μg/gm (dry wt) in O. prostrata and 188.60 μg/gm (dry wt) in O. mungos using HPTLC method. The moderate in vitro antioxidant activities of the methanol extracts corroborates with the low content of phenolic compounds in O. prostrata (9.88 GAE mg/g) and O. mungos (12.73 GAE mg/g). The methanol extract of O. prostrata exhibited remarkable cytotoxicity on human breast cancer cell lines (MCF-7), with IC50 value 1.10μg/mL compared to O. mungos (3.48μg/mL) and standard camptothecin (3.51μg/mL). \nConclusions \nThe application of DART-MS proved to be a simple and rapid technique for the detection of camptothecin in Ophiorrhiza species. The higher cytotoxicity for O. prostrata, despite the low content of camptothecin suggests the presence of other potential cytotoxic compounds in O. prostrata.},\n\tnumber = {2, Supplement},\n\tjournal = {Asian Pacific Journal of Tropical Biomedicine},\n\tauthor = {Krishnakumar, G and Rameshkumar, KB and Srinivas, Priya and Satheeshkumar, K and Krishnan, PN},\n\tmonth = feb,\n\tyear = {2012},\n\tkeywords = {Antioxidant activity, Camptothecin, Cytotoxicity, DART-MS analysis, HPTLC estimation, Ophiorrhiza mungos, Ophiorrhiza prostrata},\n\tpages = {S727--S731},\n}\n\n\n\n
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\n Objective To carry out the qualitative and quantitative evaluation of camptothecin, estimation of total phenolic compounds and evaluation of in vitro antioxidant activity and cytotoxic activity of Ophiorrhiza prostrata and Ophiorrhiza mungos. Methods Direct Analysis in Real Time- Mass Spectrometry (DART-MS) was employed for the detection of camptothecin in the Ophiorrhiza species, while high performance thin layer chromatography (HPTLC) was used for the estimation of camptothecin. Total phenolic compounds were estimated by modified Folins-Ciocalteu's reagent method. Antioxidant activity was evaluated through DPPH radical, hydroxyl radical, superoxide radical scavenging assays and reducing power assay. The cytotoxicity evaluation was performed using MTT assay on MCF-7 cell lines. Results The presence of camptothecin was confirmed in both the species by the [M++H] peak at 349 by DART-MS analysis. Camptothecin content was estimated as 1.47 μg/gm (dry wt) in O. prostrata and 188.60 μg/gm (dry wt) in O. mungos using HPTLC method. The moderate in vitro antioxidant activities of the methanol extracts corroborates with the low content of phenolic compounds in O. prostrata (9.88 GAE mg/g) and O. mungos (12.73 GAE mg/g). The methanol extract of O. prostrata exhibited remarkable cytotoxicity on human breast cancer cell lines (MCF-7), with IC50 value 1.10μg/mL compared to O. mungos (3.48μg/mL) and standard camptothecin (3.51μg/mL). Conclusions The application of DART-MS proved to be a simple and rapid technique for the detection of camptothecin in Ophiorrhiza species. The higher cytotoxicity for O. prostrata, despite the low content of camptothecin suggests the presence of other potential cytotoxic compounds in O. prostrata.\n
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\n \n\n \n \n \n \n \n \n Online Coupling of Capillary Electrophoresis with Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Chang, C.; Xu, G.; Bai, Y.; Zhang, C.; Li, X.; Li, M.; Liu, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical Chemistry. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"OnlinePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chang_online_2012,\n\ttitle = {Online {Coupling} of {Capillary} {Electrophoresis} with {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac303450v},\n\tdoi = {10.1021/ac303450v},\n\tabstract = {The online coupling of capillary electrophoresis with ambient direct analysis in real time mass spectrometry (DART-MS) was realized by a coaxial tip interface. The analytes eluted from CE were directly ionized by the metastable helium flux produced by DART and transferred into MS for the detection, with which the online separation and simultaneous detection were achieved. The CE-DART-MS can tolerate higher concentrations of detergents and salts than traditional CE-ESI-MS and avoided the difficulties of collecting CE effluent and cleaning the interface, which simplified the experimental procedures and shortened the analysis time. The performance of the technique was successfully verified by capillary zone electrophoresis (CZE) and micellar electrokinetic chromatography (MEKC) using a mixture of 4-aminoantipyrine, zolmitriptan and quinine. This online technique showed good repeatability with the RSDs (n=5) of 0.56{\\textasciitilde}1.23\\% for the retention times and 2.01{\\textasciitilde}7.41\\% for the peak areas. The quantitative analysis of 4-aminoantipyrine was accomplished in the range of 0.01{\\textasciitilde}0.50 mg/mL with the linear correlation coefficient of 0.9995 and limit of detection of 14.7 fmol. Compared with CE-ESI-MS, the ion suppression effects of non-volatile salts and detergents were efficiently minimized. The signal intensity remained constant when the concentrations reached 100 mM for sodium borate and 30 mM for SDS (in 30 mM sodium borate buffer). In addition, the proposed method was successfully applied to the detection of the endogenous caffeine in the Chinese white tea.},\n\turldate = {2012-12-04},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Chang, Cuilan and Xu, Gege and Bai, Yu and Zhang, Chengsen and Li, Xianjiang and Li, Min and Liu, Yi and Liu, Huwei},\n\tmonth = nov,\n\tyear = {2012},\n}\n\n\n\n
\n
\n\n\n
\n The online coupling of capillary electrophoresis with ambient direct analysis in real time mass spectrometry (DART-MS) was realized by a coaxial tip interface. The analytes eluted from CE were directly ionized by the metastable helium flux produced by DART and transferred into MS for the detection, with which the online separation and simultaneous detection were achieved. The CE-DART-MS can tolerate higher concentrations of detergents and salts than traditional CE-ESI-MS and avoided the difficulties of collecting CE effluent and cleaning the interface, which simplified the experimental procedures and shortened the analysis time. The performance of the technique was successfully verified by capillary zone electrophoresis (CZE) and micellar electrokinetic chromatography (MEKC) using a mixture of 4-aminoantipyrine, zolmitriptan and quinine. This online technique showed good repeatability with the RSDs (n=5) of 0.56~1.23% for the retention times and 2.01~7.41% for the peak areas. The quantitative analysis of 4-aminoantipyrine was accomplished in the range of 0.01~0.50 mg/mL with the linear correlation coefficient of 0.9995 and limit of detection of 14.7 fmol. Compared with CE-ESI-MS, the ion suppression effects of non-volatile salts and detergents were efficiently minimized. The signal intensity remained constant when the concentrations reached 100 mM for sodium borate and 30 mM for SDS (in 30 mM sodium borate buffer). In addition, the proposed method was successfully applied to the detection of the endogenous caffeine in the Chinese white tea.\n
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\n \n\n \n \n \n \n \n \n Novel approaches to analysis of 3-chloropropane-1,2-diol esters in vegetable oils.\n \n \n \n \n\n\n \n Moravcova, E.; Vaclavik, L.; Lacina, O.; Hrbek, V.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 402(9): 2871–2883. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"NovelPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{moravcova_novel_2012,\n\ttitle = {Novel approaches to analysis of 3-chloropropane-1,2-diol esters in vegetable oils},\n\tvolume = {402},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5732-1},\n\tdoi = {10.1007/s00216-012-5732-1},\n\tabstract = {A sensitive and accurate method utilizing ultra-high performance liquid chromatography (U-HPLC) coupled to high resolution mass spectrometry based on orbitrap technology (orbitrapMS) for the analysis of nine 3-chloropropane-1,2-diol (3-MCPD) diesters in vegetable oils was developed. To remove the interfering triacylglycerols that induce strong matrix effects, a clean-up step on silica gel column was used. The quantitative analysis was performed with the use of deuterium-labeled internal standards. The lowest calibration levels estimated for the respective analytes ranged from 2 to 5 μg kg −1 . Good recovery values (89–120\\%) and repeatability (RSD 5–9\\%) was obtained at spiking levels of 2 and 10 mg kg −1 . As an alternative, a novel ambient desorption ionization technique, direct analysis in real time (DART), hyphenated with orbitrapMS, was employed for no separation, high-throughput, semi-quantitative screening of 3-MCPD diesters in samples obtained by chromatographic fractionation. Additionally, the levels of 3-MCPD diesters measured in real-life vegetable oil samples (palm oil, sunflower oil, rapeseed oil) using both methods are reported. Relatively good agreement of the data generated by U-HPLC-orbitrapMS and DART-orbitrapMS were observed. With regard to a low ionization yield achieved for 3-MCPD monoesters, the methods presented in this paper were not yet applicable for the analysis of these contaminants at the naturally occurring levels.},\n\tnumber = {9},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Moravcova, Eliska and Vaclavik, Lukas and Lacina, Ondrej and Hrbek, Vojtech and Riddellova, Katerina and Hajslova, Jana},\n\tyear = {2012},\n\tkeywords = {3-MCPD esters; Vegetable oils; U-HPLC-MS; DART-MS; orbitrap, Chemistry and Materials Science},\n\tpages = {2871--2883},\n}\n\n\n\n\n\n\n\n
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\n A sensitive and accurate method utilizing ultra-high performance liquid chromatography (U-HPLC) coupled to high resolution mass spectrometry based on orbitrap technology (orbitrapMS) for the analysis of nine 3-chloropropane-1,2-diol (3-MCPD) diesters in vegetable oils was developed. To remove the interfering triacylglycerols that induce strong matrix effects, a clean-up step on silica gel column was used. The quantitative analysis was performed with the use of deuterium-labeled internal standards. The lowest calibration levels estimated for the respective analytes ranged from 2 to 5 μg kg −1 . Good recovery values (89–120%) and repeatability (RSD 5–9%) was obtained at spiking levels of 2 and 10 mg kg −1 . As an alternative, a novel ambient desorption ionization technique, direct analysis in real time (DART), hyphenated with orbitrapMS, was employed for no separation, high-throughput, semi-quantitative screening of 3-MCPD diesters in samples obtained by chromatographic fractionation. Additionally, the levels of 3-MCPD diesters measured in real-life vegetable oil samples (palm oil, sunflower oil, rapeseed oil) using both methods are reported. Relatively good agreement of the data generated by U-HPLC-orbitrapMS and DART-orbitrapMS were observed. With regard to a low ionization yield achieved for 3-MCPD monoesters, the methods presented in this paper were not yet applicable for the analysis of these contaminants at the naturally occurring levels.\n
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\n \n\n \n \n \n \n \n \n Argon Direct Analysis in Real Time (Ar-DART) Mass Spectrometry in Conjunction with Make-Up Solvents: A Novel Method for Analysis of Labile Compounds.\n \n \n \n \n\n\n \n Yang, H.; Wan, D.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytical Chemistry. December 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ArgonPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{yang_argon_2012,\n\ttitle = {Argon {Direct} {Analysis} in {Real} {Time} ({Ar}-{DART}) {Mass} {Spectrometry} in {Conjunction} with {Make}-{Up} {Solvents}: {A} {Novel} {Method} for {Analysis} of {Labile} {Compounds}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3026543},\n\tdoi = {10.1021/ac3026543},\n\tabstract = {Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with make-up solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a make-up solvent (absolute ethyl alcohol, methanol, fluorobenzene or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.},\n\turldate = {2013-01-04},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Yang, Hongmei and Wan, Debin and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tmonth = dec,\n\tyear = {2012},\n}\n\n\n\n
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\n Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with make-up solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a make-up solvent (absolute ethyl alcohol, methanol, fluorobenzene or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.\n
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\n \n\n \n \n \n \n \n Ambient mass spectrometry for extractionless analyses of plants: Holy Grail, useful tool or hoax?.\n \n \n \n\n\n \n van Beek, T.; Shen, Y; Verweij, T; Villela, A; and Claassen, F\n\n\n \n\n\n\n Planta Med, 78(11): CL44. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{van_beek_ambient_2012,\n\ttitle = {Ambient mass spectrometry for extractionless analyses of plants: {Holy} {Grail}, useful tool or hoax?},\n\tvolume = {78},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0032-1320279},\n\tabstract = {Ambient mass spectrometry allows sampling on your benchtop at atmospheric pressure and often without any sample preparation. A short overview of ambient MS is given including ionisation mechanisms and new exciting developments such as leaf spray. Direct Analysis in Real Time (DART) and Desorption Electrospray Ionisation (DESI) applications from the author's group in the field of natural products chemistry are presented. In particular DART-MS is a versatile, easy to handle and fast technique allowing even quantitative measurements of secondary plant metabolites such as alkaloids, terpenes (Ginkgo, star anise) and flavonoids. Fig. A shows the DART-MS of toxic Japanese star anise with a clear peak for the neurotoxin anisatin at m/z 327.107. Chinese star anise lacks this peak (Fig. B). This result was obtained in seconds without any sample preparation. In combination with high-resolution MS it can be used for quality control, adulteration detection, metabolomics and screening of herbal products. It can also be hyphenated to HPLC or TLC. A comparison of DART and DESI-MS in terms of scope, figures of merit and limitations is made.},\n\tnumber = {11},\n\tjournal = {Planta Med},\n\tauthor = {van Beek, TA and Shen, Y and Verweij, T and Villela, A and Claassen, F},\n\tyear = {2012},\n\tpages = {CL44},\n}\n\n\n\n
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\n Ambient mass spectrometry allows sampling on your benchtop at atmospheric pressure and often without any sample preparation. A short overview of ambient MS is given including ionisation mechanisms and new exciting developments such as leaf spray. Direct Analysis in Real Time (DART) and Desorption Electrospray Ionisation (DESI) applications from the author's group in the field of natural products chemistry are presented. In particular DART-MS is a versatile, easy to handle and fast technique allowing even quantitative measurements of secondary plant metabolites such as alkaloids, terpenes (Ginkgo, star anise) and flavonoids. Fig. A shows the DART-MS of toxic Japanese star anise with a clear peak for the neurotoxin anisatin at m/z 327.107. Chinese star anise lacks this peak (Fig. B). This result was obtained in seconds without any sample preparation. In combination with high-resolution MS it can be used for quality control, adulteration detection, metabolomics and screening of herbal products. It can also be hyphenated to HPLC or TLC. A comparison of DART and DESI-MS in terms of scope, figures of merit and limitations is made.\n
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\n \n\n \n \n \n \n \n \n Direct mass spectrometric detection of trace explosives in soil samples.\n \n \n \n \n\n\n \n Ma, L.; Xin, B.; and Chen, Y.\n\n\n \n\n\n\n The Analyst, 137(7): 1730. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{ma_direct_2012,\n\ttitle = {Direct mass spectrometric detection of trace explosives in soil samples},\n\tvolume = {137},\n\tissn = {0003-2654, 1364-5528},\n\turl = {http://xlink.rsc.org/?DOI=c2an16058g},\n\tdoi = {10.1039/c2an16058g},\n\tlanguage = {en},\n\tnumber = {7},\n\turldate = {2016-02-02},\n\tjournal = {The Analyst},\n\tauthor = {Ma, Lipo and Xin, Bin and Chen, Yi},\n\tyear = {2012},\n\tpages = {1730},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n ID-CUBE direct analysis in real time high-resolution mass spectrometry and its capabilities in the identification of phenolic components from the green leaves of Bergenia crassifolia L.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Crawford, E. A.; Shikov, A. N.; Pozharitskaya, O. N.; Makarov, V. G.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(11): 1329–1337. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ID-CUBEPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{chernetsova_id-cube_2012,\n\ttitle = {{ID}-{CUBE} direct analysis in real time high-resolution mass spectrometry and its capabilities in the identification of phenolic components from the green leaves of {Bergenia} crassifolia {L}.},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6226},\n\tdoi = {10.1002/rcm.6226},\n\tabstract = {RATIONALE\nBergenia crassifolia is a plant widely used in herbal medicine. Its chemical composition has been little studied, and no studies using high-resolution mass spectrometry (HRMS) have been performed. Its phenolic components are of particular interest, due to the interest in such compounds in medicine and cosmetics. The ID-CUBE, a simplified Direct Analysis in Real Time (DART) ion source, suitable for the fast MS analysis of liquids without complex sample preparation, offers a new method of studying extracts of such plant. Coupling the ID-CUBE with a high-resolution mass spectrometer can provide identification of extract components. \nMETHODS\nMass spectral conditions were optimized for model solutions of the flavonoid naringenin and used for the identification of phenolic compounds in green leaves extracts of Bergenia crassifolia. OpenSpot sample cards with a metal grid surface were used for sample introduction into the ID-CUBE ion source on an Obitrap mass spectrometer. The samples were applied as 5-μL aliquots of the extract onto the metal grid of the card. Sample ionization was stimulated in the ion source within 20 s by applying an electric current to the metal grid to thermally desorb the analytes into the gas flow of metastable helium atoms from the ID-CUBE. \nRESULTS\nElemental compositions were assigned to abundant ions in the mass spectra of the extracts. The major phenolic components were confirmed by their [M–H]– ions. Thirty-six other marker ions were found, and elemental compositions were suggested for 30\\% of them, based on a search for compounds found in herbal extracts. \nCONCLUSIONS\nThe ID-CUBE–Orbitrap MS coupling allowed the rapid accurate mass determination of the phenolic components (and other compounds) in herbal extracts. Higher confidence in component identification could be provided by using additional structural elucidation methods, including tandem mass spectrometry (MS/MS), and this will be the focus of future studies. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {11},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Crawford, Elizabeth A. and Shikov, Alexander N. and Pozharitskaya, Olga N. and Makarov, Valery G. and Morlock, Gertrud E.},\n\tyear = {2012},\n\tpages = {1329--1337},\n}\n\n\n\n
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\n\n\n
\n RATIONALE Bergenia crassifolia is a plant widely used in herbal medicine. Its chemical composition has been little studied, and no studies using high-resolution mass spectrometry (HRMS) have been performed. Its phenolic components are of particular interest, due to the interest in such compounds in medicine and cosmetics. The ID-CUBE, a simplified Direct Analysis in Real Time (DART) ion source, suitable for the fast MS analysis of liquids without complex sample preparation, offers a new method of studying extracts of such plant. Coupling the ID-CUBE with a high-resolution mass spectrometer can provide identification of extract components. METHODS Mass spectral conditions were optimized for model solutions of the flavonoid naringenin and used for the identification of phenolic compounds in green leaves extracts of Bergenia crassifolia. OpenSpot sample cards with a metal grid surface were used for sample introduction into the ID-CUBE ion source on an Obitrap mass spectrometer. The samples were applied as 5-μL aliquots of the extract onto the metal grid of the card. Sample ionization was stimulated in the ion source within 20 s by applying an electric current to the metal grid to thermally desorb the analytes into the gas flow of metastable helium atoms from the ID-CUBE. RESULTS Elemental compositions were assigned to abundant ions in the mass spectra of the extracts. The major phenolic components were confirmed by their [M–H]– ions. Thirty-six other marker ions were found, and elemental compositions were suggested for 30% of them, based on a search for compounds found in herbal extracts. CONCLUSIONS The ID-CUBE–Orbitrap MS coupling allowed the rapid accurate mass determination of the phenolic components (and other compounds) in herbal extracts. Higher confidence in component identification could be provided by using additional structural elucidation methods, including tandem mass spectrometry (MS/MS), and this will be the focus of future studies. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry with collision-induced dissociation for structural analysis of synthetic cannabinoids.\n \n \n \n \n\n\n \n Musah, R. A.; Domin, M. A.; Cody, R. B.; Lesiak, A. D.; John Dane, A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(19): 2335–2342. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{musah_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry with collision-induced dissociation for structural analysis of synthetic cannabinoids},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6354},\n\tdoi = {10.1002/rcm.6354},\n\tabstract = {RATIONALE\n\nThe emergence of numerous cannabinoid designer drugs has been tied to large spikes in emergency room visits and overdoses. Identifying these substances is difficult for the following reasons: (1) the compounds are novel, closely structurally related, and do not usually test positive in drug screens; (2) novel analogs rapidly appear on the market; (3) no standard protocols exist for their identification; and (4) customized and extensive sample preparation/extraction and analysis procedures are required to demonstrate their presence. \n\nMETHODS\n\nDirect analysis in real time mass spectrometry (DART-MS) employing collision-induced dissociation (CID) provided confirmatory structural information that was useful in characterizing the various cannabinoid analogs, including those contained in mixtures. CID analysis illustrated that, although closely related compounds fragment in a similar fashion, their structural differences still resulted in multiple diagnostic peaks that provided additional confidence towards structural identification. \n\nRESULTS\n\nDART-MS spectra were acquired under CID conditions to rapidly differentiate among five synthetic cannabinoids contained within 'herbal' products purchased locally in New York State (USA). The spectra exhibited [M+H]+ ions and product ions unique to each cannabinoid that corresponded to major structural features. Five different cannabinoid analogs, alone and as mixtures of at least two cannabinoids, were identified in six herbal products and differentiated by their CID product ion patterns. \n\nCONCLUSIONS\n\nIllicit synthetic cannabinoid products continue to be readily available despite national and international restrictions. These products contain a wide range of active components, and, in many cases, multiple active ingredients. DART-MS allows rapid analyses of these synthetic cannabinoids based on the exact masses of their [M+H]+ ions and product ion peaks generated using CID. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {19},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Domin, Marek A. and Cody, Robert B. and Lesiak, Ashton D. and John Dane, A. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tpages = {2335--2342},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n RATIONALE The emergence of numerous cannabinoid designer drugs has been tied to large spikes in emergency room visits and overdoses. Identifying these substances is difficult for the following reasons: (1) the compounds are novel, closely structurally related, and do not usually test positive in drug screens; (2) novel analogs rapidly appear on the market; (3) no standard protocols exist for their identification; and (4) customized and extensive sample preparation/extraction and analysis procedures are required to demonstrate their presence. METHODS Direct analysis in real time mass spectrometry (DART-MS) employing collision-induced dissociation (CID) provided confirmatory structural information that was useful in characterizing the various cannabinoid analogs, including those contained in mixtures. CID analysis illustrated that, although closely related compounds fragment in a similar fashion, their structural differences still resulted in multiple diagnostic peaks that provided additional confidence towards structural identification. RESULTS DART-MS spectra were acquired under CID conditions to rapidly differentiate among five synthetic cannabinoids contained within 'herbal' products purchased locally in New York State (USA). The spectra exhibited [M+H]+ ions and product ions unique to each cannabinoid that corresponded to major structural features. Five different cannabinoid analogs, alone and as mixtures of at least two cannabinoids, were identified in six herbal products and differentiated by their CID product ion patterns. CONCLUSIONS Illicit synthetic cannabinoid products continue to be readily available despite national and international restrictions. These products contain a wide range of active components, and, in many cases, multiple active ingredients. DART-MS allows rapid analyses of these synthetic cannabinoids based on the exact masses of their [M+H]+ ions and product ion peaks generated using CID. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n The Principles and Applications of An Ambient Ionization Method–Direct Analysis in Real Time (DART).\n \n \n \n\n\n \n Zhang, J.; Huo, F.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Progress in Chemistry, 24(1): 101–109. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhang_principles_2012,\n\ttitle = {The {Principles} and {Applications} of {An} {Ambient} {Ionization} {Method}--{Direct} {Analysis} in {Real} {Time} ({DART})},\n\tvolume = {24},\n\tabstract = {The development of ionization approach has been focused on the ambient ionization methods in the past decade. DART was first reported by Cody and coworkers in 2005 and has been widely applied in the analysis of various samples including solids, liquids or gases. Helium or nitrogen is chosen as the working gas of DART. The working gas is activated by discharge needle and subsequently heated in the heating cell for the further sample ionization. The DART technology needs minimal or no sample pretreatmentand direct analysis can be carried out by holding sample in the localization between the outlet of DART and the entrance of mass spectrometer. This review presents the development, the ionization mechanism, and the major operation parameters of DART. And the applications in direct analysis of pheromones from live drosophila, screening of counterfeit drugs, identification of ingredient of inksand other samples are summarized. In the end, the technological limitations and development trends of DART are also discussed.},\n\tnumber = {1},\n\tjournal = {Progress in Chemistry},\n\tauthor = {Zhang, Jialing and Huo, Feifeng and Zhou, Zhigui and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {review},\n\tpages = {101--109},\n}\n\n\n\n
\n
\n\n\n
\n The development of ionization approach has been focused on the ambient ionization methods in the past decade. DART was first reported by Cody and coworkers in 2005 and has been widely applied in the analysis of various samples including solids, liquids or gases. Helium or nitrogen is chosen as the working gas of DART. The working gas is activated by discharge needle and subsequently heated in the heating cell for the further sample ionization. The DART technology needs minimal or no sample pretreatmentand direct analysis can be carried out by holding sample in the localization between the outlet of DART and the entrance of mass spectrometer. This review presents the development, the ionization mechanism, and the major operation parameters of DART. And the applications in direct analysis of pheromones from live drosophila, screening of counterfeit drugs, identification of ingredient of inksand other samples are summarized. In the end, the technological limitations and development trends of DART are also discussed.\n
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\n \n\n \n \n \n \n \n \n Rapid quality assessment of Radix Aconiti Preparata using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Zhu, H.; Wang, C.; Qi, Y.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytica Chimica Acta, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zhu_rapid_2012,\n\ttitle = {Rapid quality assessment of {Radix} {Aconiti} {Preparata} using direct analysis in real time ({DART}) mass spectrometry},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267012013451?v=s5},\n\tdoi = {10.1016/j.aca.2012.09.018},\n\tabstract = {This study presents a novel and rapid method to identify chemical markers for the quality control of Radix Aconiti Preparata, a world widely used traditional herbal medicine. In the method, the samples with a fast extraction procedure were analyzed using direct analysis in real time mass spectrometry (DART MS) combined with multivariate data analysis. At present, the quality assessment approach of Radix Aconiti Preparata was based on the two processing methods recorded in Chinese Pharmacopoeia for the purpose of reducing the toxicity of Radix Aconiti and ensuring its clinical therapeutic efficacy. In order to ensure the safety and effectivity in clinical use, the processing degree of Radix Aconiti should be well controlled and assessed. In the paper, hierarchical cluster analysis and principal component analysis were performed to evaluate the DART MS data of Radix Aconiti Preparata samples in different processing times. The results showed that the well processed Radix Aconiti Preparata, unqualified processed and the raw Radix Aconiti could be clustered reasonably corresponding to their constituents. The loading plot shows that the main chemical markers having the most influence on the discrimination amongst the qualified and unqualified samples were mainly some monoester diterpenoid aconitines and diester diterpenoid aconitines, i.e. benzoylmesaconine, hypaconitine, mesaconitine, neoline, benzoylhypaconine, benzoylaconine, fuziline, aconitine and 10-OH-mesaconitine. The established DART MS approach in combination with multivariate data analysis provides a very flexible and reliable method for quality assessment of toxic herbal medicine.},\n\tnumber = {0},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zhu, Hongbin and Wang, Chunyan and Qi, Yao and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tyear = {2012},\n\tkeywords = {Direct analysis in real time, Hierarchical clustering analysis, Principal component analysis, Radix Aconiti, Radix Aconiti Preparata},\n}\n\n\n\n
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\n This study presents a novel and rapid method to identify chemical markers for the quality control of Radix Aconiti Preparata, a world widely used traditional herbal medicine. In the method, the samples with a fast extraction procedure were analyzed using direct analysis in real time mass spectrometry (DART MS) combined with multivariate data analysis. At present, the quality assessment approach of Radix Aconiti Preparata was based on the two processing methods recorded in Chinese Pharmacopoeia for the purpose of reducing the toxicity of Radix Aconiti and ensuring its clinical therapeutic efficacy. In order to ensure the safety and effectivity in clinical use, the processing degree of Radix Aconiti should be well controlled and assessed. In the paper, hierarchical cluster analysis and principal component analysis were performed to evaluate the DART MS data of Radix Aconiti Preparata samples in different processing times. The results showed that the well processed Radix Aconiti Preparata, unqualified processed and the raw Radix Aconiti could be clustered reasonably corresponding to their constituents. The loading plot shows that the main chemical markers having the most influence on the discrimination amongst the qualified and unqualified samples were mainly some monoester diterpenoid aconitines and diester diterpenoid aconitines, i.e. benzoylmesaconine, hypaconitine, mesaconitine, neoline, benzoylhypaconine, benzoylaconine, fuziline, aconitine and 10-OH-mesaconitine. The established DART MS approach in combination with multivariate data analysis provides a very flexible and reliable method for quality assessment of toxic herbal medicine.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART) Mass Spectrometry of Adulterants in Herbal Slimming Products using a Tandem Quadrupole MS and Data Directed Analysis.\n \n \n \n\n\n \n Jones, M.; Twohig, M; Yu, K; Balogh, M; Tice, J; and Musselman, B\n\n\n \n\n\n\n Planta Med, 78(05): P_127. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jones_direct_2012,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry} of {Adulterants} in {Herbal} {Slimming} {Products} using a {Tandem} {Quadrupole} {MS} and {Data} {Directed} {Analysis}},\n\tvolume = {78},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0032-1307635},\n\tabstract = {Several troubling studies show the adulteration of herbal slimming products with sibutramine is a common occurrence. Recent reports suggesting an increased risk of serious cardiovascular events (such as heart attack or stroke) in patients with known cardiovascular disease taking sibutramine have prompted the European Medicines Agency (EMA) to recommend that the use of sibutramine be suspended. The aim of this study is to develop specific methods for the rapid screening of herbal medicines for illicit adulteration with pharmaceutical drugs.\n\nHerbal slimming aids were purchased over the internet from store websites and auction sites. Samples were analysed using a direct analysis in real time (DART) interface and a tandem quadrupole mass spectrometer. Samples purchased over the internet were found to contain undeclared pharmaceutical substances with the main component being sibutramine, an appetite suppressant used in the treatment of obesity. In addition to sibutramine, phenolphthalein and sildenafil were also identified none of which were declared on the box or enclosed information.\n\nDuring our study we were able to identify nine samples that had been contaminated by sibutramine. DART with data directed analysis of the sample using a data directed high low collision energy experiment provides simultaneous intact molecular ion and fragmentation information, while allowing samples to be analysed very rapidly and without the need for complex sample preparation or chromatography. The testing of unlicensed herbal medicines and herbal dietary supplements are vital functions due to the possibility of illegal adulteration and/or contamination and the potential that exists for adverse health effects to unsuspecting consumers.},\n\tnumber = {05},\n\tjournal = {Planta Med},\n\tauthor = {Jones, MD and Twohig, M and Yu, K and Balogh, M and Tice, J and Musselman, B},\n\tyear = {2012},\n\tpages = {P\\_127},\n}\n\n\n\n
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\n Several troubling studies show the adulteration of herbal slimming products with sibutramine is a common occurrence. Recent reports suggesting an increased risk of serious cardiovascular events (such as heart attack or stroke) in patients with known cardiovascular disease taking sibutramine have prompted the European Medicines Agency (EMA) to recommend that the use of sibutramine be suspended. The aim of this study is to develop specific methods for the rapid screening of herbal medicines for illicit adulteration with pharmaceutical drugs. Herbal slimming aids were purchased over the internet from store websites and auction sites. Samples were analysed using a direct analysis in real time (DART) interface and a tandem quadrupole mass spectrometer. Samples purchased over the internet were found to contain undeclared pharmaceutical substances with the main component being sibutramine, an appetite suppressant used in the treatment of obesity. In addition to sibutramine, phenolphthalein and sildenafil were also identified none of which were declared on the box or enclosed information. During our study we were able to identify nine samples that had been contaminated by sibutramine. DART with data directed analysis of the sample using a data directed high low collision energy experiment provides simultaneous intact molecular ion and fragmentation information, while allowing samples to be analysed very rapidly and without the need for complex sample preparation or chromatography. The testing of unlicensed herbal medicines and herbal dietary supplements are vital functions due to the possibility of illegal adulteration and/or contamination and the potential that exists for adverse health effects to unsuspecting consumers.\n
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\n \n\n \n \n \n \n \n \n Evaluating a direct swabbing method for screening pesticides on fruit and vegetable surfaces using direct analysis in real time (DART) coupled to an Exactive benchtop orbitrap mass spectrometer.\n \n \n \n \n\n\n \n Crawford, E.; and Musselman, B.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{crawford_evaluating_2012,\n\ttitle = {Evaluating a direct swabbing method for screening pesticides on fruit and vegetable surfaces using direct analysis in real time ({DART}) coupled to an {Exactive} benchtop orbitrap mass spectrometer},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5853-6},\n\tdoi = {10.1007/s00216-012-5853-6},\n\tabstract = {Rapid screening of pesticides present on the surfaces of fruits and vegetables has been facilitated by using a Direct Analysis in Real Time (DART®) open air surface desorption ionization source coupled to an Exactive® high-resolution accurate mass benchtop orbitrap mass spectrometer. The use of cotton and polyester cleaning swabs to collect and retain pesticides for subsequent open air desorption ionization is demonstrated by sampling the surface of various produce to which solutions of pesticides have been applied at levels 10 and 100 times below the tolerance levels established by the United States Environmental Protection Agency (US EPA). Samples analyzed include cherry tomatoes, oranges, peaches and carrots each chosen for their surface characteristics which include: smooth, pitted, fuzzy, and rough respectively. Results from the direct analysis of fungicides on store-bought oranges are also described. In all cases, the swabs were introduced directly into the heated ionizing gas of the DART source resulting in production of protonated pesticide molecules within seconds of sampling. Operation of the orbitrap mass spectrometer at 25,000 full-width half maximum resolution was sufficient to generate high-quality accurate mass data. Stable external mass calibration eliminated the need for addition of standards typically required for mass calibration, thus allowing multiple analyses to be completed without instrument recalibration.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Crawford, Elizabeth and Musselman, Brian},\n\tyear = {2012},\n\tkeywords = {Chemistry and Materials Science},\n\tpages = {1--6},\n}\n\n\n\n
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\n Rapid screening of pesticides present on the surfaces of fruits and vegetables has been facilitated by using a Direct Analysis in Real Time (DART®) open air surface desorption ionization source coupled to an Exactive® high-resolution accurate mass benchtop orbitrap mass spectrometer. The use of cotton and polyester cleaning swabs to collect and retain pesticides for subsequent open air desorption ionization is demonstrated by sampling the surface of various produce to which solutions of pesticides have been applied at levels 10 and 100 times below the tolerance levels established by the United States Environmental Protection Agency (US EPA). Samples analyzed include cherry tomatoes, oranges, peaches and carrots each chosen for their surface characteristics which include: smooth, pitted, fuzzy, and rough respectively. Results from the direct analysis of fungicides on store-bought oranges are also described. In all cases, the swabs were introduced directly into the heated ionizing gas of the DART source resulting in production of protonated pesticide molecules within seconds of sampling. Operation of the orbitrap mass spectrometer at 25,000 full-width half maximum resolution was sufficient to generate high-quality accurate mass data. Stable external mass calibration eliminated the need for addition of standards typically required for mass calibration, thus allowing multiple analyses to be completed without instrument recalibration.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of synthetic cannabinoids in herbal samples via direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Musah, R. A.; Domin, M. A.; Walling, M. A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1109–1114. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{musah_rapid_2012,\n\ttitle = {Rapid identification of synthetic cannabinoids in herbal samples via direct analysis in real time mass spectrometry},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6205},\n\tdoi = {10.1002/rcm.6205},\n\tabstract = {RATIONALE\nDozens of synthetic cannabinoid analogs purposefully meant to circumvent legal restrictions associated with controlled substances continue to be manufactured and promoted as producing 'legal highs'. These designer drugs are difficult to identify in conventional drug screens not only because routine protocols have not been developed for their detection, but also because their association with complex plant matrices during manufacture generally requires labor-intensive extraction and sample preparation for analysis. To address this new and important challenge in forensic chemistry, Direct Analysis in Real Time Mass Spectrometry (DART-MS) is applied to the analysis of these designer drugs. \nMETHODS\nDART-MS was employed to sample synthetic cannabinoids directly on botanical matrices. The ambient ionization method associated with DART-MS permitted the analysis of solid herbal samples directly, without the need for extraction or sample preparation. The high mass resolution time-of-flight analyzer allowed identification of these substances despite their presence within a complex matrix and enabled differentiation of closely related analogs. \nRESULTS\nDART-MS was performed to rapidly identify the synthetic cannabinoids AM-251 and JWH-015. For each cannabinoid, three hundred micrograms (300 µg) of material was easily detected within an excess of background matrix by mass. \nCONCLUSIONS\nNew variations of herbal blends containing a wide range of base components and laced with synthetic cannabinoids are being produced, making their presence difficult to track by conventional methods. DART-MS permits rapid identification of trace synthetic cannabinoids within complex biological matrices, with excellent sensitivity and specificity compared with standard methods. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Domin, Marek A. and Walling, Maureen A. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1109--1114},\n}\n\n\n\n
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\n RATIONALE Dozens of synthetic cannabinoid analogs purposefully meant to circumvent legal restrictions associated with controlled substances continue to be manufactured and promoted as producing 'legal highs'. These designer drugs are difficult to identify in conventional drug screens not only because routine protocols have not been developed for their detection, but also because their association with complex plant matrices during manufacture generally requires labor-intensive extraction and sample preparation for analysis. To address this new and important challenge in forensic chemistry, Direct Analysis in Real Time Mass Spectrometry (DART-MS) is applied to the analysis of these designer drugs. METHODS DART-MS was employed to sample synthetic cannabinoids directly on botanical matrices. The ambient ionization method associated with DART-MS permitted the analysis of solid herbal samples directly, without the need for extraction or sample preparation. The high mass resolution time-of-flight analyzer allowed identification of these substances despite their presence within a complex matrix and enabled differentiation of closely related analogs. RESULTS DART-MS was performed to rapidly identify the synthetic cannabinoids AM-251 and JWH-015. For each cannabinoid, three hundred micrograms (300 µg) of material was easily detected within an excess of background matrix by mass. CONCLUSIONS New variations of herbal blends containing a wide range of base components and laced with synthetic cannabinoids are being produced, making their presence difficult to track by conventional methods. DART-MS permits rapid identification of trace synthetic cannabinoids within complex biological matrices, with excellent sensitivity and specificity compared with standard methods. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Reusable Solid Phase Microextraction Coating for Direct Immersion Whole Blood Analysis and Extracted Blood Spot Sampling Coupled with LC-MS/MS and DART-MS/MS.\n \n \n \n \n\n\n \n Mirnaghi, F.; and Pawliszyn, J.\n\n\n \n\n\n\n Anal. Chem.. August 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ReusablePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{mirnaghi_reusable_2012,\n\ttitle = {Reusable {Solid} {Phase} {Microextraction} {Coating} for {Direct} {Immersion} {Whole} {Blood} {Analysis} and {Extracted} {Blood} {Spot} {Sampling} {Coupled} with {LC}-{MS}/{MS} and {DART}-{MS}/{MS}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3018229},\n\tdoi = {10.1021/ac3018229},\n\tabstract = {Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12\\% using external calibration and 4\\% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.\nThree different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12\\% using external calibration and 4\\% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.},\n\tjournal = {Anal. Chem.},\n\tauthor = {Mirnaghi, Fatemeh and Pawliszyn, Janusz},\n\tmonth = aug,\n\tyear = {2012},\n}\n\n\n\n
\n
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\n Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12% using external calibration and 4% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam. Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12% using external calibration and 4% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.\n
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\n \n\n \n \n \n \n \n \n Direct Monitoring of the Role Played by a Stabilizer in a Solid Sample of Polymer Using Direct Analysis in Real Time Mass Spectrometry: The Case of Irgafos 168 in Polyethylene.\n \n \n \n \n\n\n \n Fouyer, K.; Lavastre, O.; and Rondeau, D.\n\n\n \n\n\n\n Analytical Chemistry. September 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fouyer_direct_2012,\n\ttitle = {Direct {Monitoring} of the {Role} {Played} by a {Stabilizer} in a {Solid} {Sample} of {Polymer} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}: {The} {Case} of {Irgafos} 168 in {Polyethylene}},\n\tissn = {0003-2700},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac301759q},\n\tdoi = {10.1021/ac301759q},\n\tabstract = {Direct analysis in real time (DART) ionization method is used with a time-of-flight (TOF) mass spectrometer to perform the analysis of industrial polyethylene pellets free of additives or containing Irgafos 168 as stabilizing agent without any sampling step. The developed analytical method uses the [M + H]+ ion of the bis(2-ethylhexyl) phthalate (DEHP) for performing the exact mass measurements of the stabilizer and polymer ions using the mass drift compensation procedure available on the AccuTOF mass spectrometer. DEHP is in fact a plastic contaminant always presents on the mass spectra of the analyzed samples. The mass spectra allow one to characterize either the ions of the polyethylene and that of the Irgafos. The analysis of thermally treated samples show that the polymer does not undergo any degradation when the Irgafos is present in the bulk of the material, and the role played by the Irgafos 168 is that of an oxygen trapping agent. Under UV exposure, the DART-TOF MS analyses performed on the exposed polyethylene pellets shows that the Irgafos 168 behavior toward the UV radiations is different since this one reacts by cleavages of its P?O bonds to prevent the degradation of the polymer. These interpretations are supported by all the elemental formula determination of the detected ions.},\n\turldate = {2012-10-10},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Fouyer, Kevin and Lavastre, Olivier and Rondeau, David},\n\tmonth = sep,\n\tyear = {2012},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) ionization method is used with a time-of-flight (TOF) mass spectrometer to perform the analysis of industrial polyethylene pellets free of additives or containing Irgafos 168 as stabilizing agent without any sampling step. The developed analytical method uses the [M + H]+ ion of the bis(2-ethylhexyl) phthalate (DEHP) for performing the exact mass measurements of the stabilizer and polymer ions using the mass drift compensation procedure available on the AccuTOF mass spectrometer. DEHP is in fact a plastic contaminant always presents on the mass spectra of the analyzed samples. The mass spectra allow one to characterize either the ions of the polyethylene and that of the Irgafos. The analysis of thermally treated samples show that the polymer does not undergo any degradation when the Irgafos is present in the bulk of the material, and the role played by the Irgafos 168 is that of an oxygen trapping agent. Under UV exposure, the DART-TOF MS analyses performed on the exposed polyethylene pellets shows that the Irgafos 168 behavior toward the UV radiations is different since this one reacts by cleavages of its P?O bonds to prevent the degradation of the polymer. These interpretations are supported by all the elemental formula determination of the detected ions.\n
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\n \n\n \n \n \n \n \n \n Rapid qualitative analysis of phthalates added to food and nutraceutical products by direct analysis in real time/orbitrap mass spectrometry.\n \n \n \n \n\n\n \n Self, R. L.; and Wu, W.\n\n\n \n\n\n\n Food Control, 25(1): 13–16. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{self_rapid_2012,\n\ttitle = {Rapid qualitative analysis of phthalates added to food and nutraceutical products by direct analysis in real time/orbitrap mass spectrometry},\n\tvolume = {25},\n\tissn = {0956-7135},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0956713511004178},\n\tdoi = {10.1016/j.foodcont.2011.10.013},\n\tabstract = {A recent food safety issue involves the contamination of a broad range of food and nutraceutical products from Taiwan with industrial plasticizers. Among the suspected contaminants are selected phthalic acid esters, such as benzyl butyl phthalate, dibutyl phthalate, diisobutyl phthalate, di-2-ethylhexyl phthalate, di-n-octyl phthalate, diisononyl phthalate, and diisodecyl phthalate. Described in this study is an analytical method to rapidly qualitatively analyze these compounds in a wide variety of food and nutraceutical matrices suspected in this crisis. The method utilizes direct analysis in real time (DART) ionization coupled to a Thermo Exactive orbitrap mass spectrometer. The method is shown to be capable of detecting these compounds at levels greater than 1.0 μg/mL in all food products examined and 0.5 μg/mL in most of the samples tested. In the nutraceutical samples tested, the compounds were detected at levels of 50 μg/g for all samples with some detected as low as 1.0 μg/g.},\n\tnumber = {1},\n\tjournal = {Food Control},\n\tauthor = {Self, Randy L. and Wu, Wen-Hsin},\n\tyear = {2012},\n\tkeywords = {Direct analysis in real time (DART), Food safety, Orbitrap, Phthalates, Phthalates; Direct analysis in real time (DART); Orbitrap; Food safety},\n\tpages = {13--16},\n}\n\n\n\n
\n
\n\n\n
\n A recent food safety issue involves the contamination of a broad range of food and nutraceutical products from Taiwan with industrial plasticizers. Among the suspected contaminants are selected phthalic acid esters, such as benzyl butyl phthalate, dibutyl phthalate, diisobutyl phthalate, di-2-ethylhexyl phthalate, di-n-octyl phthalate, diisononyl phthalate, and diisodecyl phthalate. Described in this study is an analytical method to rapidly qualitatively analyze these compounds in a wide variety of food and nutraceutical matrices suspected in this crisis. The method utilizes direct analysis in real time (DART) ionization coupled to a Thermo Exactive orbitrap mass spectrometer. The method is shown to be capable of detecting these compounds at levels greater than 1.0 μg/mL in all food products examined and 0.5 μg/mL in most of the samples tested. In the nutraceutical samples tested, the compounds were detected at levels of 50 μg/g for all samples with some detected as low as 1.0 μg/g.\n
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\n \n\n \n \n \n \n \n \n Ambient Ionization–Accurate Mass Spectrometry (AMI-AMS) for the Identification of Nonvisible Set-off in Food-Contact Materials.\n \n \n \n \n\n\n \n Bentayeb, K.; Ackerman, L. K.; and Begley, T. H.\n\n\n \n\n\n\n J. Agric. Food Chem., 60(8): 1914–1920. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bentayeb_ambient_2012,\n\ttitle = {Ambient {Ionization}–{Accurate} {Mass} {Spectrometry} ({AMI}-{AMS}) for the {Identification} of {Nonvisible} {Set}-off in {Food}-{Contact} {Materials}},\n\tvolume = {60},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf204456z},\n\tdoi = {10.1021/jf204456z},\n\tabstract = {Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.\nSet-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.},\n\tnumber = {8},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Bentayeb, Karim and Ackerman, Luke K. and Begley, Timothy H.},\n\tyear = {2012},\n\tpages = {1914--1920},\n}\n\n\n\n
\n
\n\n\n
\n Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging. Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.\n
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\n \n\n \n \n \n \n \n \n Rapid analysis of caffeine in various coffee samples employing direct analysis in real-time ionization–high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Danhelova, H.; Hradecky, J.; Prinosilova, S.; Cajka, T.; Riddellova, K.; Vaclavik, L.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–7. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{danhelova_rapid_2012,\n\ttitle = {Rapid analysis of caffeine in various coffee samples employing direct analysis in real-time ionization–high-resolution mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5820-2},\n\tabstract = {The development and use of a fast method employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) for the quantitative analysis of caffeine in various coffee samples has been demonstrated in this study. A simple sample extraction procedure employing hot water was followed by direct, high-throughput (\\&lt;1 min per run) examination of the extracts spread on a glass rod under optimized conditions of ambient mass spectrometry, without any prior chromatographic separation. For quantification of caffeine using DART-TOFMS, an external calibration was used. Isotopically labeled caffeine was used to compensate for the variations of the ion intensities of caffeine signal. Recoveries of the DART-TOFMS method were 97\\% for instant coffee at the spiking levels of 20 and 60 mg/g, respectively, while for roasted ground coffee, the obtained values were 106\\% and 107\\% at the spiking levels of 10 and 30 mg/g, respectively. The repeatability of the whole analytical procedure (expressed as relative standard deviation, RSD, \\%) was \\&lt;5\\% for all tested spiking levels and matrices. Since the linearity range of the method was relatively narrow (two orders of magnitude), an optimization of sample dilution prior the DART-TOFMS measurement to avoid saturation of the detector was needed.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Danhelova, Hana and Hradecky, Jaromir and Prinosilova, Sarka and Cajka, Tomas and Riddellova, Katerina and Vaclavik, Lukas and Hajslova, Jana},\n\tyear = {2012},\n\tpages = {1--7},\n}\n\n\n\n
\n
\n\n\n
\n The development and use of a fast method employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) for the quantitative analysis of caffeine in various coffee samples has been demonstrated in this study. A simple sample extraction procedure employing hot water was followed by direct, high-throughput (<1 min per run) examination of the extracts spread on a glass rod under optimized conditions of ambient mass spectrometry, without any prior chromatographic separation. For quantification of caffeine using DART-TOFMS, an external calibration was used. Isotopically labeled caffeine was used to compensate for the variations of the ion intensities of caffeine signal. Recoveries of the DART-TOFMS method were 97% for instant coffee at the spiking levels of 20 and 60 mg/g, respectively, while for roasted ground coffee, the obtained values were 106% and 107% at the spiking levels of 10 and 30 mg/g, respectively. The repeatability of the whole analytical procedure (expressed as relative standard deviation, RSD, %) was <5% for all tested spiking levels and matrices. Since the linearity range of the method was relatively narrow (two orders of magnitude), an optimization of sample dilution prior the DART-TOFMS measurement to avoid saturation of the detector was needed.\n
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\n \n\n \n \n \n \n \n \n Metabolomic fingerprinting employing DART-TOFMS for authentication of tomatoes and peppers from organic and conventional farming.\n \n \n \n \n\n\n \n Novotná, H.; Kmiecik, O.; Gałązka, M.; Krtková, V.; Hurajová, A.; Schulzová, V.; Hallmann, E.; Rembiałkowska, E.; and Hajšlová, J.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 29(9): 1335–1346. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"MetabolomicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{novotna_metabolomic_2012,\n\ttitle = {Metabolomic fingerprinting employing {DART}-{TOFMS} for authentication of tomatoes and peppers from organic and conventional farming},\n\tvolume = {29},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2012.690348},\n\tdoi = {10.1080/19440049.2012.690348},\n\tabstract = {The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5\\% for tomato and 100\\% for pepper samples and the prediction abilities were above 80\\% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.\nThe rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5\\% for tomato and 100\\% for pepper samples and the prediction abilities were above 80\\% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.},\n\tnumber = {9},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Novotná, H. and Kmiecik, O. and Gałązka, M. and Krtková, V. and Hurajová, A. and Schulzová, V. and Hallmann, E. and Rembiałkowska, E. and Hajšlová, J.},\n\tyear = {2012},\n\tpages = {1335--1346},\n}\n\n\n\n
\n
\n\n\n
\n The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5% for tomato and 100% for pepper samples and the prediction abilities were above 80% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models. The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5% for tomato and 100% for pepper samples and the prediction abilities were above 80% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.\n
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\n \n\n \n \n \n \n \n \n Optimization of direct analysis in real time (DART) linear ion trap parameters for the detection and quantitation of glucose.\n \n \n \n \n\n\n \n Saang'onyo, D. S.; and Smith, D. L.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(3): 385–391. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{saangonyo_optimization_2012,\n\ttitle = {Optimization of direct analysis in real time ({DART}) linear ion trap parameters for the detection and quantitation of glucose},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5316},\n\tdoi = {10.1002/rcm.5316},\n\tabstract = {Presented here are findings for the development and optimization of a simple, high-throughput, and rapid method for the analysis of glucose. Because the applications of glucose and other six-carbon sugars is a growing field of interest especially in the production of biofuels, an efficient and rapid method for their quantitation from lignocelluloses is necessary. Glucose was analyzed using direct analysis in real time (DART) ionization and formed adducts (along with fragmentation) were observed with a linear ion trap (LIT) mass spectrometer. Since DART can be considered a complex thermal desorption ionization process, an optimization study of the helium gas temperature and introduction into the ionization region was performed. It was observed these parameters have a significant effect on the overall signal intensity as well as the signal-to-noise ratios in DART mass spectra. Using these optimized parameters, a set of different glucose concentrations (ranging from 10 to 3000 μM) were analyzed and used to determine a linear dynamic range (with the use of an internal standard). The analysis of the samples was done with minimal sample preparation and found to be reproducible on different days. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Saang'onyo, Daudi S. and Smith, Darrin L.},\n\tyear = {2012},\n\tkeywords = {Ion trap},\n\tpages = {385--391},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Presented here are findings for the development and optimization of a simple, high-throughput, and rapid method for the analysis of glucose. Because the applications of glucose and other six-carbon sugars is a growing field of interest especially in the production of biofuels, an efficient and rapid method for their quantitation from lignocelluloses is necessary. Glucose was analyzed using direct analysis in real time (DART) ionization and formed adducts (along with fragmentation) were observed with a linear ion trap (LIT) mass spectrometer. Since DART can be considered a complex thermal desorption ionization process, an optimization study of the helium gas temperature and introduction into the ionization region was performed. It was observed these parameters have a significant effect on the overall signal intensity as well as the signal-to-noise ratios in DART mass spectra. Using these optimized parameters, a set of different glucose concentrations (ranging from 10 to 3000 μM) were analyzed and used to determine a linear dynamic range (with the use of an internal standard). The analysis of the samples was done with minimal sample preparation and found to be reproducible on different days. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry combined with single-drop liquid–liquid–liquid microextraction for the rapid analysis of multiple phytohormones in fruit juice.\n \n \n \n \n\n\n \n Bai, Y.; Zhang, J.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–8. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{bai_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry combined with single-drop liquid–liquid–liquid microextraction for the rapid analysis of multiple phytohormones in fruit juice},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5728-x},\n\tdoi = {10.1007/s00216-012-5728-x},\n\tabstract = {A rapid, simple, and efficient method for the fast determination of multiple phytohormones was developed in this work, based on single-drop liquid–liquid–liquid microextraction (SD-LLLME) combined with direct analysis in real-time mass spectrometry (DART-MS). Six phytohormones—indole-3-acetic acid (IAA), indole-3-butyric acid (IBA), jasmonic acid (JA), salicylic acid (SA), abscisic acid (ABA), and gibberellin A 3 (GA 3 )—were analyzed simultaneously using this method, and the conditions employed for DART-MS and SD-LLLME were optimized systematically. Satisfactory results were obtained in terms of linearity ( R 2 values for all phytohormones were 0.991–0.996), sensitivity (limits of detection were 0.65–72 ng/mL), and repeatability (RSD values were 6.9–14\\%). In addition, the proposed method was applied to determine the endogenous phytohormones in three kinds of fruit juice. Different concentrations of phytohormones were detected with satisfactory recoveries, and the whole analytical procedure took no more than 30 min. Therefore, this combination of SD-LLLME and DART-MS was shown to be a suitable and effective approach for the fast analysis of targets present at trace level concentrations in complex matrices.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Bai, Yu and Zhang, Jialing and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {Chemistry and Materials Science},\n\tpages = {1--8},\n}\n\n\n\n
\n
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\n A rapid, simple, and efficient method for the fast determination of multiple phytohormones was developed in this work, based on single-drop liquid–liquid–liquid microextraction (SD-LLLME) combined with direct analysis in real-time mass spectrometry (DART-MS). Six phytohormones—indole-3-acetic acid (IAA), indole-3-butyric acid (IBA), jasmonic acid (JA), salicylic acid (SA), abscisic acid (ABA), and gibberellin A 3 (GA 3 )—were analyzed simultaneously using this method, and the conditions employed for DART-MS and SD-LLLME were optimized systematically. Satisfactory results were obtained in terms of linearity ( R 2 values for all phytohormones were 0.991–0.996), sensitivity (limits of detection were 0.65–72 ng/mL), and repeatability (RSD values were 6.9–14%). In addition, the proposed method was applied to determine the endogenous phytohormones in three kinds of fruit juice. Different concentrations of phytohormones were detected with satisfactory recoveries, and the whole analytical procedure took no more than 30 min. Therefore, this combination of SD-LLLME and DART-MS was shown to be a suitable and effective approach for the fast analysis of targets present at trace level concentrations in complex matrices.\n
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\n \n\n \n \n \n \n \n \n The evaluation and implementation of direct analysis in real time quadrupole time-of-flight tandem mass spectrometry for characterization and quantification of geniposide in Re Du Ning Injections.\n \n \n \n \n\n\n \n Li, Y.; Wang, Z.; Bi, Y.; Ding, G.; Sheng, L.; Qin, J.; Xiao, W.; Li, J.; Wang, Y.; and Wang, X.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(11): 1377–1384. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{li_evaluation_2012,\n\ttitle = {The evaluation and implementation of direct analysis in real time quadrupole time-of-flight tandem mass spectrometry for characterization and quantification of geniposide in {Re} {Du} {Ning} {Injections}},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6235},\n\tdoi = {10.1002/rcm.6235},\n\tabstract = {RATIONALE\nThe Direct Analysis in Real Time (DART) ionization source coupled with a quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples from complex Chinese herbal preparations without sample cleanup or chromatographic separation. \nMETHODS\nIn this work, a method based on DART/Q-TOF MS/MS has been developed for rapid determination of geniposide present in 'Re Du Ning Injections', a Chinese herbal preparation. The method has been evaluated for both qualitative and quantitative analysis of geniposide in Re Du Ning Injections. \nRESULTS\nVariables including polarity for ion detection, DART gas heater temperature, matrix effect and sample presentation speed were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision and accuracy by using both internal and external standards. A comparison of the results obtained using the DART-based method was made with those obtained using a conventional High-Performance Liquid Chromatography/Diode-Array Detector (HPLC/DAD) by analyzing geniposide in four batches of Re Du Ning Injections. \nCONCLUSIONS\nThe DART/Q-TOF MS/MS-based method provides a rapid, efficient and powerful method to analyze compounds from complex Traditional Chinese Medicines with limited sample preparation thus reducing time and complexity of quality control for those materials. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {11},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Li, Yan-Jing and Wang, Zhen-Zhong and Bi, Yu-An and Ding, Gang and Sheng, Long-Sheng and Qin, Jian-Ping and Xiao, Wei and Li, Jia-Chun and Wang, Yong-Xiang and Wang, Xue},\n\tyear = {2012},\n\tpages = {1377--1384},\n}\n\n\n\n
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\n RATIONALE The Direct Analysis in Real Time (DART) ionization source coupled with a quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples from complex Chinese herbal preparations without sample cleanup or chromatographic separation. METHODS In this work, a method based on DART/Q-TOF MS/MS has been developed for rapid determination of geniposide present in 'Re Du Ning Injections', a Chinese herbal preparation. The method has been evaluated for both qualitative and quantitative analysis of geniposide in Re Du Ning Injections. RESULTS Variables including polarity for ion detection, DART gas heater temperature, matrix effect and sample presentation speed were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision and accuracy by using both internal and external standards. A comparison of the results obtained using the DART-based method was made with those obtained using a conventional High-Performance Liquid Chromatography/Diode-Array Detector (HPLC/DAD) by analyzing geniposide in four batches of Re Du Ning Injections. CONCLUSIONS The DART/Q-TOF MS/MS-based method provides a rapid, efficient and powerful method to analyze compounds from complex Traditional Chinese Medicines with limited sample preparation thus reducing time and complexity of quality control for those materials. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Study of the distribution profile of piperidine alkaloids in various parts of Prosopis juliflora by the application of Direct Analysis in Real Time Mass Spectrometry (DART-MS).\n \n \n \n \n\n\n \n Singh, S.; and Verma, S.\n\n\n \n\n\n\n Natural Products and Bioprospecting,1–4. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"StudyPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{singh_study_2012,\n\ttitle = {Study of the distribution profile of piperidine alkaloids in various parts of {Prosopis} juliflora by the application of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS})},\n\turl = {http://dx.doi.org/10.1007/s13659-012-0069-1},\n\tabstract = {Direct Analysis in Real Time Mass Spectrometry (DART-MS) was applied to identify and study the distribution profile of piperidine alkaloids in different parts of Prosopis juliflora, without isolation and separation of the compounds by standard chromatographic techniques. With the help of DART-MS, chemical fingerprint of raw plant parts were generated, which revealed the presence of piperidine alkaloids in leaf, pod and flower. A comparative study of the distribution pattern, showed variation in the presence and distribution of these alkaloids in various parts of P. juliflora. The leaves and pod displayed the largest alkaloid pattern with a total of 12 different alkaloids in each part, whereas only 4 alkaloids were present in flower. Alkaloids: julifloridine, prosopine, prosopinine and prosafrinine were ubiquitously distributed in all the alkaloid rich plant parts. Juliprosopine was pre-eminet alkaloid in leaf, whereas pod and flower displayed copious amounts of julifloridine.},\n\tjournal = {Natural Products and Bioprospecting},\n\tauthor = {Singh, Shachi and Verma, SanjayKumar},\n\tyear = {2012},\n\tkeywords = {julifloridine},\n\tpages = {1--4},\n}\n\n\n\n
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\n Direct Analysis in Real Time Mass Spectrometry (DART-MS) was applied to identify and study the distribution profile of piperidine alkaloids in different parts of Prosopis juliflora, without isolation and separation of the compounds by standard chromatographic techniques. With the help of DART-MS, chemical fingerprint of raw plant parts were generated, which revealed the presence of piperidine alkaloids in leaf, pod and flower. A comparative study of the distribution pattern, showed variation in the presence and distribution of these alkaloids in various parts of P. juliflora. The leaves and pod displayed the largest alkaloid pattern with a total of 12 different alkaloids in each part, whereas only 4 alkaloids were present in flower. Alkaloids: julifloridine, prosopine, prosopinine and prosafrinine were ubiquitously distributed in all the alkaloid rich plant parts. Juliprosopine was pre-eminet alkaloid in leaf, whereas pod and flower displayed copious amounts of julifloridine.\n
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\n \n\n \n \n \n \n \n \n Identification, extraction and quantification of the synthetic cannabinoid JWH-018 from commercially available herbal marijuana alternatives.\n \n \n \n \n\n\n \n Dunham, S. J.; Hooker, P. D.; and Hyde, R. M.\n\n\n \n\n\n\n Forensic science international, 223(1): 241–244. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"Identification,Paper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{dunham_identification_2012,\n\ttitle = {Identification, extraction and quantification of the synthetic cannabinoid {JWH}-018 from commercially available herbal marijuana alternatives},\n\tvolume = {223},\n\tissn = {0379-0738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073812004471?showall=true},\n\tabstract = {In this work, methods for the rapid identification, extraction, and quantification of the synthetic cannabinoid, JWH-018, from commercially available “Spice” (a herbal marijuana alternative) are presented. JWH-018 was identified in three different products using time-of-flight (TOF) mass spectrometry coupled with a direct analysis in real time (DART) ionization source, a process that was completed in less then five minutes and required no sample preparation. Extraction of the JWH-018 from the spice samples using an automated accelerated solvent extraction (ASE) instrument provided clean extracts with few plant pigments. Subsequent quantification by isocratic HPLC produced the following results (mg JWH-018/g plant material): Weekend Warrior brand “Hash”: 90 (±3\\%)mg/g, Weekend Warrior brand “Leaf”: 29 (±6\\%)mg/g, TrainWreck Hayze brand: 28 (±4\\%)mg/g. Vegetative samples spiked with JWH-018 gave a recovery of 97\\% (±1\\%).},\n\tnumber = {1},\n\tjournal = {Forensic science international},\n\tauthor = {Dunham, Sage J.B. and Hooker, Paul D. and Hyde, Robyn M.},\n\tmonth = nov,\n\tyear = {2012},\n\tkeywords = {Accelerated solvent extraction, DART–mass spectrometry, Herbal marijuana alternative, JWH-018, Spice, Synthetic marijuana},\n\tpages = {241--244},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n In this work, methods for the rapid identification, extraction, and quantification of the synthetic cannabinoid, JWH-018, from commercially available “Spice” (a herbal marijuana alternative) are presented. JWH-018 was identified in three different products using time-of-flight (TOF) mass spectrometry coupled with a direct analysis in real time (DART) ionization source, a process that was completed in less then five minutes and required no sample preparation. Extraction of the JWH-018 from the spice samples using an automated accelerated solvent extraction (ASE) instrument provided clean extracts with few plant pigments. Subsequent quantification by isocratic HPLC produced the following results (mg JWH-018/g plant material): Weekend Warrior brand “Hash”: 90 (±3%)mg/g, Weekend Warrior brand “Leaf”: 29 (±6%)mg/g, TrainWreck Hayze brand: 28 (±4%)mg/g. Vegetative samples spiked with JWH-018 gave a recovery of 97% (±1%).\n
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\n \n\n \n \n \n \n \n \n Rapid detection of alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS/MS).\n \n \n \n \n\n\n \n Sun, L.; Hu, X.; Liu, L.; Jin, H.; and Lin, R.\n\n\n \n\n\n\n Zhongguo Zhong Yao Za Zhi, 37: 1426–30. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{sun_rapid_2012,\n\ttitle = {Rapid detection of alkaloids in {Ipecac} by direct analysis in real time tandem mass spectrometry ({DART}-{MS}/{MS})},\n\tvolume = {37},\n\turl = {http://www.ncbi.nlm.nih.gov/pubmed/22860455},\n\tabstract = {OBJECTIVE: To detect alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS) without pre-treatment and chromatographic separation. METHOD: Under the optimum conditions, DART-MS characteristic spectra were collected for tablet of Ipecac powder, Ipecac stems and leaves by full scanning,and secondary spectra were adopted for identifying alkaloids. The multiple reaction monitoring mode was adopted to determine the mass spectrum peak intensity of determinands on the surface of determined samples, in order to calculate their average content in samples. RESULT: Spectra of tablet of Ipecac powder and Ipecac stems showed remarkable ionized ion peaks of emetine and cephaeline at m/z 481 and 467, while spectra of leaves showed ionized ion peaks of other alkaloids at m/z 479 and 465. Furthermore, the quantitative analysis was also demonstrated with good reproducibility and linear relationship. CONCLUSION:  The mode can play a role in rapid determination of medicinal materials and prepared herbal medicines and real-time rapid quantitative analysis on intermediates and preparations.},\n\tlanguage = {Chinese},\n\tjournal = {Zhongguo Zhong Yao Za Zhi},\n\tauthor = {Sun, Lei and Hu, Xiaoru and Liu, Lina and Jin, Hongyu and Lin, Ruichao},\n\tyear = {2012},\n\tpages = {1426--30},\n}\n\n\n\n\n\n\n\n
\n
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\n OBJECTIVE: To detect alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS) without pre-treatment and chromatographic separation. METHOD: Under the optimum conditions, DART-MS characteristic spectra were collected for tablet of Ipecac powder, Ipecac stems and leaves by full scanning,and secondary spectra were adopted for identifying alkaloids. The multiple reaction monitoring mode was adopted to determine the mass spectrum peak intensity of determinands on the surface of determined samples, in order to calculate their average content in samples. RESULT: Spectra of tablet of Ipecac powder and Ipecac stems showed remarkable ionized ion peaks of emetine and cephaeline at m/z 481 and 467, while spectra of leaves showed ionized ion peaks of other alkaloids at m/z 479 and 465. Furthermore, the quantitative analysis was also demonstrated with good reproducibility and linear relationship. CONCLUSION: The mode can play a role in rapid determination of medicinal materials and prepared herbal medicines and real-time rapid quantitative analysis on intermediates and preparations.\n
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\n \n\n \n \n \n \n \n \n Graphite-Coated Paper as Substrate for High Sensitivity Analysis in Ambient Surface-Assisted Laser Desorption/Ionization Mass Spectrometry.\n \n \n \n \n\n\n \n Zhang, J.; Li, Z.; Zhang, C.; Feng, B.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Anal. Chem., 84(7): 3296–3301. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"Graphite-CoatedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{zhang_graphite-coated_2012,\n\ttitle = {Graphite-{Coated} {Paper} as {Substrate} for {High} {Sensitivity} {Analysis} in {Ambient} {Surface}-{Assisted} {Laser} {Desorption}/{Ionization} {Mass} {Spectrometry}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac300002g},\n\tdoi = {10.1021/ac300002g},\n\tabstract = {In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.\nIn this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.},\n\tnumber = {7},\n\tjournal = {Anal. Chem.},\n\tauthor = {Zhang, Jialing and Li, Ze and Zhang, Chengsen and Feng, Baosheng and Zhou, Zhigui and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tpages = {3296--3301},\n}\n\n\n\n
\n
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\n In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules. In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.\n
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\n \n\n \n \n \n \n \n \n Evaluating agarwood products for 2-(2-phenylethyl)chromones using direct analysis in real time time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Lancaster, C.; and Espinoza, E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(23): 2649–2656. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{lancaster_evaluating_2012,\n\ttitle = {Evaluating agarwood products for 2-(2-phenylethyl)chromones using direct analysis in real time time-of-flight mass spectrometry},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6388},\n\tdoi = {10.1002/rcm.6388},\n\tabstract = {RATIONALE \n \nAgarwood is the resinous material harvested from threatened Aquilaria species. We investigated how many protonated 2-(2-phenylethyl)chromone ions were sufficient to make an accurate identification of agarwood. Analysis of 125 reference samples was carried out by direct analysis in real time time-of-flight mass spectrometry (DART-TOFMS). The identification criteria developed were applied to commercial samples. \n \nMETHODS \n \nWe developed a technique that uses DART-TOFMS to detect 2-(2-phenylethyl)chromones. Additionally, we developed a set of criteria to infer the presence of Aquilaria in commercial samples of wood chips, sawdust, incense and liquids. Additionally, we examined other fragrant woods to determine if they contained a chemical profile that could be falsely identified as agarwood. \n \nRESULTS \n \nAnalysis of reference and commercial samples (n = 151) established that DART-TOFMS provides reproducible mass spectra that are useful for inferring the genus of suspected agarwood samples. We identified 17 ions which were useful for authenticating agarwood. Comparison of the number of chromone ions detected by direct analyses of dry wood chips versus eluent analysis of methanol-extracted wood showed that results were similar. Lastly, analysis of 25 scented woods of other species did not give false positive results. \n \nCONCLUSIONS \n \nReliable criteria for inferring agarwood include the presence of diagnostic ions, m/z 319.118 or 349.129, in addition to ten or more ions characteristic of 2-(2-phenylethyl)chromones. Wood anatomists challenged with difficult morphological identifications can use this tool to assist in their analyses. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {23},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Lancaster, Cady and Espinoza, Edgard},\n\tyear = {2012},\n\tpages = {2649--2656},\n}\n\n\n\n
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\n RATIONALE Agarwood is the resinous material harvested from threatened Aquilaria species. We investigated how many protonated 2-(2-phenylethyl)chromone ions were sufficient to make an accurate identification of agarwood. Analysis of 125 reference samples was carried out by direct analysis in real time time-of-flight mass spectrometry (DART-TOFMS). The identification criteria developed were applied to commercial samples. METHODS We developed a technique that uses DART-TOFMS to detect 2-(2-phenylethyl)chromones. Additionally, we developed a set of criteria to infer the presence of Aquilaria in commercial samples of wood chips, sawdust, incense and liquids. Additionally, we examined other fragrant woods to determine if they contained a chemical profile that could be falsely identified as agarwood. RESULTS Analysis of reference and commercial samples (n = 151) established that DART-TOFMS provides reproducible mass spectra that are useful for inferring the genus of suspected agarwood samples. We identified 17 ions which were useful for authenticating agarwood. Comparison of the number of chromone ions detected by direct analyses of dry wood chips versus eluent analysis of methanol-extracted wood showed that results were similar. Lastly, analysis of 25 scented woods of other species did not give false positive results. CONCLUSIONS Reliable criteria for inferring agarwood include the presence of diagnostic ions, m/z 319.118 or 349.129, in addition to ten or more ions characteristic of 2-(2-phenylethyl)chromones. Wood anatomists challenged with difficult morphological identifications can use this tool to assist in their analyses. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Detection of nitro-organic and peroxide explosives in latent fingermarks by DART- and SALDI-TOF-mass spectrometry.\n \n \n \n \n\n\n \n Rowell, F.; Seviour, J.; Lim, A. Y.; Elumbaring-Salazar, C. G.; Loke, J.; and Ma, J.\n\n\n \n\n\n\n Forensic Science International, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rowell_detection_2012,\n\ttitle = {Detection of nitro-organic and peroxide explosives in latent fingermarks by {DART}- and {SALDI}-{TOF}-mass spectrometry},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073812001703},\n\tdoi = {10.1016/j.forsciint.2012.04.007},\n\tabstract = {The ability of two mass spectrometric methods, surface-assisted laser desorption/ionization-time of flight-mass spectrometry (SALDI-TOF-MS) and direct analysis in real time (DART-MS), to detect the presence of seven common explosives (six nitro-organic- and one peroxide-type) in spiked latent fingermarks has been examined. It was found that each explosive could be detected with nanogram sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-TOF-MS for marks pre-dusted with one type of commercial black magnetic powder. These explosives also could be detected in latent marks lifted from six common surfaces (paper, plastic bag, metal drinks can, wood laminate, adhesive tape and white ceramic tile) whereas no explosive could be detected in equivalent pre-dusted marks on the surface of a commercial lifting tape by the DART-MS method due to high background interference from the tape material. The presence of TNT and Tetryl could be detected in pre-dusted latent fingermarks on a commercial lifting tape for up to 29 days sealed and stored under ambient conditions.},\n\tnumber = {0},\n\tjournal = {Forensic Science International},\n\tauthor = {Rowell, Frederick and Seviour, John and Lim, Angelina Yimei and Elumbaring-Salazar, Cheryl Grace and Loke, Jason and Ma, Jan},\n\tyear = {2012},\n\tkeywords = {Contact residues, DART-mass spectrometry, Dusting powder, Lifted latent fingermarks, Nitro-organic and peroxide explosives, SALDI-TOF-mass spectrometry, Stability},\n}\n\n\n\n
\n
\n\n\n
\n The ability of two mass spectrometric methods, surface-assisted laser desorption/ionization-time of flight-mass spectrometry (SALDI-TOF-MS) and direct analysis in real time (DART-MS), to detect the presence of seven common explosives (six nitro-organic- and one peroxide-type) in spiked latent fingermarks has been examined. It was found that each explosive could be detected with nanogram sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-TOF-MS for marks pre-dusted with one type of commercial black magnetic powder. These explosives also could be detected in latent marks lifted from six common surfaces (paper, plastic bag, metal drinks can, wood laminate, adhesive tape and white ceramic tile) whereas no explosive could be detected in equivalent pre-dusted marks on the surface of a commercial lifting tape by the DART-MS method due to high background interference from the tape material. The presence of TNT and Tetryl could be detected in pre-dusted latent fingermarks on a commercial lifting tape for up to 29 days sealed and stored under ambient conditions.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry: rapid analysis of soft medicinal formulations.\n \n \n \n \n\n\n \n Abramovich, R.; and Revel’skii, I.\n\n\n \n\n\n\n Pharmaceutical Chemistry Journal, 45(11): 698–700. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{abramovich_dart_2012,\n\ttitle = {{DART} mass spectrometry: rapid analysis of soft medicinal formulations},\n\tvolume = {45},\n\tissn = {0091-150X},\n\turl = {http://dx.doi.org/10.1007/s11094-012-0705-4},\n\tabstract = {The possibility of using the DART mass spectrometry method for rapid analysis of soft medicinal formulations is considered. Studies of “tetracycline”, “Sintomycin Liniment”, and “Levomecol” creams and suppositories based on hard fat were studied. The possibility of using this method for the rapid screening of medicinal formulations in search of counterfeits is discussed. This is the first report of the analysis of suppositories using DART mass spectrometry.},\n\tnumber = {11},\n\tjournal = {Pharmaceutical Chemistry Journal},\n\tauthor = {Abramovich, R. and Revel’skii, I.},\n\tyear = {2012},\n\tpages = {698--700},\n}\n\n\n\n
\n
\n\n\n
\n The possibility of using the DART mass spectrometry method for rapid analysis of soft medicinal formulations is considered. Studies of “tetracycline”, “Sintomycin Liniment”, and “Levomecol” creams and suppositories based on hard fat were studied. The possibility of using this method for the rapid screening of medicinal formulations in search of counterfeits is discussed. This is the first report of the analysis of suppositories using DART mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Chemometric Classification of Morphologically Similar Umbelliferae Medicinal Herbs by DART-TOF-MS Fingerprint.\n \n \n \n \n\n\n \n Lee, S. M.; Kim, H.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,n/a. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ChemometricPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{lee_chemometric_2012,\n\ttitle = {Chemometric {Classification} of {Morphologically} {Similar} {Umbelliferae} {Medicinal} {Herbs} by {DART}-{TOF}-{MS} {Fingerprint}},\n\tissn = {1099-1565},\n\turl = {http://dx.doi.org/10.1002/pca.2348},\n\tdoi = {10.1002/pca.2348},\n\tabstract = {Introduction\nIt needs many years of special training to gain expertise on the organoleptic classification of botanical raw materials and, even for those experts, discrimination among Umbelliferae medicinal herbs remains an intricate challenge due to their morphological similarity. \nObjective\nTo develop a new chemometric classification method using a direct analysis in real time–time of flight–mass spectrometry (DART-TOF-MS) fingerprinting for Umbelliferae medicinal herbs and to provide a platform for its application to the discrimination of other herbal medicines. \nMethodology\nAngelica tenuissima, Angelica gigas, Angelica dahurica and Cnidium officinale were chosen for this study and ten samples of each species were purchased from various Korean markets. DART-TOF-MS was employed on powdered raw materials to obtain a chemical fingerprint of each sample and the orthogonal partial-least squares method in discriminant analysis (OPLS-DA) was used for multivariate analysis. \nResults\nAll samples of collected species were successfully discriminated from each other according to their characteristic DART-TOF-MS fingerprint. Decursin (or decursinol angelate) and byakangelicol were identified as marker molecules for Angelica gigas and A. dahurica, respectively. Using the OPLS method for discriminant analysis, Angelica tenuissima and Cnidium officinale were clearly separated into two groups. Angelica tenuissima was characterised by the presence of ligustilide and unidentified molecular ions of m/z 239 and 283, while senkyunolide A together with signals with m/z 387 and 389 were the marker compounds for Cnidium officinale. \nConclusion\nElaborating with chemoinformatics, DART-TOF-MS fingerprinting with chemoinformatic tools results in a powerful method for the classification of morphologically similar Umbelliferae medicinal herbs and quality control of medicinal herbal products, including the extracts of these crude drugs. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Lee, Sang Min and Kim, Hye-Jin and Jang, Young Pyo},\n\tyear = {2012},\n\tkeywords = {DART-TOF-MS, DART-TOF-MS; multivariate analysis; OPLS-DA; metabolomics; Umbelliferae; AccuTOF, OPLS-DA, Umbelliferae, metabolomics, multivariate analysis},\n\tpages = {n/a},\n}\n\n\n\n
\n
\n\n\n
\n Introduction It needs many years of special training to gain expertise on the organoleptic classification of botanical raw materials and, even for those experts, discrimination among Umbelliferae medicinal herbs remains an intricate challenge due to their morphological similarity. Objective To develop a new chemometric classification method using a direct analysis in real time–time of flight–mass spectrometry (DART-TOF-MS) fingerprinting for Umbelliferae medicinal herbs and to provide a platform for its application to the discrimination of other herbal medicines. Methodology Angelica tenuissima, Angelica gigas, Angelica dahurica and Cnidium officinale were chosen for this study and ten samples of each species were purchased from various Korean markets. DART-TOF-MS was employed on powdered raw materials to obtain a chemical fingerprint of each sample and the orthogonal partial-least squares method in discriminant analysis (OPLS-DA) was used for multivariate analysis. Results All samples of collected species were successfully discriminated from each other according to their characteristic DART-TOF-MS fingerprint. Decursin (or decursinol angelate) and byakangelicol were identified as marker molecules for Angelica gigas and A. dahurica, respectively. Using the OPLS method for discriminant analysis, Angelica tenuissima and Cnidium officinale were clearly separated into two groups. Angelica tenuissima was characterised by the presence of ligustilide and unidentified molecular ions of m/z 239 and 283, while senkyunolide A together with signals with m/z 387 and 389 were the marker compounds for Cnidium officinale. Conclusion Elaborating with chemoinformatics, DART-TOF-MS fingerprinting with chemoinformatic tools results in a powerful method for the classification of morphologically similar Umbelliferae medicinal herbs and quality control of medicinal herbal products, including the extracts of these crude drugs. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Where is the next high? - Rapid identification of synthetic cannabinoids in \"Spice\" products.\n \n \n \n\n\n \n Huang, L.; Veltri, M.; Cody, R. B.; Dane, A. J.; Rivera, A.; Marino, M. A.; and Kim, W. J.\n\n\n \n\n\n\n Forensic Science International, submitted. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{huang_where_2012,\n\ttitle = {Where is the next high? - {Rapid} identification of synthetic cannabinoids in "{Spice}" products},\n\tvolume = {submitted},\n\tjournal = {Forensic Science International},\n\tauthor = {Huang, Ling and Veltri, Mercurio and Cody, Robert B. and Dane, A. John and Rivera, Amanda and Marino, Michael A. and Kim, Woen J.},\n\tyear = {2012},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization.\n \n \n \n \n\n\n \n He, X.; Xie, Z.; Gao, Y.; Hu, W.; Guo, L.; Jiang, L.; and Lu, Y.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 67: 64–73. January 2012.\n \n\n\n\n
\n\n\n\n \n \n \"MassPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{he_mass_2012,\n\ttitle = {Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization},\n\tvolume = {67},\n\tissn = {05848547},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0584854712000055},\n\tdoi = {10.1016/j.sab.2012.01.003},\n\tabstract = {Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {He, X.N. and Xie, Z.Q. and Gao, Y. and Hu, W. and Guo, L.B. and Jiang, L. and Lu, Y.F.},\n\tmonth = jan,\n\tyear = {2012},\n\tkeywords = {LI-TOFMS; DART; Laser-induced plasma; LIBS; AccuTOF},\n\tpages = {64--73},\n}\n\n\n\n
\n
\n\n\n
\n Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.\n
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\n \n\n \n \n \n \n \n \n Fingerprinting food: current technologies for the detection of food adulteration and contamination.\n \n \n \n \n\n\n \n Ellis, D. I.; Brewster, V. L.; Dunn, W. B.; Allwood, J. W.; Golovanov, A. P.; and Goodacre, R.\n\n\n \n\n\n\n Chem. Soc. Rev.. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"FingerprintingPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{ellis_fingerprinting_2012,\n\ttitle = {Fingerprinting food: current technologies for the detection of food adulteration and contamination},\n\tissn = {0306-0012},\n\turl = {http://dx.doi.org/10.1039/C2CS35138B},\n\tabstract = {Major food adulteration and contamination events seem to occur with some regularity, such as the widely publicised adulteration of milk products with melamine and the recent microbial contamination of vegetables across Europe for example. With globalisation and rapid distribution systems, these can have international impacts with far-reaching and sometimes lethal consequences. These events, though potentially global in the modern era, are in fact far from contemporary, and deliberate adulteration of food products is probably as old as the food processing and production systems themselves. This review first introduces some background into these practices, both historically and contemporary, before introducing a range of the technologies currently available for the detection of food adulteration and contamination. These methods include the vibrational spectroscopies: near-infrared, mid-infrared, Raman; NMR spectroscopy, as well as a range of mass spectrometry (MS) techniques, amongst others. This subject area is particularly relevant at this time, as it not only concerns the continuous engagement with food adulterers, but also more recent issues such as food security, bioterrorism and climate change. It is hoped that this introductory overview acts as a springboard for researchers in science, technology, engineering, and industry, in this era of systems-level thinking and interdisciplinary approaches to new and contemporary problems.},\n\tjournal = {Chem. Soc. Rev.},\n\tauthor = {Ellis, David I. and Brewster, Victoria L. and Dunn, Warwick B. and Allwood, J. William and Golovanov, Alexander P. and Goodacre, Royston},\n\tyear = {2012},\n}\n\n\n\n
\n
\n\n\n
\n Major food adulteration and contamination events seem to occur with some regularity, such as the widely publicised adulteration of milk products with melamine and the recent microbial contamination of vegetables across Europe for example. With globalisation and rapid distribution systems, these can have international impacts with far-reaching and sometimes lethal consequences. These events, though potentially global in the modern era, are in fact far from contemporary, and deliberate adulteration of food products is probably as old as the food processing and production systems themselves. This review first introduces some background into these practices, both historically and contemporary, before introducing a range of the technologies currently available for the detection of food adulteration and contamination. These methods include the vibrational spectroscopies: near-infrared, mid-infrared, Raman; NMR spectroscopy, as well as a range of mass spectrometry (MS) techniques, amongst others. This subject area is particularly relevant at this time, as it not only concerns the continuous engagement with food adulterers, but also more recent issues such as food security, bioterrorism and climate change. It is hoped that this introductory overview acts as a springboard for researchers in science, technology, engineering, and industry, in this era of systems-level thinking and interdisciplinary approaches to new and contemporary problems.\n
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\n \n\n \n \n \n \n \n \n DART-Orbitrap MS: a novel mass spectrometric approach for the identification of phenolic compounds in propolis.\n \n \n \n \n\n\n \n Chernetsova, E.; Bromirski, M.; Scheibner, O.; and Morlock, G.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–9. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DART-OrbitrapPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_dart-orbitrap_2012,\n\ttitle = {{DART}-{Orbitrap} {MS}: a novel mass spectrometric approach for the identification of phenolic compounds in propolis},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5800-6},\n\tabstract = {This is the first direct analysis in real-time mass spectrometry (DART-MS) study of propolis and a first study on the analysis of bee products using high-resolution DART-MS (DART-HRMS). Identification of flavonoids and other phenolic compounds in propolis using direct analysis in real-time coupling with Orbitrap mass spectrometry (DART-Orbitrap MS) was performed in the negative ion mode for minimizing the matrix effects, while the positive ion mode was used for the confirmation of selected compounds. Possible elemental formulae were suggested for marker components. The duration of one sample analysis by DART-MS analysis lasted ca . 30 s, and all benefits of high-resolution mass spectrometry were used upon data processing using the coupling of DART with the Orbitrap mass spectrometer. The possibility for scanning analysis of dried propolis extract spots on a planar porous surface was investigated in the heated gas flow of the DART ion source with adjustable angle. As an independent method, the approach of scanning analysis is of high interest and of future potential for confirmation of the results obtained from liquid sample analysis. Scanning analysis is highly promising for further development in the bioanalytical field due to the convenience of the storage and transportation of dried sample spots.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Chernetsova, Elena and Bromirski, Maciej and Scheibner, Olaf and Morlock, Gertrud},\n\tyear = {2012},\n\tpages = {1--9},\n}\n\n\n\n
\n
\n\n\n
\n This is the first direct analysis in real-time mass spectrometry (DART-MS) study of propolis and a first study on the analysis of bee products using high-resolution DART-MS (DART-HRMS). Identification of flavonoids and other phenolic compounds in propolis using direct analysis in real-time coupling with Orbitrap mass spectrometry (DART-Orbitrap MS) was performed in the negative ion mode for minimizing the matrix effects, while the positive ion mode was used for the confirmation of selected compounds. Possible elemental formulae were suggested for marker components. The duration of one sample analysis by DART-MS analysis lasted ca . 30 s, and all benefits of high-resolution mass spectrometry were used upon data processing using the coupling of DART with the Orbitrap mass spectrometer. The possibility for scanning analysis of dried propolis extract spots on a planar porous surface was investigated in the heated gas flow of the DART ion source with adjustable angle. As an independent method, the approach of scanning analysis is of high interest and of future potential for confirmation of the results obtained from liquid sample analysis. Scanning analysis is highly promising for further development in the bioanalytical field due to the convenience of the storage and transportation of dried sample spots.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry for the rapid identification of four highly hazardous pesticides in agrochemicals.\n \n \n \n \n\n\n \n Wang, L.; Zhao, P.; Zhang, F.; Li, Y.; and Pan, C.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(16): 1859–1867. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry for the rapid identification of four highly hazardous pesticides in agrochemicals},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6274},\n\tdoi = {10.1002/rcm.6274},\n\tabstract = {RATIONALE\nDirect analysis in real time (DART) is a new ion source technique, which is conducted in the open air under ambient conditions, applied to the rapid and direct analysis of any material (gases, liquids, and solids) with minimal or no sample preparation. In order to take advantage of the capacity of DART mass spectrometry for the real-time analysis of hazardous ingredients in commercial agrochemicals, a pilot study of rapid qualitative determination of hazardous pesticides was performed. \nMETHODS\nHighly hazardous pesticides were identified by DART ionization coupled to a single-quadrupole mass spectrometer (DART-MS). Acetonitrile was chosen for dissolving samples prior to the analysis. Samples were analyzed by this technique in as little as 5 s. \nRESULTS\nPhorate, carbofuran, ethoprophos and fipronil were be detected directly from commercial agrochemicals. The ionization-related parameters (DART temperature, grid voltage and MS fragment) of these compounds were optimized to obtain highly response. Isotope patterns were taken into consideration for qualitative identification. Relative standard deviations (RSDs, n = 5) of 2.3–15.0\\% were obtained by measuring the relative abundance of selected isotopes. \nCONCLUSIONS\nThis study showed that DART-MS technology was able to qualitatively determine the existence of highly hazardous pesticides in commercial pesticide formulations. It is suggested that this technology should be applied for routine monitoring in the market. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {16},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Wang, Lei and Zhao, Pengyue and Zhang, Fengzu and Li, Yanjie and Pan, Canping},\n\tyear = {2012},\n\tpages = {1859--1867},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Direct analysis in real time (DART) is a new ion source technique, which is conducted in the open air under ambient conditions, applied to the rapid and direct analysis of any material (gases, liquids, and solids) with minimal or no sample preparation. In order to take advantage of the capacity of DART mass spectrometry for the real-time analysis of hazardous ingredients in commercial agrochemicals, a pilot study of rapid qualitative determination of hazardous pesticides was performed. METHODS Highly hazardous pesticides were identified by DART ionization coupled to a single-quadrupole mass spectrometer (DART-MS). Acetonitrile was chosen for dissolving samples prior to the analysis. Samples were analyzed by this technique in as little as 5 s. RESULTS Phorate, carbofuran, ethoprophos and fipronil were be detected directly from commercial agrochemicals. The ionization-related parameters (DART temperature, grid voltage and MS fragment) of these compounds were optimized to obtain highly response. Isotope patterns were taken into consideration for qualitative identification. Relative standard deviations (RSDs, n = 5) of 2.3–15.0% were obtained by measuring the relative abundance of selected isotopes. CONCLUSIONS This study showed that DART-MS technology was able to qualitatively determine the existence of highly hazardous pesticides in commercial pesticide formulations. It is suggested that this technology should be applied for routine monitoring in the market. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry for analysis of sexual assault evidence.\n \n \n \n \n\n\n \n Musah, R. A.; Cody, R. B.; Dane, A. J.; Vuong, A. L.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1039–1046. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{musah_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry for analysis of sexual assault evidence},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6198},\n\tdoi = {10.1002/rcm.6198},\n\tabstract = {RATIONALE\nSexual assault crimes are vastly underreported and suffer from alarmingly low prosecution and conviction rates. The key scientific method to aid in prosecution of such cases is forensic DNA analysis, where biological evidence such as semen collected using a rape test kit is used to determine a suspect's DNA profile. However, the growing awareness by criminals of the importance of DNA in the prosecution of sexual assaults has resulted in increased condom use by assailants as a means to avoid leaving behind their DNA. Thus, other types of trace evidence are important to help corroborate victims' accounts, exonerate the innocent, link suspects to the crime, or confirm penetration. \nMETHODS\nDirect Analysis in Real Time Mass Spectrometry (DART-MS) was employed for the comprehensive characterization of non-DNA trace evidence associated with sexual assault. The ambient ionization method associated with DART-MS is extremely rapid and samples are processed instantaneously, without the need for extraction, sample preparation, or other means that might compromise forensic evidence for future analyses. \nRESULTS\nIn a single assay, we demonstrated the ability to identify lubricant formulations associated with sexual assault, such as the spermicide nonoxynol-9, compounds used in condom manufacture, and numerous other trace components as probative evidence. In addition, the method can also serve to identify compounds within trace biological residues, such as fatty acids commonly identified in latent fingerprints. \nCONCLUSIONS\nCharacterization of lubricant residues as probative evidence serves to establish a connection between the victim and the perpetrator, and the availability of these details may lead to higher rates of prosecution and conviction, as well as more severe penalties. The methodology described here opens the way for the adoption of a comprehensive, rapid, and sensitive analysis for use in crime labs, while providing knowledge that can inform and guide criminal justice policy and practice. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Cody, Robert B. and Dane, A. John and Vuong, Angela L. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1039--1046},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Sexual assault crimes are vastly underreported and suffer from alarmingly low prosecution and conviction rates. The key scientific method to aid in prosecution of such cases is forensic DNA analysis, where biological evidence such as semen collected using a rape test kit is used to determine a suspect's DNA profile. However, the growing awareness by criminals of the importance of DNA in the prosecution of sexual assaults has resulted in increased condom use by assailants as a means to avoid leaving behind their DNA. Thus, other types of trace evidence are important to help corroborate victims' accounts, exonerate the innocent, link suspects to the crime, or confirm penetration. METHODS Direct Analysis in Real Time Mass Spectrometry (DART-MS) was employed for the comprehensive characterization of non-DNA trace evidence associated with sexual assault. The ambient ionization method associated with DART-MS is extremely rapid and samples are processed instantaneously, without the need for extraction, sample preparation, or other means that might compromise forensic evidence for future analyses. RESULTS In a single assay, we demonstrated the ability to identify lubricant formulations associated with sexual assault, such as the spermicide nonoxynol-9, compounds used in condom manufacture, and numerous other trace components as probative evidence. In addition, the method can also serve to identify compounds within trace biological residues, such as fatty acids commonly identified in latent fingerprints. CONCLUSIONS Characterization of lubricant residues as probative evidence serves to establish a connection between the victim and the perpetrator, and the availability of these details may lead to higher rates of prosecution and conviction, as well as more severe penalties. The methodology described here opens the way for the adoption of a comprehensive, rapid, and sensitive analysis for use in crime labs, while providing knowledge that can inform and guide criminal justice policy and practice. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Application of Direct Analysis in Real Time Mass Spectrometry (DART-MS) for Identification of an Epiphytic Cyanobacterium, Nostoc Sp.\n \n \n \n \n\n\n \n Singh, S.; and Verma, S. K.\n\n\n \n\n\n\n Analytical Letters, 45(17): 2562–2568. May 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{singh_application_2012,\n\ttitle = {Application of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) for {Identification} of an {Epiphytic} {Cyanobacterium}, {Nostoc} {Sp}.},\n\tvolume = {45},\n\tissn = {0003-2719},\n\turl = {http://dx.doi.org/10.1080/00032719.2012.694940},\n\tdoi = {10.1080/00032719.2012.694940},\n\tabstract = {Cyanobacteria, a diverse group of bacteria are identified entirely on the basis of morphological characters, which can frequently lead to incorrect results; therefore, the present study reports a new approach for identification of an organism based on DART technique. Direct Analysis in Real Time Mass Spectrometry (DART-MS) was used to identify a cyanobacterium, isolated from the leaf surface, on the basis of characteristic chemical compounds present in the strain. A chemical fingerprint was generated and peaks obtained were found to be similar to the masses of the compounds reported for Nostoc sp.},\n\tnumber = {17},\n\turldate = {2012-11-28},\n\tjournal = {Analytical Letters},\n\tauthor = {Singh, Shachi and Verma, S. K.},\n\tmonth = may,\n\tyear = {2012},\n\tpages = {2562--2568},\n}\n\n\n\n
\n
\n\n\n
\n Cyanobacteria, a diverse group of bacteria are identified entirely on the basis of morphological characters, which can frequently lead to incorrect results; therefore, the present study reports a new approach for identification of an organism based on DART technique. Direct Analysis in Real Time Mass Spectrometry (DART-MS) was used to identify a cyanobacterium, isolated from the leaf surface, on the basis of characteristic chemical compounds present in the strain. A chemical fingerprint was generated and peaks obtained were found to be similar to the masses of the compounds reported for Nostoc sp.\n
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\n \n\n \n \n \n \n \n \n DART MS based chemical profiling for therapeutic potential of Piper betle landraces.\n \n \n \n \n\n\n \n Bajpai, V; Pandey, R; Negi, M.; Kumar, N; and Kumar, B\n\n\n \n\n\n\n Natural product communications, 7(12): 1627–1629. December 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{bajpai_dart_2012,\n\ttitle = {{DART} {MS} based chemical profiling for therapeutic potential of {Piper} betle landraces.},\n\tvolume = {7},\n\turl = {http://europepmc.org/abstract/MED/23413569},\n\tabstract = {Piper betle Linn. leaves are traditionally used as a folk medicine in India and other Asiatic countries. Twenty-one P. betle landraces were analyzed using a Direct Analysis in Real Time (DART) mass spectral technique and evaluated on the basis of molecules detected in the leaves. Clustering of landraces based on three well known biologically active phenols (m/z 151,165,193) showed two broad groups with high and low phenol contents suggesting differences in their therapeutic potential. Findings of this study could be useful in rapid screening of the landraces for determining their medicinal potential and optimum utilization of the bioresource.},\n\tnumber = {12},\n\tjournal = {Natural product communications},\n\tauthor = {Bajpai, V and Pandey, R and Negi, MP and Kumar, N and Kumar, B},\n\tmonth = dec,\n\tyear = {2012},\n\tkeywords = {Calibration, Computer Systems, Drug Evaluation, Preclinical, Oils, Volatile, Phenols, Piper betle, Plant Leaves, Software, mass spectrometry},\n\tpages = {1627--1629},\n}\n\n\n\n
\n
\n\n\n
\n Piper betle Linn. leaves are traditionally used as a folk medicine in India and other Asiatic countries. Twenty-one P. betle landraces were analyzed using a Direct Analysis in Real Time (DART) mass spectral technique and evaluated on the basis of molecules detected in the leaves. Clustering of landraces based on three well known biologically active phenols (m/z 151,165,193) showed two broad groups with high and low phenol contents suggesting differences in their therapeutic potential. Findings of this study could be useful in rapid screening of the landraces for determining their medicinal potential and optimum utilization of the bioresource.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry and multivariate data analysis: A novel approach to rapid identification of analytical markers for quality control of traditional Chinese medicine preparation.\n \n \n \n \n\n\n \n Zeng, S.; Wang, L.; Chen, T.; Wang, Y.; Mo, H.; and Qu, H.\n\n\n \n\n\n\n Analytica Chimica Acta, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zeng_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry and multivariate data analysis: {A} novel approach to rapid identification of analytical markers for quality control of traditional {Chinese} medicine preparation},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S000326701200596X},\n\tdoi = {10.1016/j.aca.2012.04.025},\n\tabstract = {The paper presents a novel strategy to identify analytical markers of traditional Chinese medicine preparation (TCMP) rapidly via direct analysis in real time mass spectrometry (DART-MS). A commonly used TCMP, Danshen injection, was employed as a model. The optimal analysis conditions were achieved by measuring the contribution of various experimental parameters to the mass spectra. Salvianolic acids and saccharides were simultaneously determined within a single 1-min DART-MS run. Furthermore, spectra of Danshen injections supplied by five manufacturers were processed with principal component analysis (PCA). Obvious clustering was observed in the PCA score plot, and candidate markers were recognized from the contribution plots of PCA. The suitability of potential markers was then confirmed by contrasting with the results of traditional analysis methods. Using this strategy, fructose, glucose, sucrose, protocatechuic aldehyde and salvianolic acid A were rapidly identified as the markers of Danshen injections. The combination of DART-MS with PCA provides a reliable approach to the identification of analytical markers for quality control of TCMP.},\n\tnumber = {0},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zeng, Shanshan and Wang, Lu and Chen, Teng and Wang, Yuefei and Mo, Huanbiao and Qu, Haibin},\n\tyear = {2012},\n\tkeywords = {Analytical marker, Direct analysis in real time, Principal component analysis, Traditional Chinese medicine preparation, mass spectrometry},\n}\n\n\n\n
\n
\n\n\n
\n The paper presents a novel strategy to identify analytical markers of traditional Chinese medicine preparation (TCMP) rapidly via direct analysis in real time mass spectrometry (DART-MS). A commonly used TCMP, Danshen injection, was employed as a model. The optimal analysis conditions were achieved by measuring the contribution of various experimental parameters to the mass spectra. Salvianolic acids and saccharides were simultaneously determined within a single 1-min DART-MS run. Furthermore, spectra of Danshen injections supplied by five manufacturers were processed with principal component analysis (PCA). Obvious clustering was observed in the PCA score plot, and candidate markers were recognized from the contribution plots of PCA. The suitability of potential markers was then confirmed by contrasting with the results of traditional analysis methods. Using this strategy, fructose, glucose, sucrose, protocatechuic aldehyde and salvianolic acid A were rapidly identified as the markers of Danshen injections. The combination of DART-MS with PCA provides a reliable approach to the identification of analytical markers for quality control of TCMP.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time by Mass Spectrometric Technique for Determining the Variation in Metabolite Profiles of Cinnamomum tamala Nees and Eberm Genotypes.\n \n \n \n \n\n\n \n Singh, V.; Gupta, A. K.; Singh, S. P.; and Kumar, A.\n\n\n \n\n\n\n The Scientific World Journal, 2012: 6. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{singh_direct_2012,\n\ttitle = {Direct {Analysis} in {Real} {Time} by {Mass} {Spectrometric} {Technique} for {Determining} the {Variation} in {Metabolite} {Profiles} of {Cinnamomum} tamala {Nees} and {Eberm} {Genotypes}},\n\tvolume = {2012},\n\turl = {http://dx.doi.org/10.1100/2012/549265},\n\tabstract = {Cinnamomum tamala Nees \\& Eberm. is an important traditional  medicinal plant, mentioned in various ancient  literatures such as Ayurveda. Several of its medicinal properties have recently been proved. To characterize diversity in terms of metabolite profiles of Cinnamomum tamala Nees and Eberm genotypes, a newly emerging mass spectral ionization technique direct time in real time (DART) is very helpful. The DART ion source has been used to analyze an extremely wide range of phytochemicals present in leaves of Cinnamomum tamala. Ten genotypes were assessed for the presence of different phytochemicals. Phytochemical analysis showed the presence of mainly terpenes and phenols. These constituents vary in the different genotypes of Cinnamomum tamala. Principal component analysis has also been employed to analyze the DART data of these Cinnamomum genotypes. The result shows that the genotype of Cinnamomum tamala could be differentiated using DART MS data. The active components present in Cinnamomum tamala may be contributing significantly to high amount of antioxidant property of leaves and, in turn, conditional effects for diabetic patients.},\n\tjournal = {The Scientific World Journal},\n\tauthor = {Singh, Vineeta and Gupta, Atul Kumar and Singh, S. P. and Kumar, Anil},\n\tyear = {2012},\n\tpages = {6},\n}\n\n\n\n
\n
\n\n\n
\n Cinnamomum tamala Nees & Eberm. is an important traditional medicinal plant, mentioned in various ancient literatures such as Ayurveda. Several of its medicinal properties have recently been proved. To characterize diversity in terms of metabolite profiles of Cinnamomum tamala Nees and Eberm genotypes, a newly emerging mass spectral ionization technique direct time in real time (DART) is very helpful. The DART ion source has been used to analyze an extremely wide range of phytochemicals present in leaves of Cinnamomum tamala. Ten genotypes were assessed for the presence of different phytochemicals. Phytochemical analysis showed the presence of mainly terpenes and phenols. These constituents vary in the different genotypes of Cinnamomum tamala. Principal component analysis has also been employed to analyze the DART data of these Cinnamomum genotypes. The result shows that the genotype of Cinnamomum tamala could be differentiated using DART MS data. The active components present in Cinnamomum tamala may be contributing significantly to high amount of antioxidant property of leaves and, in turn, conditional effects for diabetic patients.\n
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\n \n\n \n \n \n \n \n \n Rapid control of Chinese star anise fruits and teas for neurotoxic anisatin by Direct Analysis in Real Time (DART) high resolution mass spectrometry.\n \n \n \n \n\n\n \n Shen, Y.; van Beek, T. A.; Claassen, F. W.; Zuilhof, H.; Chen, B.; and Nielen, M. W.\n\n\n \n\n\n\n Journal of Chromatography A, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{shen_rapid_2012,\n\ttitle = {Rapid control of {Chinese} star anise fruits and teas for neurotoxic anisatin by {Direct} {Analysis} in {Real} {Time} ({DART}) high resolution mass spectrometry},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967312004712},\n\tdoi = {10.1016/j.chroma.2012.03.058},\n\tabstract = {After ingestion, products containing Chinese star anise (Illicium verum) contaminated or adulterated with Japanese star anise (Illicium anisatum) or other Illicium species, can cause epilepsy, hallucinations, and nausea due to the rare neurotoxic sesquiterpene dilactone anisatin that is present in Japanese star anise. Thus a rapid, simple and unambiguous method for distinguishing between the morphologically similar Chinese star anise and toxic Japanese star anise is important for food safety issues. Direct Analysis in Real Time (DART) ambient ionisation coupled with orbitrap high resolution mass spectrometry allowed the recording of mass spectra of anisatin in solid star anise fruits in seconds without any prior sample pretreatment. Spectra could be obtained in both positive ([M+NH4]+ at m/z 346.1496, C15H24NO8) and negative mode ([M−H]− at m/z 327.1074, C15H19O8) and gave the same outcome provided a mass resolution of at least 27,000 is available. The anisatin signal was typically \\&gt;1000 times larger in Japanese star anise than in Chinese star anise thus allowing an unequivocal qualitative determination. Herbal teas containing star anise fragments too small to be visually recognised, could be analysed by preparing a tea in 6\\&\\#xa0;min and subsequently sampling ∼2\\&\\#xa0;μL of tea on a glass rod. None of the 8 investigated retail teas contained significant quantities of anisatin. Spiking a complex herbal tea containing Chinese star anise with an equally concentrated tea prepared from Japanese star anise provided a linear calibration curve (R2\\&\\#xa0;≥\\&\\#xa0;0.995) after normalising on a native constituent of Chinese star anise (standard addition method). This showed that adulteration down to 1\\% (w/w) is still measurable. Compared with existing PCR, TLC, GC–MS and HPLC–ESI-MS/MS procedures, the proposed DART–HRMS procedure is faster and simpler and moreover measures the actual biotoxin.},\n\tnumber = {0},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Shen, Yao and van Beek, Teris A. and Claassen, Frank W. and Zuilhof, Han and Chen, Bo and Nielen, Michel W.F.},\n\tyear = {2012},\n\tkeywords = {Anisatin, Biotoxin, DART, Food analysis, Star anise, mass spectrometry},\n}\n\n\n\n
\n
\n\n\n
\n After ingestion, products containing Chinese star anise (Illicium verum) contaminated or adulterated with Japanese star anise (Illicium anisatum) or other Illicium species, can cause epilepsy, hallucinations, and nausea due to the rare neurotoxic sesquiterpene dilactone anisatin that is present in Japanese star anise. Thus a rapid, simple and unambiguous method for distinguishing between the morphologically similar Chinese star anise and toxic Japanese star anise is important for food safety issues. Direct Analysis in Real Time (DART) ambient ionisation coupled with orbitrap high resolution mass spectrometry allowed the recording of mass spectra of anisatin in solid star anise fruits in seconds without any prior sample pretreatment. Spectra could be obtained in both positive ([M+NH4]+ at m/z 346.1496, C15H24NO8) and negative mode ([M−H]− at m/z 327.1074, C15H19O8) and gave the same outcome provided a mass resolution of at least 27,000 is available. The anisatin signal was typically >1000 times larger in Japanese star anise than in Chinese star anise thus allowing an unequivocal qualitative determination. Herbal teas containing star anise fragments too small to be visually recognised, could be analysed by preparing a tea in 6 min and subsequently sampling ∼2 μL of tea on a glass rod. None of the 8 investigated retail teas contained significant quantities of anisatin. Spiking a complex herbal tea containing Chinese star anise with an equally concentrated tea prepared from Japanese star anise provided a linear calibration curve (R2 ≥ 0.995) after normalising on a native constituent of Chinese star anise (standard addition method). This showed that adulteration down to 1% (w/w) is still measurable. Compared with existing PCR, TLC, GC–MS and HPLC–ESI-MS/MS procedures, the proposed DART–HRMS procedure is faster and simpler and moreover measures the actual biotoxin.\n
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\n \n\n \n \n \n \n \n \n Assessing the capabilities of direct analysis in real time mass spectrometry for 5-hydroxymethylfurfural quantitation in honey.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 314(0): 22–32. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AssessingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{chernetsova_assessing_2012,\n\ttitle = {Assessing the capabilities of direct analysis in real time mass spectrometry for 5-hydroxymethylfurfural quantitation in honey},\n\tvolume = {314},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380612000280},\n\tdoi = {10.1016/j.ijms.2012.01.012},\n\tabstract = {The limitations of direct analysis in real time mass spectrometry (DART-MS) were shown with the example of 5-hydroxymethylfurfural (HMF) quantitation in honey. An accurate analyte quantitation was impossible because the carbohydrate matrix partially degraded to the analyte in the ionization region. However, at a decreased DART temperature of 150\\&\\#xa0;°C, the DART-MS screening was possible using two spiked reference samples. The influence of instrumental parameters on the composition of the DART mass spectra for HMF and carbohydrates was investigated. Also, first data on scanning surface analysis with DART-MS were obtained giving rise for further studies in this direction.},\n\tnumber = {0},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tyear = {2012},\n\tkeywords = {5-Hydroxymethylfurfural, Carbohydrates, Direct analysis in real time mass spectrometry, Direct analysis in real time mass spectrometry; Honey; 5-Hydroxymethylfurfural; HMF; Carbohydrates; Screening assays, HMF, Honey, Screening},\n\tpages = {22--32},\n}\n\n\n\n
\n
\n\n\n
\n The limitations of direct analysis in real time mass spectrometry (DART-MS) were shown with the example of 5-hydroxymethylfurfural (HMF) quantitation in honey. An accurate analyte quantitation was impossible because the carbohydrate matrix partially degraded to the analyte in the ionization region. However, at a decreased DART temperature of 150 °C, the DART-MS screening was possible using two spiked reference samples. The influence of instrumental parameters on the composition of the DART mass spectra for HMF and carbohydrates was investigated. Also, first data on scanning surface analysis with DART-MS were obtained giving rise for further studies in this direction.\n
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\n \n\n \n \n \n \n \n \n Analysis of select Dalbergia and trade timber using direct analysis in real time and time-of-flight mass spectrometry for CITES enforcement.\n \n \n \n \n\n\n \n Lancaster, C.; and Espinoza, E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1147–1156. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{lancaster_analysis_2012,\n\ttitle = {Analysis of select {Dalbergia} and trade timber using direct analysis in real time and time-of-flight mass spectrometry for {CITES} enforcement},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6215},\n\tdoi = {10.1002/rcm.6215},\n\tabstract = {RATIONALE\nInternational trade of several Dalbergia wood species is regulated by The Convention on International Trade in Endangered Species of Wild Fauna and Flora (CITES). In order to supplement morphological identification of these species, a rapid chemical method of analysis was developed. \nMETHODS\nUsing Direct Analysis in Real Time (DART) ionization coupled with Time-of-Flight (TOF) Mass Spectrometry (MS), selected Dalbergia and common trade species were analyzed. Each of the 13 wood species was classified using principal component analysis and linear discriminant analysis (LDA). These statistical data clusters served as reliable anchors for species identification of unknowns. \nRESULTS\nAnalysis of 20 or more samples from the 13 species studied in this research indicates that the DART-TOFMS results are reproducible. Statistical analysis of the most abundant ions gave good classifications that were useful for identifying unknown wood samples. \nCONCLUSIONS\nDART-TOFMS and LDA analysis of 13 species of selected timber samples and the statistical classification allowed for the correct assignment of unknown wood samples. This method is rapid and can be useful when anatomical identification is difficult but needed in order to support CITES enforcement. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Lancaster, Cady and Espinoza, Edgard},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1147--1156},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n RATIONALE International trade of several Dalbergia wood species is regulated by The Convention on International Trade in Endangered Species of Wild Fauna and Flora (CITES). In order to supplement morphological identification of these species, a rapid chemical method of analysis was developed. METHODS Using Direct Analysis in Real Time (DART) ionization coupled with Time-of-Flight (TOF) Mass Spectrometry (MS), selected Dalbergia and common trade species were analyzed. Each of the 13 wood species was classified using principal component analysis and linear discriminant analysis (LDA). These statistical data clusters served as reliable anchors for species identification of unknowns. RESULTS Analysis of 20 or more samples from the 13 species studied in this research indicates that the DART-TOFMS results are reproducible. Statistical analysis of the most abundant ions gave good classifications that were useful for identifying unknown wood samples. CONCLUSIONS DART-TOFMS and LDA analysis of 13 species of selected timber samples and the statistical classification allowed for the correct assignment of unknown wood samples. This method is rapid and can be useful when anatomical identification is difficult but needed in order to support CITES enforcement. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Normal phase LC coupled with DART-MS for the chiral analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol and jasmonic acid.\n \n \n \n \n\n\n \n Chang, C.; Zhou, Z.; Yang, Y.; Han, Y.; Bai, Y.; Zhao, M.; and Liu, H.\n\n\n \n\n\n\n ELECTROPHORESIS,n/a. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"NormalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{chang_normal_2012,\n\ttitle = {Normal phase {LC} coupled with {DART}-{MS} for the chiral analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol and jasmonic acid},\n\tissn = {1522-2683},\n\turl = {http://dx.doi.org/10.1002/elps.201200122},\n\tdoi = {10.1002/elps.201200122},\n\tabstract = {Normal phase chiral liquid chromatography has been proved to be powerful and efficient for chiral separation. However, the combination of normal phase liquid chromatography (NPLC) with electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) is restricted by the poor ionization efficiency and thermal fragmentations of analytes to some extent. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization technique that shows high ionization efficiency of the analytes in the normal phase mobile phase. In this work, we coupled chiral NPLC to DART-MS for the chiral qualitative and quantitative analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) and jasmonic acid (JA) enantiomers. Satisfactory results for the enantiomers of NNAL operating in the positive mode were obtained in terms of linearity (2.5–250 μg/mL, R2, 0.999–1.000) and repeatability (25 μg/mL, RSDs, 4.7–5.6\\%). Moreover, chiral NPLC-DART-MS resulted in the simultaneous chiral separation and detection of JA enantiomers, which are very difficult to be analyzed by NPLC-ESI-MS and NPLC-APCI-MS. Compared with the coupled techniques of NPLC-ESI-MS and NPLC-APCI-MS, NPLC-DART-MS showed advantages in increasing the ionization efficiency and reducing the in-source thermal fragmentation of analytes.},\n\tjournal = {ELECTROPHORESIS},\n\tauthor = {Chang, Cuilan and Zhou, Zhigui and Yang, Youyou and Han, Yehua and Bai, Yu and Zhao, Meiping and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol, Chiral separation, DART-MS, Jasmonic acid, NPLC},\n\tpages = {n/a},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Normal phase chiral liquid chromatography has been proved to be powerful and efficient for chiral separation. However, the combination of normal phase liquid chromatography (NPLC) with electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) is restricted by the poor ionization efficiency and thermal fragmentations of analytes to some extent. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization technique that shows high ionization efficiency of the analytes in the normal phase mobile phase. In this work, we coupled chiral NPLC to DART-MS for the chiral qualitative and quantitative analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) and jasmonic acid (JA) enantiomers. Satisfactory results for the enantiomers of NNAL operating in the positive mode were obtained in terms of linearity (2.5–250 μg/mL, R2, 0.999–1.000) and repeatability (25 μg/mL, RSDs, 4.7–5.6%). Moreover, chiral NPLC-DART-MS resulted in the simultaneous chiral separation and detection of JA enantiomers, which are very difficult to be analyzed by NPLC-ESI-MS and NPLC-APCI-MS. Compared with the coupled techniques of NPLC-ESI-MS and NPLC-APCI-MS, NPLC-DART-MS showed advantages in increasing the ionization efficiency and reducing the in-source thermal fragmentation of analytes.\n
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\n \n\n \n \n \n \n \n \n Ambient analysis by thermal desorption atmospheric pressure photoionization.\n \n \n \n \n\n\n \n Jorabchi, K.; Hanold, K.; and Syage, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–8. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{jorabchi_ambient_2012,\n\ttitle = {Ambient analysis by thermal desorption atmospheric pressure photoionization},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-6536-z},\n\tdoi = {10.1007/s00216-012-6536-z},\n\tabstract = {Ambient mass spectrometry has attracted substantial attention in recent years. Among ambient ionization methods, thermal desorption ionization stands out because of two attributes: (1) simplicity, rendering the technique suitable for in-field applications, and (2) ability to couple with a variety of gas-phase ionization methods thereby broadening the range of molecules that can be analyzed with this method. Here, we report on improving the performance of a direct analysis in real time (DART) source by implementing atmospheric pressure photoionization (APPI) downstream of the desorption region. At identical desorption and ion sampling conditions, APPI leads to detection of radical molecular ions from non-polar compounds that are absent from the spectra generated by DART alone. Moreover, a factor of 3–5 improvement in sensitivity is observed using APPI for positive ions commonly detected by DART and DART-APPI. Using helium and nitrogen as desorption gases, APPI shows identical performance regardless of desorption gas type. In contrast, a dramatic decrease in sensitivity is observed for DART operated with nitrogen compared to DART with helium. Comparable performance for DART and DART-APPI are observed in negative ion mode, although both show a drastic improvement in the absence of the Vapur interface. This interface creates a differentially pumped chamber prior to inlet of the mass spectrometer and reduces the mass spectrometer gas load when helium is used as desorption gas.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Jorabchi, Kaveh and Hanold, Karl and Syage, Jack},\n\tmonth = nov,\n\tyear = {2012},\n\tkeywords = {Ambient mass spectrometry, Direct analysis in real time, Photoionization},\n\tpages = {1--8},\n}\n\n\n\n
\n
\n\n\n
\n Ambient mass spectrometry has attracted substantial attention in recent years. Among ambient ionization methods, thermal desorption ionization stands out because of two attributes: (1) simplicity, rendering the technique suitable for in-field applications, and (2) ability to couple with a variety of gas-phase ionization methods thereby broadening the range of molecules that can be analyzed with this method. Here, we report on improving the performance of a direct analysis in real time (DART) source by implementing atmospheric pressure photoionization (APPI) downstream of the desorption region. At identical desorption and ion sampling conditions, APPI leads to detection of radical molecular ions from non-polar compounds that are absent from the spectra generated by DART alone. Moreover, a factor of 3–5 improvement in sensitivity is observed using APPI for positive ions commonly detected by DART and DART-APPI. Using helium and nitrogen as desorption gases, APPI shows identical performance regardless of desorption gas type. In contrast, a dramatic decrease in sensitivity is observed for DART operated with nitrogen compared to DART with helium. Comparable performance for DART and DART-APPI are observed in negative ion mode, although both show a drastic improvement in the absence of the Vapur interface. This interface creates a differentially pumped chamber prior to inlet of the mass spectrometer and reduces the mass spectrometer gas load when helium is used as desorption gas.\n
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\n \n\n \n \n \n \n \n Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization.\n \n \n \n\n\n \n He, X.; Xie, Z.; Gao, Y.; Hu, W.; Guo, L.; Jiang, L.; and Lu, Y.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 67: 64–73. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{he_mass_2012,\n\ttitle = {Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization},\n\tvolume = {67},\n\tabstract = {Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {He, X.N. and Xie, Z.Q. and Gao, Y. and Hu, W. and Guo, L.B. and Jiang, L. and Lu, Y.F.},\n\tyear = {2012},\n\tkeywords = {LI-TOFMS; DART; Laser-induced plasma; LIBS; AccuTOF},\n\tpages = {64--73},\n}\n\n\n\n
\n
\n\n\n
\n Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.\n
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\n \n\n \n \n \n \n \n \n Analysis of isoflavones in soybeans employing direct analysis in real-time ionization–high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Lojza, J.; Cajka, T.; Schulzova, V.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Separation Science, 35(3): 476–481. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{lojza_analysis_2012,\n\ttitle = {Analysis of isoflavones in soybeans employing direct analysis in real-time ionization–high-resolution mass spectrometry},\n\tvolume = {35},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.201100882},\n\tdoi = {10.1002/jssc.201100882},\n\tabstract = {A direct analysis in real-time (DART) ion source coupled to a high-resolution orbitrap mass spectrometer was used for the quantitative analysis of isoflavones isolated from soybeans. For the isolation of genistein, daidzein, glycitein, and their respective acetyl, malonyl, and glucoside forms, an extraction employing 80\\% aqueous MeOH enhanced by sonication was used. As far as the total isoflavones (expressed as aglycones) were to be determined, an acid hydrolysis with 80\\% aqueous EtOH and refluxing had to be employed, while in the latter case a good agreement of the results with the data generated by the UHPLC-orbitrap MS method was achieved, in the case of the analysis of non-hydrolyzed extracts, some overestimation of the results as compared with those generated by UHPLC-orbitrap MS was observed. A careful investigation of this phenomenon showed that the free aglycones originated from the conjugated forms of isoflavones in the DART ion source, thus contributing significantly to the “free” genistein/daidzein/glycitein signals during the DART analysis. Good recoveries (95–102\\%) and repeatabilities (RSD: 7–15\\%) were obtained at the spiking levels of 0.5, 1, and 0.05 g/kg, for daidzein, genistein, and glycitein, respectively. The limits of detection estimated for the respective analytes were 5 mg/kg.},\n\tnumber = {3},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Lojza, Jaromir and Cajka, Tomas and Schulzova, Vera and Riddellova, Katerina and Hajslova, Jana},\n\tyear = {2012},\n\tkeywords = {Ambient mass spectrometry, Ambient mass spectrometry; Direct analysis in real time; Isoflavones; Phytoestrogens; Soybean; orbitrap, Direct analysis in real time, Isoflavones, Phytoestrogens, Soybean},\n\tpages = {476--481},\n}\n\n\n\n
\n
\n\n\n
\n A direct analysis in real-time (DART) ion source coupled to a high-resolution orbitrap mass spectrometer was used for the quantitative analysis of isoflavones isolated from soybeans. For the isolation of genistein, daidzein, glycitein, and their respective acetyl, malonyl, and glucoside forms, an extraction employing 80% aqueous MeOH enhanced by sonication was used. As far as the total isoflavones (expressed as aglycones) were to be determined, an acid hydrolysis with 80% aqueous EtOH and refluxing had to be employed, while in the latter case a good agreement of the results with the data generated by the UHPLC-orbitrap MS method was achieved, in the case of the analysis of non-hydrolyzed extracts, some overestimation of the results as compared with those generated by UHPLC-orbitrap MS was observed. A careful investigation of this phenomenon showed that the free aglycones originated from the conjugated forms of isoflavones in the DART ion source, thus contributing significantly to the “free” genistein/daidzein/glycitein signals during the DART analysis. Good recoveries (95–102%) and repeatabilities (RSD: 7–15%) were obtained at the spiking levels of 0.5, 1, and 0.05 g/kg, for daidzein, genistein, and glycitein, respectively. The limits of detection estimated for the respective analytes were 5 mg/kg.\n
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\n \n\n \n \n \n \n \n \n Sensitivity “Hot Spots” in the Direct Analysis in Real Time Mass Spectrometry of Nerve Agent Simulants.\n \n \n \n \n\n\n \n Harris, G. A.; Falcone, C. E.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 23(1): 153–161. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"SensitivityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{harris_sensitivity_2012,\n\ttitle = {Sensitivity “{Hot} {Spots}” in the {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} of {Nerve} {Agent} {Simulants}},\n\tvolume = {23},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-011-0276-8},\n\tdoi = {10.1007/s13361-011-0276-8},\n\tabstract = {Presented here are findings describing the spatial-dependence of sensitivity and ion suppression effects observed with direct analysis in real time (DART). Continuous liquid infusion of dimethyl methyl phosphonate (DMMP) revealed that ion yield “hot spots” did not always correspond with the highest temperature regions within the ionization space. For instance, at lower concentrations (50 and 100 μM), the highest sensitivities were in the middle of the ionization region at 200 °C where there was a shorter ion transport distance, and the heat available to thermally desorb neutrals was moderate. Conversely, at higher DMMP concentrations (500 μM), the highest ion yield was directly in front of the DART source at 200 °C where it was exposed to the highest temperature for thermal desorption. In matching experiments, differential analyte volatility was observed to play a smaller role in relative ion suppression than differences in proton affinity and the relative sampling positions of analytes. At equimolar concentrations sampled at the same position, suppression was as high as 26× between isoquinoline (proton affinity 952 kJ mol–1, boiling point 242 °C) and p-anisidine (proton affinity 900 kJ mol–1, boiling point 243 °C). This effect was exacerbated when sampling positions of the two analytes differed, reaching levels of relative suppression as high as 4543.0× ± 1406.0. To mitigate this level of relative ion suppression, sampling positions and molar ratios of the analytes were modified to create conditions in which ion suppression was negligible.},\n\tnumber = {1},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Harris, Glenn A. and Falcone, Caitlin E. and Fernández, Facundo M.},\n\tyear = {2012},\n\tkeywords = {Biomedical and Life Sciences, Direct analysis in real time (DART); Ambient MS; Ionization fundamentals; Ion suppression; Nerve agent simulants; AccuTOF},\n\tpages = {153--161},\n}\n\n\n\n
\n
\n\n\n
\n Presented here are findings describing the spatial-dependence of sensitivity and ion suppression effects observed with direct analysis in real time (DART). Continuous liquid infusion of dimethyl methyl phosphonate (DMMP) revealed that ion yield “hot spots” did not always correspond with the highest temperature regions within the ionization space. For instance, at lower concentrations (50 and 100 μM), the highest sensitivities were in the middle of the ionization region at 200 °C where there was a shorter ion transport distance, and the heat available to thermally desorb neutrals was moderate. Conversely, at higher DMMP concentrations (500 μM), the highest ion yield was directly in front of the DART source at 200 °C where it was exposed to the highest temperature for thermal desorption. In matching experiments, differential analyte volatility was observed to play a smaller role in relative ion suppression than differences in proton affinity and the relative sampling positions of analytes. At equimolar concentrations sampled at the same position, suppression was as high as 26× between isoquinoline (proton affinity 952 kJ mol–1, boiling point 242 °C) and p-anisidine (proton affinity 900 kJ mol–1, boiling point 243 °C). This effect was exacerbated when sampling positions of the two analytes differed, reaching levels of relative suppression as high as 4543.0× ± 1406.0. To mitigate this level of relative ion suppression, sampling positions and molar ratios of the analytes were modified to create conditions in which ion suppression was negligible.\n
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\n \n\n \n \n \n \n \n \n Biomarkers of Whale Shark Health: A Metabolomic Approach.\n \n \n \n \n\n\n \n Dove, A. D. M.; Leisen, J.; Zhou, M.; Byrne, J. J.; Lim-Hing, K.; Webb, H. D.; Gelbaum, L.; Viant, M. R.; Kubanek, J.; and Fernández, F. M.\n\n\n \n\n\n\n PLoS ONE, 7(11): e49379. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"BiomarkersPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{dove_biomarkers_2012,\n\ttitle = {Biomarkers of {Whale} {Shark} {Health}: {A} {Metabolomic} {Approach}},\n\tvolume = {7},\n\turl = {http://dx.doi.org/10.1371%2Fjournal.pone.0049379},\n\tdoi = {10.1371/journal.pone.0049379},\n\tabstract = {In a search for biomarkers of health in whale sharks and as exploration of metabolomics as a modern tool for understanding animal physiology, the metabolite composition of serum in six whale sharks (Rhincodon typus) from an aquarium collection was explored using 1H nuclear magnetic resonance (NMR) spectroscopy and direct analysis in real time (DART) mass spectrometry (MS). Principal components analysis (PCA) of spectral data showed that individual animals could be resolved based on the metabolite composition of their serum and that two unhealthy individuals could be discriminated from the remaining healthy animals. The major difference between healthy and unhealthy individuals was the concentration of homarine, here reported for the first time in an elasmobranch, which was present at substantially lower concentrations in unhealthy whale sharks, suggesting that this metabolite may be a useful biomarker of health status in this species. The function(s) of homarine in sharks remain uncertain but it likely plays a significant role as an osmolyte. The presence of trimethylamine oxide (TMAO), another well-known protective osmolyte of elasmobranchs, at 0.1–0.3 mol L−1 was also confirmed using both NMR and MS. Twenty-three additional potential biomarkers were identified based on significant differences in the frequency of their occurrence between samples from healthy and unhealthy animals, as detected by DART MS. Overall, NMR and MS provided complementary data that showed that metabolomics is a useful approach for biomarker prospecting in poorly studied species like elasmobranchs.},\n\tnumber = {11},\n\tjournal = {PLoS ONE},\n\tauthor = {Dove, Alistair D. M. and Leisen, Johannes and Zhou, Manshui and Byrne, Jonathan J. and Lim-Hing, Krista and Webb, Harry D. and Gelbaum, Leslie and Viant, Mark R. and Kubanek, Julia and Fernández, Facundo M.},\n\tmonth = nov,\n\tyear = {2012},\n\tpages = {e49379},\n}\n\n\n\n
\n
\n\n\n
\n In a search for biomarkers of health in whale sharks and as exploration of metabolomics as a modern tool for understanding animal physiology, the metabolite composition of serum in six whale sharks (Rhincodon typus) from an aquarium collection was explored using 1H nuclear magnetic resonance (NMR) spectroscopy and direct analysis in real time (DART) mass spectrometry (MS). Principal components analysis (PCA) of spectral data showed that individual animals could be resolved based on the metabolite composition of their serum and that two unhealthy individuals could be discriminated from the remaining healthy animals. The major difference between healthy and unhealthy individuals was the concentration of homarine, here reported for the first time in an elasmobranch, which was present at substantially lower concentrations in unhealthy whale sharks, suggesting that this metabolite may be a useful biomarker of health status in this species. The function(s) of homarine in sharks remain uncertain but it likely plays a significant role as an osmolyte. The presence of trimethylamine oxide (TMAO), another well-known protective osmolyte of elasmobranchs, at 0.1–0.3 mol L−1 was also confirmed using both NMR and MS. Twenty-three additional potential biomarkers were identified based on significant differences in the frequency of their occurrence between samples from healthy and unhealthy animals, as detected by DART MS. Overall, NMR and MS provided complementary data that showed that metabolomics is a useful approach for biomarker prospecting in poorly studied species like elasmobranchs.\n
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\n \n\n \n \n \n \n \n \n Validation of a Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for the quantitation of six carbon sugars in a saccharification matrix.\n \n \n \n \n\n\n \n Saang'onyo, D.; Selby, G.; and Smith, D. L.\n\n\n \n\n\n\n Anal. Methods. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{saangonyo_validation_2012,\n\ttitle = {Validation of a {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) method for the quantitation of six carbon sugars in a saccharification matrix},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C2AY25337B},\n\tabstract = {A Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for quantitation of six carbon sugars in saccharification matrix (solution used for the enzyme hydrolysis of switchgrass) was developed and validated. The DART ion source was used to produce ammonium adducts of the spiked glucose molecular ion and the d2-glucose (internal standard) that were detected by scanning with a linear ion trap. Calibration curves were obtained over a linear range of 10 to 3000 [small mu ]M with correlation coefficients better than 0.997 and method recoveries were 94.9\\% to 103.0\\%. Matrix effects were observed and managed with matrix-matching standards for generating calibration curves. Limits of detection and quantitation were 5.84 [times] 10-6 M and 1.95 [times] 10-5 M, respectively. These results indicate this method could be implemented for quantitation of glucose generated from saccharification samples.},\n\tjournal = {Anal. Methods},\n\tauthor = {Saang'onyo, Daudi and Selby, Gary and Smith, Darrin L.},\n\tyear = {2012},\n}\n\n\n\n
\n
\n\n\n
\n A Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for quantitation of six carbon sugars in saccharification matrix (solution used for the enzyme hydrolysis of switchgrass) was developed and validated. The DART ion source was used to produce ammonium adducts of the spiked glucose molecular ion and the d2-glucose (internal standard) that were detected by scanning with a linear ion trap. Calibration curves were obtained over a linear range of 10 to 3000 [small mu ]M with correlation coefficients better than 0.997 and method recoveries were 94.9% to 103.0%. Matrix effects were observed and managed with matrix-matching standards for generating calibration curves. Limits of detection and quantitation were 5.84 [times] 10-6 M and 1.95 [times] 10-5 M, respectively. These results indicate this method could be implemented for quantitation of glucose generated from saccharification samples.\n
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\n \n\n \n \n \n \n \n \n Coupling of planar chromatography with Direct Analysis in Real Time mass spectrometry.\n \n \n \n \n\n\n \n Morlock, G.; and Chernetsova, E.\n\n\n \n\n\n\n Central European Journal of Chemistry, 10(3): 703–710. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"CouplingPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{morlock_coupling_2012,\n\ttitle = {Coupling of planar chromatography with {Direct} {Analysis} in {Real} {Time} mass spectrometry},\n\tvolume = {10},\n\tissn = {1895-1066},\n\turl = {http://dx.doi.org/10.2478/s11532-012-0025-2},\n\tabstract = {Direct Analysis in Real Time mass spectrometry (DART-MS) is an emerging and rapidly developing area of ambient desorption ionization mass spectrometric techniques. Its coupling with planar chromatography is especially promising, as compared to other ambient desorption ionization techniques, because it does not require the use of liquids that may distort the shape of a spot by diffusion effects. In the first publications on TLC/HPTLC-DART-MS, due to the fixed, horizontally aligned supply of the gas flow from the DART ionization source to the MS inlet, the introduction of HPTLC/TLC plates as cut strips was inconvenient for quantitation, and the repeatability was very low due to the manual positioning. Recently a new version of the DART ion source was suggested, which allows adjusting the angle of the DART gas stream and the use of a motorized rail, thereby, improving highly the capabilities of TLC/HPTLC-DART-MS. This comprehensive review describes the development and analytical capabilities of TLC/HPTLC-DART-MS, and the general DART-MS perspectives for surface analysis or imaging MS.},\n\tnumber = {3},\n\tjournal = {Central European Journal of Chemistry},\n\tauthor = {Morlock, Gertrud and Chernetsova, Elena},\n\tyear = {2012},\n\tpages = {703--710},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Direct Analysis in Real Time mass spectrometry (DART-MS) is an emerging and rapidly developing area of ambient desorption ionization mass spectrometric techniques. Its coupling with planar chromatography is especially promising, as compared to other ambient desorption ionization techniques, because it does not require the use of liquids that may distort the shape of a spot by diffusion effects. In the first publications on TLC/HPTLC-DART-MS, due to the fixed, horizontally aligned supply of the gas flow from the DART ionization source to the MS inlet, the introduction of HPTLC/TLC plates as cut strips was inconvenient for quantitation, and the repeatability was very low due to the manual positioning. Recently a new version of the DART ion source was suggested, which allows adjusting the angle of the DART gas stream and the use of a motorized rail, thereby, improving highly the capabilities of TLC/HPTLC-DART-MS. This comprehensive review describes the development and analytical capabilities of TLC/HPTLC-DART-MS, and the general DART-MS perspectives for surface analysis or imaging MS.\n
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\n \n\n \n \n \n \n \n \n Rapid classification of White Oak (Quercus alba) and Northern Red Oak (Quercus rubra) by using pyrolysis direct analysis in real time (DART™) and time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Cody, R. B.; Dane, A. J.; Dawson-Andoh, B.; Adedipe, E. O.; and Nkansah, K.\n\n\n \n\n\n\n Journal of Analytical and Applied Pyrolysis, 95(0): 134–137. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{cody_rapid_2012,\n\ttitle = {Rapid classification of {White} {Oak} ({Quercus} alba) and {Northern} {Red} {Oak} ({Quercus} rubra) by using pyrolysis direct analysis in real time ({DART}™) and time-of-flight mass spectrometry},\n\tvolume = {95},\n\tissn = {0165-2370},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0165237012000204},\n\tdoi = {10.1016/j.jaap.2012.01.018},\n\tabstract = {Thirty-four samples of Red Oak (Quercus rubra) and fifty samples of White Oak (Quercus alba) were analyzed by pyrolytic direct analysis in real time (DART) ionization coupled with time-of-flight (TOF) mass spectrometry. Although significant differences were not observed in the positive-ion mass spectra, the negative-ion mass spectra showed clear differences. Principal component analysis (PCA) and linear discriminant analysis (LDA) were calculated for the relative abundances of 11 peaks in the negative-ion mass spectra including peaks tentatively assigned as representing deprotonated acetic, malic, gallic, dimethoxycinnamic, and ellagic acids. Leave one out cross validation (LOOCV) was 100\\% successful in classifying the samples for both PCA and LDA.},\n\tnumber = {0},\n\tjournal = {Journal of Analytical and Applied Pyrolysis},\n\tauthor = {Cody, Robert B. and Dane, A. John and Dawson-Andoh, Benjamin and Adedipe, Emmanuel Oluwatosin and Nkansah, Kofi},\n\tyear = {2012},\n\tkeywords = {AccuTOF, Ambient ionization, Direct analysis in real time, Red oak, Time-of-flight, White oak},\n\tpages = {134--137},\n}\n\n\n\n
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\n Thirty-four samples of Red Oak (Quercus rubra) and fifty samples of White Oak (Quercus alba) were analyzed by pyrolytic direct analysis in real time (DART) ionization coupled with time-of-flight (TOF) mass spectrometry. Although significant differences were not observed in the positive-ion mass spectra, the negative-ion mass spectra showed clear differences. Principal component analysis (PCA) and linear discriminant analysis (LDA) were calculated for the relative abundances of 11 peaks in the negative-ion mass spectra including peaks tentatively assigned as representing deprotonated acetic, malic, gallic, dimethoxycinnamic, and ellagic acids. Leave one out cross validation (LOOCV) was 100% successful in classifying the samples for both PCA and LDA.\n
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\n \n\n \n \n \n \n \n Confined direct analysis in real time ion source and its applications in analysis of volatile organic compounds of Citrus limon (lemon) and Allium cepa (onion).\n \n \n \n\n\n \n Li, Y.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(10): 1194–1202. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{li_confined_2012,\n\ttitle = {Confined direct analysis in real time ion source and its applications in analysis of volatile organic compounds of {Citrus} limon (lemon) and {Allium} cepa (onion)},\n\tvolume = {26},\n\tdoi = {10.1002/rcm.6217},\n\tabstract = {The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique that enables efficient ionization of gases, liquids and solids with high throughput. A major limit to its wider application in the analysis of gases is its poor detection sensitivity caused by open-air sampling. In this study, a confined interface between the DART ion source outlet and mass spectrometer sampling orifice was developed, where the plasma generated by the atmospheric pressure glow discharge collides and ionizes gas-phase molecules in a Tee-shaped flow tube instead of in open air. It leads to significant increase of collision reaction probability between high energy metastable molecules and analytes. The experimental results show that the ionization efficiency was increased at least by two orders of magnitude. This technique was then applied in the real time analysis of volatile organic compounds (VOCs) of Citrus Limon (lemon) and wounded Allium Cepa (onion). The confined DART ion source was proved to be a powerful tool for the studies of plant metabolomics.},\n\tnumber = {10},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Li, Y.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1194--1202},\n}\n\n\n\n
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\n The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique that enables efficient ionization of gases, liquids and solids with high throughput. A major limit to its wider application in the analysis of gases is its poor detection sensitivity caused by open-air sampling. In this study, a confined interface between the DART ion source outlet and mass spectrometer sampling orifice was developed, where the plasma generated by the atmospheric pressure glow discharge collides and ionizes gas-phase molecules in a Tee-shaped flow tube instead of in open air. It leads to significant increase of collision reaction probability between high energy metastable molecules and analytes. The experimental results show that the ionization efficiency was increased at least by two orders of magnitude. This technique was then applied in the real time analysis of volatile organic compounds (VOCs) of Citrus Limon (lemon) and wounded Allium Cepa (onion). The confined DART ion source was proved to be a powerful tool for the studies of plant metabolomics.\n
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\n \n\n \n \n \n \n \n \n Online Coupling of Capillary Electrophoresis with Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Chang, C.; Xu, G.; Bai, Y.; Zhang, C.; Li, X.; Li, M.; Liu, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical Chemistry. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"OnlinePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{chang_online_2012,\n\ttitle = {Online {Coupling} of {Capillary} {Electrophoresis} with {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac303450v},\n\tdoi = {10.1021/ac303450v},\n\tabstract = {The online coupling of capillary electrophoresis with ambient direct analysis in real time mass spectrometry (DART-MS) was realized by a coaxial tip interface. The analytes eluted from CE were directly ionized by the metastable helium flux produced by DART and transferred into MS for the detection, with which the online separation and simultaneous detection were achieved. The CE-DART-MS can tolerate higher concentrations of detergents and salts than traditional CE-ESI-MS and avoided the difficulties of collecting CE effluent and cleaning the interface, which simplified the experimental procedures and shortened the analysis time. The performance of the technique was successfully verified by capillary zone electrophoresis (CZE) and micellar electrokinetic chromatography (MEKC) using a mixture of 4-aminoantipyrine, zolmitriptan and quinine. This online technique showed good repeatability with the RSDs (n=5) of 0.56{\\textasciitilde}1.23\\% for the retention times and 2.01{\\textasciitilde}7.41\\% for the peak areas. The quantitative analysis of 4-aminoantipyrine was accomplished in the range of 0.01{\\textasciitilde}0.50 mg/mL with the linear correlation coefficient of 0.9995 and limit of detection of 14.7 fmol. Compared with CE-ESI-MS, the ion suppression effects of non-volatile salts and detergents were efficiently minimized. The signal intensity remained constant when the concentrations reached 100 mM for sodium borate and 30 mM for SDS (in 30 mM sodium borate buffer). In addition, the proposed method was successfully applied to the detection of the endogenous caffeine in the Chinese white tea.},\n\turldate = {2012-12-04},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Chang, Cuilan and Xu, Gege and Bai, Yu and Zhang, Chengsen and Li, Xianjiang and Li, Min and Liu, Yi and Liu, Huwei},\n\tmonth = nov,\n\tyear = {2012},\n}\n\n\n\n
\n
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\n The online coupling of capillary electrophoresis with ambient direct analysis in real time mass spectrometry (DART-MS) was realized by a coaxial tip interface. The analytes eluted from CE were directly ionized by the metastable helium flux produced by DART and transferred into MS for the detection, with which the online separation and simultaneous detection were achieved. The CE-DART-MS can tolerate higher concentrations of detergents and salts than traditional CE-ESI-MS and avoided the difficulties of collecting CE effluent and cleaning the interface, which simplified the experimental procedures and shortened the analysis time. The performance of the technique was successfully verified by capillary zone electrophoresis (CZE) and micellar electrokinetic chromatography (MEKC) using a mixture of 4-aminoantipyrine, zolmitriptan and quinine. This online technique showed good repeatability with the RSDs (n=5) of 0.56~1.23% for the retention times and 2.01~7.41% for the peak areas. The quantitative analysis of 4-aminoantipyrine was accomplished in the range of 0.01~0.50 mg/mL with the linear correlation coefficient of 0.9995 and limit of detection of 14.7 fmol. Compared with CE-ESI-MS, the ion suppression effects of non-volatile salts and detergents were efficiently minimized. The signal intensity remained constant when the concentrations reached 100 mM for sodium borate and 30 mM for SDS (in 30 mM sodium borate buffer). In addition, the proposed method was successfully applied to the detection of the endogenous caffeine in the Chinese white tea.\n
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\n \n\n \n \n \n \n \n \n Estimation of camptothecin and pharmacological evaluation of Ophiorrhiza prostrata D. Don and Ophiorrhiza mungos L.\n \n \n \n \n\n\n \n Krishnakumar, G; Rameshkumar, K.; Srinivas, P.; Satheeshkumar, K; and Krishnan, P.\n\n\n \n\n\n\n Asian Pacific Journal of Tropical Biomedicine, 2(2, Supplement): S727–S731. February 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EstimationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{krishnakumar_estimation_2012,\n\ttitle = {Estimation of camptothecin and pharmacological evaluation of {Ophiorrhiza} prostrata {D}. {Don} and {Ophiorrhiza} mungos {L}.},\n\tvolume = {2},\n\tissn = {2221-1691},\n\turl = {http://www.sciencedirect.com/science/article/pii/S2221169112603049},\n\tdoi = {10.1016/S2221-1691(12)60304-9},\n\tabstract = {Objective \nTo carry out the qualitative and quantitative evaluation of camptothecin, estimation of total phenolic compounds and evaluation of in vitro antioxidant activity and cytotoxic activity of Ophiorrhiza prostrata and Ophiorrhiza mungos. \nMethods \nDirect Analysis in Real Time- Mass Spectrometry (DART-MS) was employed for the detection of camptothecin in the Ophiorrhiza species, while high performance thin layer chromatography (HPTLC) was used for the estimation of camptothecin. Total phenolic compounds were estimated by modified Folins-Ciocalteu's reagent method. Antioxidant activity was evaluated through DPPH radical, hydroxyl radical, superoxide radical scavenging assays and reducing power assay. The cytotoxicity evaluation was performed using MTT assay on MCF-7 cell lines. \nResults \nThe presence of camptothecin was confirmed in both the species by the [M++H] peak at 349 by DART-MS analysis. Camptothecin content was estimated as 1.47 μg/gm (dry wt) in O. prostrata and 188.60 μg/gm (dry wt) in O. mungos using HPTLC method. The moderate in vitro antioxidant activities of the methanol extracts corroborates with the low content of phenolic compounds in O. prostrata (9.88 GAE mg/g) and O. mungos (12.73 GAE mg/g). The methanol extract of O. prostrata exhibited remarkable cytotoxicity on human breast cancer cell lines (MCF-7), with IC50 value 1.10μg/mL compared to O. mungos (3.48μg/mL) and standard camptothecin (3.51μg/mL). \nConclusions \nThe application of DART-MS proved to be a simple and rapid technique for the detection of camptothecin in Ophiorrhiza species. The higher cytotoxicity for O. prostrata, despite the low content of camptothecin suggests the presence of other potential cytotoxic compounds in O. prostrata.},\n\tnumber = {2, Supplement},\n\tjournal = {Asian Pacific Journal of Tropical Biomedicine},\n\tauthor = {Krishnakumar, G and Rameshkumar, KB and Srinivas, Priya and Satheeshkumar, K and Krishnan, PN},\n\tmonth = feb,\n\tyear = {2012},\n\tkeywords = {Antioxidant activity, Camptothecin, Cytotoxicity, DART-MS analysis, HPTLC estimation, Ophiorrhiza mungos, Ophiorrhiza prostrata},\n\tpages = {S727--S731},\n}\n\n\n\n\n\n\n\n
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\n Objective To carry out the qualitative and quantitative evaluation of camptothecin, estimation of total phenolic compounds and evaluation of in vitro antioxidant activity and cytotoxic activity of Ophiorrhiza prostrata and Ophiorrhiza mungos. Methods Direct Analysis in Real Time- Mass Spectrometry (DART-MS) was employed for the detection of camptothecin in the Ophiorrhiza species, while high performance thin layer chromatography (HPTLC) was used for the estimation of camptothecin. Total phenolic compounds were estimated by modified Folins-Ciocalteu's reagent method. Antioxidant activity was evaluated through DPPH radical, hydroxyl radical, superoxide radical scavenging assays and reducing power assay. The cytotoxicity evaluation was performed using MTT assay on MCF-7 cell lines. Results The presence of camptothecin was confirmed in both the species by the [M++H] peak at 349 by DART-MS analysis. Camptothecin content was estimated as 1.47 μg/gm (dry wt) in O. prostrata and 188.60 μg/gm (dry wt) in O. mungos using HPTLC method. The moderate in vitro antioxidant activities of the methanol extracts corroborates with the low content of phenolic compounds in O. prostrata (9.88 GAE mg/g) and O. mungos (12.73 GAE mg/g). The methanol extract of O. prostrata exhibited remarkable cytotoxicity on human breast cancer cell lines (MCF-7), with IC50 value 1.10μg/mL compared to O. mungos (3.48μg/mL) and standard camptothecin (3.51μg/mL). Conclusions The application of DART-MS proved to be a simple and rapid technique for the detection of camptothecin in Ophiorrhiza species. The higher cytotoxicity for O. prostrata, despite the low content of camptothecin suggests the presence of other potential cytotoxic compounds in O. prostrata.\n
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\n \n\n \n \n \n \n \n \n Novel approaches to analysis of 3-chloropropane-1,2-diol esters in vegetable oils.\n \n \n \n \n\n\n \n Moravcova, E.; Vaclavik, L.; Lacina, O.; Hrbek, V.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 402(9): 2871–2883. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"NovelPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{moravcova_novel_2012,\n\ttitle = {Novel approaches to analysis of 3-chloropropane-1,2-diol esters in vegetable oils},\n\tvolume = {402},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5732-1},\n\tdoi = {10.1007/s00216-012-5732-1},\n\tabstract = {A sensitive and accurate method utilizing ultra-high performance liquid chromatography (U-HPLC) coupled to high resolution mass spectrometry based on orbitrap technology (orbitrapMS) for the analysis of nine 3-chloropropane-1,2-diol (3-MCPD) diesters in vegetable oils was developed. To remove the interfering triacylglycerols that induce strong matrix effects, a clean-up step on silica gel column was used. The quantitative analysis was performed with the use of deuterium-labeled internal standards. The lowest calibration levels estimated for the respective analytes ranged from 2 to 5 μg kg −1 . Good recovery values (89–120\\%) and repeatability (RSD 5–9\\%) was obtained at spiking levels of 2 and 10 mg kg −1 . As an alternative, a novel ambient desorption ionization technique, direct analysis in real time (DART), hyphenated with orbitrapMS, was employed for no separation, high-throughput, semi-quantitative screening of 3-MCPD diesters in samples obtained by chromatographic fractionation. Additionally, the levels of 3-MCPD diesters measured in real-life vegetable oil samples (palm oil, sunflower oil, rapeseed oil) using both methods are reported. Relatively good agreement of the data generated by U-HPLC-orbitrapMS and DART-orbitrapMS were observed. With regard to a low ionization yield achieved for 3-MCPD monoesters, the methods presented in this paper were not yet applicable for the analysis of these contaminants at the naturally occurring levels.},\n\tnumber = {9},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Moravcova, Eliska and Vaclavik, Lukas and Lacina, Ondrej and Hrbek, Vojtech and Riddellova, Katerina and Hajslova, Jana},\n\tyear = {2012},\n\tkeywords = {3-MCPD esters; Vegetable oils; U-HPLC-MS; DART-MS; orbitrap, Chemistry and Materials Science},\n\tpages = {2871--2883},\n}\n\n\n\n\n\n\n\n
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\n A sensitive and accurate method utilizing ultra-high performance liquid chromatography (U-HPLC) coupled to high resolution mass spectrometry based on orbitrap technology (orbitrapMS) for the analysis of nine 3-chloropropane-1,2-diol (3-MCPD) diesters in vegetable oils was developed. To remove the interfering triacylglycerols that induce strong matrix effects, a clean-up step on silica gel column was used. The quantitative analysis was performed with the use of deuterium-labeled internal standards. The lowest calibration levels estimated for the respective analytes ranged from 2 to 5 μg kg −1 . Good recovery values (89–120%) and repeatability (RSD 5–9%) was obtained at spiking levels of 2 and 10 mg kg −1 . As an alternative, a novel ambient desorption ionization technique, direct analysis in real time (DART), hyphenated with orbitrapMS, was employed for no separation, high-throughput, semi-quantitative screening of 3-MCPD diesters in samples obtained by chromatographic fractionation. Additionally, the levels of 3-MCPD diesters measured in real-life vegetable oil samples (palm oil, sunflower oil, rapeseed oil) using both methods are reported. Relatively good agreement of the data generated by U-HPLC-orbitrapMS and DART-orbitrapMS were observed. With regard to a low ionization yield achieved for 3-MCPD monoesters, the methods presented in this paper were not yet applicable for the analysis of these contaminants at the naturally occurring levels.\n
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\n \n\n \n \n \n \n \n \n Argon Direct Analysis in Real Time (Ar-DART) Mass Spectrometry in Conjunction with Make-Up Solvents: A Novel Method for Analysis of Labile Compounds.\n \n \n \n \n\n\n \n Yang, H.; Wan, D.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytical Chemistry. December 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ArgonPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{yang_argon_2012,\n\ttitle = {Argon {Direct} {Analysis} in {Real} {Time} ({Ar}-{DART}) {Mass} {Spectrometry} in {Conjunction} with {Make}-{Up} {Solvents}: {A} {Novel} {Method} for {Analysis} of {Labile} {Compounds}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3026543},\n\tdoi = {10.1021/ac3026543},\n\tabstract = {Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with make-up solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a make-up solvent (absolute ethyl alcohol, methanol, fluorobenzene or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.},\n\turldate = {2013-01-04},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Yang, Hongmei and Wan, Debin and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tmonth = dec,\n\tyear = {2012},\n}\n\n\n\n
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\n Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with make-up solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a make-up solvent (absolute ethyl alcohol, methanol, fluorobenzene or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.\n
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\n \n\n \n \n \n \n \n \n Direct mass spectrometric detection of trace explosives in soil samples.\n \n \n \n \n\n\n \n Ma, L.; Xin, B.; and Chen, Y.\n\n\n \n\n\n\n The Analyst, 137(7): 1730. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{ma_direct_2012,\n\ttitle = {Direct mass spectrometric detection of trace explosives in soil samples},\n\tvolume = {137},\n\tissn = {0003-2654, 1364-5528},\n\turl = {http://xlink.rsc.org/?DOI=c2an16058g},\n\tdoi = {10.1039/c2an16058g},\n\tlanguage = {en},\n\tnumber = {7},\n\turldate = {2016-02-02},\n\tjournal = {The Analyst},\n\tauthor = {Ma, Lipo and Xin, Bin and Chen, Yi},\n\tyear = {2012},\n\tpages = {1730},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Ambient mass spectrometry for extractionless analyses of plants: Holy Grail, useful tool or hoax?.\n \n \n \n\n\n \n van Beek, T.; Shen, Y; Verweij, T; Villela, A; and Claassen, F\n\n\n \n\n\n\n Planta Med, 78(11): CL44. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{van_beek_ambient_2012,\n\ttitle = {Ambient mass spectrometry for extractionless analyses of plants: {Holy} {Grail}, useful tool or hoax?},\n\tvolume = {78},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0032-1320279},\n\tabstract = {Ambient mass spectrometry allows sampling on your benchtop at atmospheric pressure and often without any sample preparation. A short overview of ambient MS is given including ionisation mechanisms and new exciting developments such as leaf spray. Direct Analysis in Real Time (DART) and Desorption Electrospray Ionisation (DESI) applications from the author's group in the field of natural products chemistry are presented. In particular DART-MS is a versatile, easy to handle and fast technique allowing even quantitative measurements of secondary plant metabolites such as alkaloids, terpenes (Ginkgo, star anise) and flavonoids. Fig. A shows the DART-MS of toxic Japanese star anise with a clear peak for the neurotoxin anisatin at m/z 327.107. Chinese star anise lacks this peak (Fig. B). This result was obtained in seconds without any sample preparation. In combination with high-resolution MS it can be used for quality control, adulteration detection, metabolomics and screening of herbal products. It can also be hyphenated to HPLC or TLC. A comparison of DART and DESI-MS in terms of scope, figures of merit and limitations is made.},\n\tnumber = {11},\n\tjournal = {Planta Med},\n\tauthor = {van Beek, TA and Shen, Y and Verweij, T and Villela, A and Claassen, F},\n\tyear = {2012},\n\tpages = {CL44},\n}\n\n\n\n
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\n Ambient mass spectrometry allows sampling on your benchtop at atmospheric pressure and often without any sample preparation. A short overview of ambient MS is given including ionisation mechanisms and new exciting developments such as leaf spray. Direct Analysis in Real Time (DART) and Desorption Electrospray Ionisation (DESI) applications from the author's group in the field of natural products chemistry are presented. In particular DART-MS is a versatile, easy to handle and fast technique allowing even quantitative measurements of secondary plant metabolites such as alkaloids, terpenes (Ginkgo, star anise) and flavonoids. Fig. A shows the DART-MS of toxic Japanese star anise with a clear peak for the neurotoxin anisatin at m/z 327.107. Chinese star anise lacks this peak (Fig. B). This result was obtained in seconds without any sample preparation. In combination with high-resolution MS it can be used for quality control, adulteration detection, metabolomics and screening of herbal products. It can also be hyphenated to HPLC or TLC. A comparison of DART and DESI-MS in terms of scope, figures of merit and limitations is made.\n
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\n \n\n \n \n \n \n \n \n ID-CUBE direct analysis in real time high-resolution mass spectrometry and its capabilities in the identification of phenolic components from the green leaves of Bergenia crassifolia L.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Crawford, E. A.; Shikov, A. N.; Pozharitskaya, O. N.; Makarov, V. G.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(11): 1329–1337. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ID-CUBEPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_id-cube_2012,\n\ttitle = {{ID}-{CUBE} direct analysis in real time high-resolution mass spectrometry and its capabilities in the identification of phenolic components from the green leaves of {Bergenia} crassifolia {L}.},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6226},\n\tdoi = {10.1002/rcm.6226},\n\tabstract = {RATIONALE\nBergenia crassifolia is a plant widely used in herbal medicine. Its chemical composition has been little studied, and no studies using high-resolution mass spectrometry (HRMS) have been performed. Its phenolic components are of particular interest, due to the interest in such compounds in medicine and cosmetics. The ID-CUBE, a simplified Direct Analysis in Real Time (DART) ion source, suitable for the fast MS analysis of liquids without complex sample preparation, offers a new method of studying extracts of such plant. Coupling the ID-CUBE with a high-resolution mass spectrometer can provide identification of extract components. \nMETHODS\nMass spectral conditions were optimized for model solutions of the flavonoid naringenin and used for the identification of phenolic compounds in green leaves extracts of Bergenia crassifolia. OpenSpot sample cards with a metal grid surface were used for sample introduction into the ID-CUBE ion source on an Obitrap mass spectrometer. The samples were applied as 5-μL aliquots of the extract onto the metal grid of the card. Sample ionization was stimulated in the ion source within 20 s by applying an electric current to the metal grid to thermally desorb the analytes into the gas flow of metastable helium atoms from the ID-CUBE. \nRESULTS\nElemental compositions were assigned to abundant ions in the mass spectra of the extracts. The major phenolic components were confirmed by their [M–H]– ions. Thirty-six other marker ions were found, and elemental compositions were suggested for 30\\% of them, based on a search for compounds found in herbal extracts. \nCONCLUSIONS\nThe ID-CUBE–Orbitrap MS coupling allowed the rapid accurate mass determination of the phenolic components (and other compounds) in herbal extracts. Higher confidence in component identification could be provided by using additional structural elucidation methods, including tandem mass spectrometry (MS/MS), and this will be the focus of future studies. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {11},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Crawford, Elizabeth A. and Shikov, Alexander N. and Pozharitskaya, Olga N. and Makarov, Valery G. and Morlock, Gertrud E.},\n\tyear = {2012},\n\tpages = {1329--1337},\n}\n\n\n\n
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\n\n\n
\n RATIONALE Bergenia crassifolia is a plant widely used in herbal medicine. Its chemical composition has been little studied, and no studies using high-resolution mass spectrometry (HRMS) have been performed. Its phenolic components are of particular interest, due to the interest in such compounds in medicine and cosmetics. The ID-CUBE, a simplified Direct Analysis in Real Time (DART) ion source, suitable for the fast MS analysis of liquids without complex sample preparation, offers a new method of studying extracts of such plant. Coupling the ID-CUBE with a high-resolution mass spectrometer can provide identification of extract components. METHODS Mass spectral conditions were optimized for model solutions of the flavonoid naringenin and used for the identification of phenolic compounds in green leaves extracts of Bergenia crassifolia. OpenSpot sample cards with a metal grid surface were used for sample introduction into the ID-CUBE ion source on an Obitrap mass spectrometer. The samples were applied as 5-μL aliquots of the extract onto the metal grid of the card. Sample ionization was stimulated in the ion source within 20 s by applying an electric current to the metal grid to thermally desorb the analytes into the gas flow of metastable helium atoms from the ID-CUBE. RESULTS Elemental compositions were assigned to abundant ions in the mass spectra of the extracts. The major phenolic components were confirmed by their [M–H]– ions. Thirty-six other marker ions were found, and elemental compositions were suggested for 30% of them, based on a search for compounds found in herbal extracts. CONCLUSIONS The ID-CUBE–Orbitrap MS coupling allowed the rapid accurate mass determination of the phenolic components (and other compounds) in herbal extracts. Higher confidence in component identification could be provided by using additional structural elucidation methods, including tandem mass spectrometry (MS/MS), and this will be the focus of future studies. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry with collision-induced dissociation for structural analysis of synthetic cannabinoids.\n \n \n \n \n\n\n \n Musah, R. A.; Domin, M. A.; Cody, R. B.; Lesiak, A. D.; John Dane, A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(19): 2335–2342. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{musah_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry with collision-induced dissociation for structural analysis of synthetic cannabinoids},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6354},\n\tdoi = {10.1002/rcm.6354},\n\tabstract = {RATIONALE\n\nThe emergence of numerous cannabinoid designer drugs has been tied to large spikes in emergency room visits and overdoses. Identifying these substances is difficult for the following reasons: (1) the compounds are novel, closely structurally related, and do not usually test positive in drug screens; (2) novel analogs rapidly appear on the market; (3) no standard protocols exist for their identification; and (4) customized and extensive sample preparation/extraction and analysis procedures are required to demonstrate their presence. \n\nMETHODS\n\nDirect analysis in real time mass spectrometry (DART-MS) employing collision-induced dissociation (CID) provided confirmatory structural information that was useful in characterizing the various cannabinoid analogs, including those contained in mixtures. CID analysis illustrated that, although closely related compounds fragment in a similar fashion, their structural differences still resulted in multiple diagnostic peaks that provided additional confidence towards structural identification. \n\nRESULTS\n\nDART-MS spectra were acquired under CID conditions to rapidly differentiate among five synthetic cannabinoids contained within 'herbal' products purchased locally in New York State (USA). The spectra exhibited [M+H]+ ions and product ions unique to each cannabinoid that corresponded to major structural features. Five different cannabinoid analogs, alone and as mixtures of at least two cannabinoids, were identified in six herbal products and differentiated by their CID product ion patterns. \n\nCONCLUSIONS\n\nIllicit synthetic cannabinoid products continue to be readily available despite national and international restrictions. These products contain a wide range of active components, and, in many cases, multiple active ingredients. DART-MS allows rapid analyses of these synthetic cannabinoids based on the exact masses of their [M+H]+ ions and product ion peaks generated using CID. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {19},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Domin, Marek A. and Cody, Robert B. and Lesiak, Ashton D. and John Dane, A. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tpages = {2335--2342},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE The emergence of numerous cannabinoid designer drugs has been tied to large spikes in emergency room visits and overdoses. Identifying these substances is difficult for the following reasons: (1) the compounds are novel, closely structurally related, and do not usually test positive in drug screens; (2) novel analogs rapidly appear on the market; (3) no standard protocols exist for their identification; and (4) customized and extensive sample preparation/extraction and analysis procedures are required to demonstrate their presence. METHODS Direct analysis in real time mass spectrometry (DART-MS) employing collision-induced dissociation (CID) provided confirmatory structural information that was useful in characterizing the various cannabinoid analogs, including those contained in mixtures. CID analysis illustrated that, although closely related compounds fragment in a similar fashion, their structural differences still resulted in multiple diagnostic peaks that provided additional confidence towards structural identification. RESULTS DART-MS spectra were acquired under CID conditions to rapidly differentiate among five synthetic cannabinoids contained within 'herbal' products purchased locally in New York State (USA). The spectra exhibited [M+H]+ ions and product ions unique to each cannabinoid that corresponded to major structural features. Five different cannabinoid analogs, alone and as mixtures of at least two cannabinoids, were identified in six herbal products and differentiated by their CID product ion patterns. CONCLUSIONS Illicit synthetic cannabinoid products continue to be readily available despite national and international restrictions. These products contain a wide range of active components, and, in many cases, multiple active ingredients. DART-MS allows rapid analyses of these synthetic cannabinoids based on the exact masses of their [M+H]+ ions and product ion peaks generated using CID. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n The Principles and Applications of An Ambient Ionization Method–Direct Analysis in Real Time (DART).\n \n \n \n\n\n \n Zhang, J.; Huo, F.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Progress in Chemistry, 24(1): 101–109. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhang_principles_2012,\n\ttitle = {The {Principles} and {Applications} of {An} {Ambient} {Ionization} {Method}--{Direct} {Analysis} in {Real} {Time} ({DART})},\n\tvolume = {24},\n\tabstract = {The development of ionization approach has been focused on the ambient ionization methods in the past decade. DART was first reported by Cody and coworkers in 2005 and has been widely applied in the analysis of various samples including solids, liquids or gases. Helium or nitrogen is chosen as the working gas of DART. The working gas is activated by discharge needle and subsequently heated in the heating cell for the further sample ionization. The DART technology needs minimal or no sample pretreatmentand direct analysis can be carried out by holding sample in the localization between the outlet of DART and the entrance of mass spectrometer. This review presents the development, the ionization mechanism, and the major operation parameters of DART. And the applications in direct analysis of pheromones from live drosophila, screening of counterfeit drugs, identification of ingredient of inksand other samples are summarized. In the end, the technological limitations and development trends of DART are also discussed.},\n\tnumber = {1},\n\tjournal = {Progress in Chemistry},\n\tauthor = {Zhang, Jialing and Huo, Feifeng and Zhou, Zhigui and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {review},\n\tpages = {101--109},\n}\n\n\n\n
\n
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\n The development of ionization approach has been focused on the ambient ionization methods in the past decade. DART was first reported by Cody and coworkers in 2005 and has been widely applied in the analysis of various samples including solids, liquids or gases. Helium or nitrogen is chosen as the working gas of DART. The working gas is activated by discharge needle and subsequently heated in the heating cell for the further sample ionization. The DART technology needs minimal or no sample pretreatmentand direct analysis can be carried out by holding sample in the localization between the outlet of DART and the entrance of mass spectrometer. This review presents the development, the ionization mechanism, and the major operation parameters of DART. And the applications in direct analysis of pheromones from live drosophila, screening of counterfeit drugs, identification of ingredient of inksand other samples are summarized. In the end, the technological limitations and development trends of DART are also discussed.\n
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\n \n\n \n \n \n \n \n \n Rapid quality assessment of Radix Aconiti Preparata using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Zhu, H.; Wang, C.; Qi, Y.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytica Chimica Acta, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zhu_rapid_2012,\n\ttitle = {Rapid quality assessment of {Radix} {Aconiti} {Preparata} using direct analysis in real time ({DART}) mass spectrometry},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267012013451?v=s5},\n\tdoi = {10.1016/j.aca.2012.09.018},\n\tabstract = {This study presents a novel and rapid method to identify chemical markers for the quality control of Radix Aconiti Preparata, a world widely used traditional herbal medicine. In the method, the samples with a fast extraction procedure were analyzed using direct analysis in real time mass spectrometry (DART MS) combined with multivariate data analysis. At present, the quality assessment approach of Radix Aconiti Preparata was based on the two processing methods recorded in Chinese Pharmacopoeia for the purpose of reducing the toxicity of Radix Aconiti and ensuring its clinical therapeutic efficacy. In order to ensure the safety and effectivity in clinical use, the processing degree of Radix Aconiti should be well controlled and assessed. In the paper, hierarchical cluster analysis and principal component analysis were performed to evaluate the DART MS data of Radix Aconiti Preparata samples in different processing times. The results showed that the well processed Radix Aconiti Preparata, unqualified processed and the raw Radix Aconiti could be clustered reasonably corresponding to their constituents. The loading plot shows that the main chemical markers having the most influence on the discrimination amongst the qualified and unqualified samples were mainly some monoester diterpenoid aconitines and diester diterpenoid aconitines, i.e. benzoylmesaconine, hypaconitine, mesaconitine, neoline, benzoylhypaconine, benzoylaconine, fuziline, aconitine and 10-OH-mesaconitine. The established DART MS approach in combination with multivariate data analysis provides a very flexible and reliable method for quality assessment of toxic herbal medicine.},\n\tnumber = {0},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zhu, Hongbin and Wang, Chunyan and Qi, Yao and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tyear = {2012},\n\tkeywords = {Direct analysis in real time, Hierarchical clustering analysis, Principal component analysis, Radix Aconiti, Radix Aconiti Preparata},\n}\n\n\n\n
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\n This study presents a novel and rapid method to identify chemical markers for the quality control of Radix Aconiti Preparata, a world widely used traditional herbal medicine. In the method, the samples with a fast extraction procedure were analyzed using direct analysis in real time mass spectrometry (DART MS) combined with multivariate data analysis. At present, the quality assessment approach of Radix Aconiti Preparata was based on the two processing methods recorded in Chinese Pharmacopoeia for the purpose of reducing the toxicity of Radix Aconiti and ensuring its clinical therapeutic efficacy. In order to ensure the safety and effectivity in clinical use, the processing degree of Radix Aconiti should be well controlled and assessed. In the paper, hierarchical cluster analysis and principal component analysis were performed to evaluate the DART MS data of Radix Aconiti Preparata samples in different processing times. The results showed that the well processed Radix Aconiti Preparata, unqualified processed and the raw Radix Aconiti could be clustered reasonably corresponding to their constituents. The loading plot shows that the main chemical markers having the most influence on the discrimination amongst the qualified and unqualified samples were mainly some monoester diterpenoid aconitines and diester diterpenoid aconitines, i.e. benzoylmesaconine, hypaconitine, mesaconitine, neoline, benzoylhypaconine, benzoylaconine, fuziline, aconitine and 10-OH-mesaconitine. The established DART MS approach in combination with multivariate data analysis provides a very flexible and reliable method for quality assessment of toxic herbal medicine.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of synthetic cannabinoids in herbal samples via direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Musah, R. A.; Domin, M. A.; Walling, M. A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1109–1114. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{musah_rapid_2012,\n\ttitle = {Rapid identification of synthetic cannabinoids in herbal samples via direct analysis in real time mass spectrometry},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6205},\n\tdoi = {10.1002/rcm.6205},\n\tabstract = {RATIONALE\nDozens of synthetic cannabinoid analogs purposefully meant to circumvent legal restrictions associated with controlled substances continue to be manufactured and promoted as producing 'legal highs'. These designer drugs are difficult to identify in conventional drug screens not only because routine protocols have not been developed for their detection, but also because their association with complex plant matrices during manufacture generally requires labor-intensive extraction and sample preparation for analysis. To address this new and important challenge in forensic chemistry, Direct Analysis in Real Time Mass Spectrometry (DART-MS) is applied to the analysis of these designer drugs. \nMETHODS\nDART-MS was employed to sample synthetic cannabinoids directly on botanical matrices. The ambient ionization method associated with DART-MS permitted the analysis of solid herbal samples directly, without the need for extraction or sample preparation. The high mass resolution time-of-flight analyzer allowed identification of these substances despite their presence within a complex matrix and enabled differentiation of closely related analogs. \nRESULTS\nDART-MS was performed to rapidly identify the synthetic cannabinoids AM-251 and JWH-015. For each cannabinoid, three hundred micrograms (300 µg) of material was easily detected within an excess of background matrix by mass. \nCONCLUSIONS\nNew variations of herbal blends containing a wide range of base components and laced with synthetic cannabinoids are being produced, making their presence difficult to track by conventional methods. DART-MS permits rapid identification of trace synthetic cannabinoids within complex biological matrices, with excellent sensitivity and specificity compared with standard methods. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Domin, Marek A. and Walling, Maureen A. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1109--1114},\n}\n\n\n\n
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\n RATIONALE Dozens of synthetic cannabinoid analogs purposefully meant to circumvent legal restrictions associated with controlled substances continue to be manufactured and promoted as producing 'legal highs'. These designer drugs are difficult to identify in conventional drug screens not only because routine protocols have not been developed for their detection, but also because their association with complex plant matrices during manufacture generally requires labor-intensive extraction and sample preparation for analysis. To address this new and important challenge in forensic chemistry, Direct Analysis in Real Time Mass Spectrometry (DART-MS) is applied to the analysis of these designer drugs. METHODS DART-MS was employed to sample synthetic cannabinoids directly on botanical matrices. The ambient ionization method associated with DART-MS permitted the analysis of solid herbal samples directly, without the need for extraction or sample preparation. The high mass resolution time-of-flight analyzer allowed identification of these substances despite their presence within a complex matrix and enabled differentiation of closely related analogs. RESULTS DART-MS was performed to rapidly identify the synthetic cannabinoids AM-251 and JWH-015. For each cannabinoid, three hundred micrograms (300 µg) of material was easily detected within an excess of background matrix by mass. CONCLUSIONS New variations of herbal blends containing a wide range of base components and laced with synthetic cannabinoids are being produced, making their presence difficult to track by conventional methods. DART-MS permits rapid identification of trace synthetic cannabinoids within complex biological matrices, with excellent sensitivity and specificity compared with standard methods. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Evaluating a direct swabbing method for screening pesticides on fruit and vegetable surfaces using direct analysis in real time (DART) coupled to an Exactive benchtop orbitrap mass spectrometer.\n \n \n \n \n\n\n \n Crawford, E.; and Musselman, B.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{crawford_evaluating_2012,\n\ttitle = {Evaluating a direct swabbing method for screening pesticides on fruit and vegetable surfaces using direct analysis in real time ({DART}) coupled to an {Exactive} benchtop orbitrap mass spectrometer},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5853-6},\n\tdoi = {10.1007/s00216-012-5853-6},\n\tabstract = {Rapid screening of pesticides present on the surfaces of fruits and vegetables has been facilitated by using a Direct Analysis in Real Time (DART®) open air surface desorption ionization source coupled to an Exactive® high-resolution accurate mass benchtop orbitrap mass spectrometer. The use of cotton and polyester cleaning swabs to collect and retain pesticides for subsequent open air desorption ionization is demonstrated by sampling the surface of various produce to which solutions of pesticides have been applied at levels 10 and 100 times below the tolerance levels established by the United States Environmental Protection Agency (US EPA). Samples analyzed include cherry tomatoes, oranges, peaches and carrots each chosen for their surface characteristics which include: smooth, pitted, fuzzy, and rough respectively. Results from the direct analysis of fungicides on store-bought oranges are also described. In all cases, the swabs were introduced directly into the heated ionizing gas of the DART source resulting in production of protonated pesticide molecules within seconds of sampling. Operation of the orbitrap mass spectrometer at 25,000 full-width half maximum resolution was sufficient to generate high-quality accurate mass data. Stable external mass calibration eliminated the need for addition of standards typically required for mass calibration, thus allowing multiple analyses to be completed without instrument recalibration.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Crawford, Elizabeth and Musselman, Brian},\n\tyear = {2012},\n\tkeywords = {Chemistry and Materials Science},\n\tpages = {1--6},\n}\n\n\n\n
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\n Rapid screening of pesticides present on the surfaces of fruits and vegetables has been facilitated by using a Direct Analysis in Real Time (DART®) open air surface desorption ionization source coupled to an Exactive® high-resolution accurate mass benchtop orbitrap mass spectrometer. The use of cotton and polyester cleaning swabs to collect and retain pesticides for subsequent open air desorption ionization is demonstrated by sampling the surface of various produce to which solutions of pesticides have been applied at levels 10 and 100 times below the tolerance levels established by the United States Environmental Protection Agency (US EPA). Samples analyzed include cherry tomatoes, oranges, peaches and carrots each chosen for their surface characteristics which include: smooth, pitted, fuzzy, and rough respectively. Results from the direct analysis of fungicides on store-bought oranges are also described. In all cases, the swabs were introduced directly into the heated ionizing gas of the DART source resulting in production of protonated pesticide molecules within seconds of sampling. Operation of the orbitrap mass spectrometer at 25,000 full-width half maximum resolution was sufficient to generate high-quality accurate mass data. Stable external mass calibration eliminated the need for addition of standards typically required for mass calibration, thus allowing multiple analyses to be completed without instrument recalibration.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART) Mass Spectrometry of Adulterants in Herbal Slimming Products using a Tandem Quadrupole MS and Data Directed Analysis.\n \n \n \n\n\n \n Jones, M.; Twohig, M; Yu, K; Balogh, M; Tice, J; and Musselman, B\n\n\n \n\n\n\n Planta Med, 78(05): P_127. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{jones_direct_2012,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry} of {Adulterants} in {Herbal} {Slimming} {Products} using a {Tandem} {Quadrupole} {MS} and {Data} {Directed} {Analysis}},\n\tvolume = {78},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0032-1307635},\n\tabstract = {Several troubling studies show the adulteration of herbal slimming products with sibutramine is a common occurrence. Recent reports suggesting an increased risk of serious cardiovascular events (such as heart attack or stroke) in patients with known cardiovascular disease taking sibutramine have prompted the European Medicines Agency (EMA) to recommend that the use of sibutramine be suspended. The aim of this study is to develop specific methods for the rapid screening of herbal medicines for illicit adulteration with pharmaceutical drugs.\n\nHerbal slimming aids were purchased over the internet from store websites and auction sites. Samples were analysed using a direct analysis in real time (DART) interface and a tandem quadrupole mass spectrometer. Samples purchased over the internet were found to contain undeclared pharmaceutical substances with the main component being sibutramine, an appetite suppressant used in the treatment of obesity. In addition to sibutramine, phenolphthalein and sildenafil were also identified none of which were declared on the box or enclosed information.\n\nDuring our study we were able to identify nine samples that had been contaminated by sibutramine. DART with data directed analysis of the sample using a data directed high low collision energy experiment provides simultaneous intact molecular ion and fragmentation information, while allowing samples to be analysed very rapidly and without the need for complex sample preparation or chromatography. The testing of unlicensed herbal medicines and herbal dietary supplements are vital functions due to the possibility of illegal adulteration and/or contamination and the potential that exists for adverse health effects to unsuspecting consumers.},\n\tnumber = {05},\n\tjournal = {Planta Med},\n\tauthor = {Jones, MD and Twohig, M and Yu, K and Balogh, M and Tice, J and Musselman, B},\n\tyear = {2012},\n\tpages = {P\\_127},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Several troubling studies show the adulteration of herbal slimming products with sibutramine is a common occurrence. Recent reports suggesting an increased risk of serious cardiovascular events (such as heart attack or stroke) in patients with known cardiovascular disease taking sibutramine have prompted the European Medicines Agency (EMA) to recommend that the use of sibutramine be suspended. The aim of this study is to develop specific methods for the rapid screening of herbal medicines for illicit adulteration with pharmaceutical drugs. Herbal slimming aids were purchased over the internet from store websites and auction sites. Samples were analysed using a direct analysis in real time (DART) interface and a tandem quadrupole mass spectrometer. Samples purchased over the internet were found to contain undeclared pharmaceutical substances with the main component being sibutramine, an appetite suppressant used in the treatment of obesity. In addition to sibutramine, phenolphthalein and sildenafil were also identified none of which were declared on the box or enclosed information. During our study we were able to identify nine samples that had been contaminated by sibutramine. DART with data directed analysis of the sample using a data directed high low collision energy experiment provides simultaneous intact molecular ion and fragmentation information, while allowing samples to be analysed very rapidly and without the need for complex sample preparation or chromatography. The testing of unlicensed herbal medicines and herbal dietary supplements are vital functions due to the possibility of illegal adulteration and/or contamination and the potential that exists for adverse health effects to unsuspecting consumers.\n
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\n \n\n \n \n \n \n \n \n Reusable Solid Phase Microextraction Coating for Direct Immersion Whole Blood Analysis and Extracted Blood Spot Sampling Coupled with LC-MS/MS and DART-MS/MS.\n \n \n \n \n\n\n \n Mirnaghi, F.; and Pawliszyn, J.\n\n\n \n\n\n\n Anal. Chem.. August 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ReusablePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{mirnaghi_reusable_2012,\n\ttitle = {Reusable {Solid} {Phase} {Microextraction} {Coating} for {Direct} {Immersion} {Whole} {Blood} {Analysis} and {Extracted} {Blood} {Spot} {Sampling} {Coupled} with {LC}-{MS}/{MS} and {DART}-{MS}/{MS}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3018229},\n\tdoi = {10.1021/ac3018229},\n\tabstract = {Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12\\% using external calibration and 4\\% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.\nThree different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12\\% using external calibration and 4\\% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.},\n\tjournal = {Anal. Chem.},\n\tauthor = {Mirnaghi, Fatemeh and Pawliszyn, Janusz},\n\tmonth = aug,\n\tyear = {2012},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12% using external calibration and 4% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam. Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12% using external calibration and 4% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.\n
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\n \n\n \n \n \n \n \n \n Direct Monitoring of the Role Played by a Stabilizer in a Solid Sample of Polymer Using Direct Analysis in Real Time Mass Spectrometry: The Case of Irgafos 168 in Polyethylene.\n \n \n \n \n\n\n \n Fouyer, K.; Lavastre, O.; and Rondeau, D.\n\n\n \n\n\n\n Analytical Chemistry. September 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fouyer_direct_2012,\n\ttitle = {Direct {Monitoring} of the {Role} {Played} by a {Stabilizer} in a {Solid} {Sample} of {Polymer} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}: {The} {Case} of {Irgafos} 168 in {Polyethylene}},\n\tissn = {0003-2700},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac301759q},\n\tdoi = {10.1021/ac301759q},\n\tabstract = {Direct analysis in real time (DART) ionization method is used with a time-of-flight (TOF) mass spectrometer to perform the analysis of industrial polyethylene pellets free of additives or containing Irgafos 168 as stabilizing agent without any sampling step. The developed analytical method uses the [M + H]+ ion of the bis(2-ethylhexyl) phthalate (DEHP) for performing the exact mass measurements of the stabilizer and polymer ions using the mass drift compensation procedure available on the AccuTOF mass spectrometer. DEHP is in fact a plastic contaminant always presents on the mass spectra of the analyzed samples. The mass spectra allow one to characterize either the ions of the polyethylene and that of the Irgafos. The analysis of thermally treated samples show that the polymer does not undergo any degradation when the Irgafos is present in the bulk of the material, and the role played by the Irgafos 168 is that of an oxygen trapping agent. Under UV exposure, the DART-TOF MS analyses performed on the exposed polyethylene pellets shows that the Irgafos 168 behavior toward the UV radiations is different since this one reacts by cleavages of its P?O bonds to prevent the degradation of the polymer. These interpretations are supported by all the elemental formula determination of the detected ions.},\n\turldate = {2012-10-10},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Fouyer, Kevin and Lavastre, Olivier and Rondeau, David},\n\tmonth = sep,\n\tyear = {2012},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) ionization method is used with a time-of-flight (TOF) mass spectrometer to perform the analysis of industrial polyethylene pellets free of additives or containing Irgafos 168 as stabilizing agent without any sampling step. The developed analytical method uses the [M + H]+ ion of the bis(2-ethylhexyl) phthalate (DEHP) for performing the exact mass measurements of the stabilizer and polymer ions using the mass drift compensation procedure available on the AccuTOF mass spectrometer. DEHP is in fact a plastic contaminant always presents on the mass spectra of the analyzed samples. The mass spectra allow one to characterize either the ions of the polyethylene and that of the Irgafos. The analysis of thermally treated samples show that the polymer does not undergo any degradation when the Irgafos is present in the bulk of the material, and the role played by the Irgafos 168 is that of an oxygen trapping agent. Under UV exposure, the DART-TOF MS analyses performed on the exposed polyethylene pellets shows that the Irgafos 168 behavior toward the UV radiations is different since this one reacts by cleavages of its P?O bonds to prevent the degradation of the polymer. These interpretations are supported by all the elemental formula determination of the detected ions.\n
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\n \n\n \n \n \n \n \n \n Ambient Ionization–Accurate Mass Spectrometry (AMI-AMS) for the Identification of Nonvisible Set-off in Food-Contact Materials.\n \n \n \n \n\n\n \n Bentayeb, K.; Ackerman, L. K.; and Begley, T. H.\n\n\n \n\n\n\n J. Agric. Food Chem., 60(8): 1914–1920. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bentayeb_ambient_2012,\n\ttitle = {Ambient {Ionization}–{Accurate} {Mass} {Spectrometry} ({AMI}-{AMS}) for the {Identification} of {Nonvisible} {Set}-off in {Food}-{Contact} {Materials}},\n\tvolume = {60},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf204456z},\n\tdoi = {10.1021/jf204456z},\n\tabstract = {Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.\nSet-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.},\n\tnumber = {8},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Bentayeb, Karim and Ackerman, Luke K. and Begley, Timothy H.},\n\tyear = {2012},\n\tpages = {1914--1920},\n}\n\n\n\n
\n
\n\n\n
\n Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging. Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.\n
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\n \n\n \n \n \n \n \n \n Rapid qualitative analysis of phthalates added to food and nutraceutical products by direct analysis in real time/orbitrap mass spectrometry.\n \n \n \n \n\n\n \n Self, R. L.; and Wu, W.\n\n\n \n\n\n\n Food Control, 25(1): 13–16. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{self_rapid_2012,\n\ttitle = {Rapid qualitative analysis of phthalates added to food and nutraceutical products by direct analysis in real time/orbitrap mass spectrometry},\n\tvolume = {25},\n\tissn = {0956-7135},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0956713511004178},\n\tdoi = {10.1016/j.foodcont.2011.10.013},\n\tabstract = {A recent food safety issue involves the contamination of a broad range of food and nutraceutical products from Taiwan with industrial plasticizers. Among the suspected contaminants are selected phthalic acid esters, such as benzyl butyl phthalate, dibutyl phthalate, diisobutyl phthalate, di-2-ethylhexyl phthalate, di-n-octyl phthalate, diisononyl phthalate, and diisodecyl phthalate. Described in this study is an analytical method to rapidly qualitatively analyze these compounds in a wide variety of food and nutraceutical matrices suspected in this crisis. The method utilizes direct analysis in real time (DART) ionization coupled to a Thermo Exactive orbitrap mass spectrometer. The method is shown to be capable of detecting these compounds at levels greater than 1.0 μg/mL in all food products examined and 0.5 μg/mL in most of the samples tested. In the nutraceutical samples tested, the compounds were detected at levels of 50 μg/g for all samples with some detected as low as 1.0 μg/g.},\n\tnumber = {1},\n\tjournal = {Food Control},\n\tauthor = {Self, Randy L. and Wu, Wen-Hsin},\n\tyear = {2012},\n\tkeywords = {Direct analysis in real time (DART), Food safety, Orbitrap, Phthalates, Phthalates; Direct analysis in real time (DART); Orbitrap; Food safety},\n\tpages = {13--16},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n A recent food safety issue involves the contamination of a broad range of food and nutraceutical products from Taiwan with industrial plasticizers. Among the suspected contaminants are selected phthalic acid esters, such as benzyl butyl phthalate, dibutyl phthalate, diisobutyl phthalate, di-2-ethylhexyl phthalate, di-n-octyl phthalate, diisononyl phthalate, and diisodecyl phthalate. Described in this study is an analytical method to rapidly qualitatively analyze these compounds in a wide variety of food and nutraceutical matrices suspected in this crisis. The method utilizes direct analysis in real time (DART) ionization coupled to a Thermo Exactive orbitrap mass spectrometer. The method is shown to be capable of detecting these compounds at levels greater than 1.0 μg/mL in all food products examined and 0.5 μg/mL in most of the samples tested. In the nutraceutical samples tested, the compounds were detected at levels of 50 μg/g for all samples with some detected as low as 1.0 μg/g.\n
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\n \n\n \n \n \n \n \n \n Metabolomic fingerprinting employing DART-TOFMS for authentication of tomatoes and peppers from organic and conventional farming.\n \n \n \n \n\n\n \n Novotná, H.; Kmiecik, O.; Gałązka, M.; Krtková, V.; Hurajová, A.; Schulzová, V.; Hallmann, E.; Rembiałkowska, E.; and Hajšlová, J.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 29(9): 1335–1346. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"MetabolomicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{novotna_metabolomic_2012,\n\ttitle = {Metabolomic fingerprinting employing {DART}-{TOFMS} for authentication of tomatoes and peppers from organic and conventional farming},\n\tvolume = {29},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2012.690348},\n\tdoi = {10.1080/19440049.2012.690348},\n\tabstract = {The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5\\% for tomato and 100\\% for pepper samples and the prediction abilities were above 80\\% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.\nThe rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5\\% for tomato and 100\\% for pepper samples and the prediction abilities were above 80\\% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.},\n\tnumber = {9},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Novotná, H. and Kmiecik, O. and Gałązka, M. and Krtková, V. and Hurajová, A. and Schulzová, V. and Hallmann, E. and Rembiałkowska, E. and Hajšlová, J.},\n\tyear = {2012},\n\tpages = {1335--1346},\n}\n\n\n\n
\n
\n\n\n
\n The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5% for tomato and 100% for pepper samples and the prediction abilities were above 80% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models. The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5% for tomato and 100% for pepper samples and the prediction abilities were above 80% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.\n
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\n \n\n \n \n \n \n \n \n Optimization of direct analysis in real time (DART) linear ion trap parameters for the detection and quantitation of glucose.\n \n \n \n \n\n\n \n Saang'onyo, D. S.; and Smith, D. L.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(3): 385–391. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{saangonyo_optimization_2012,\n\ttitle = {Optimization of direct analysis in real time ({DART}) linear ion trap parameters for the detection and quantitation of glucose},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5316},\n\tdoi = {10.1002/rcm.5316},\n\tabstract = {Presented here are findings for the development and optimization of a simple, high-throughput, and rapid method for the analysis of glucose. Because the applications of glucose and other six-carbon sugars is a growing field of interest especially in the production of biofuels, an efficient and rapid method for their quantitation from lignocelluloses is necessary. Glucose was analyzed using direct analysis in real time (DART) ionization and formed adducts (along with fragmentation) were observed with a linear ion trap (LIT) mass spectrometer. Since DART can be considered a complex thermal desorption ionization process, an optimization study of the helium gas temperature and introduction into the ionization region was performed. It was observed these parameters have a significant effect on the overall signal intensity as well as the signal-to-noise ratios in DART mass spectra. Using these optimized parameters, a set of different glucose concentrations (ranging from 10 to 3000 μM) were analyzed and used to determine a linear dynamic range (with the use of an internal standard). The analysis of the samples was done with minimal sample preparation and found to be reproducible on different days. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Saang'onyo, Daudi S. and Smith, Darrin L.},\n\tyear = {2012},\n\tkeywords = {Ion trap},\n\tpages = {385--391},\n}\n\n\n\n
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\n Presented here are findings for the development and optimization of a simple, high-throughput, and rapid method for the analysis of glucose. Because the applications of glucose and other six-carbon sugars is a growing field of interest especially in the production of biofuels, an efficient and rapid method for their quantitation from lignocelluloses is necessary. Glucose was analyzed using direct analysis in real time (DART) ionization and formed adducts (along with fragmentation) were observed with a linear ion trap (LIT) mass spectrometer. Since DART can be considered a complex thermal desorption ionization process, an optimization study of the helium gas temperature and introduction into the ionization region was performed. It was observed these parameters have a significant effect on the overall signal intensity as well as the signal-to-noise ratios in DART mass spectra. Using these optimized parameters, a set of different glucose concentrations (ranging from 10 to 3000 μM) were analyzed and used to determine a linear dynamic range (with the use of an internal standard). The analysis of the samples was done with minimal sample preparation and found to be reproducible on different days. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Rapid analysis of caffeine in various coffee samples employing direct analysis in real-time ionization–high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Danhelova, H.; Hradecky, J.; Prinosilova, S.; Cajka, T.; Riddellova, K.; Vaclavik, L.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–7. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{danhelova_rapid_2012,\n\ttitle = {Rapid analysis of caffeine in various coffee samples employing direct analysis in real-time ionization–high-resolution mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5820-2},\n\tabstract = {The development and use of a fast method employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) for the quantitative analysis of caffeine in various coffee samples has been demonstrated in this study. A simple sample extraction procedure employing hot water was followed by direct, high-throughput (\\&lt;1 min per run) examination of the extracts spread on a glass rod under optimized conditions of ambient mass spectrometry, without any prior chromatographic separation. For quantification of caffeine using DART-TOFMS, an external calibration was used. Isotopically labeled caffeine was used to compensate for the variations of the ion intensities of caffeine signal. Recoveries of the DART-TOFMS method were 97\\% for instant coffee at the spiking levels of 20 and 60 mg/g, respectively, while for roasted ground coffee, the obtained values were 106\\% and 107\\% at the spiking levels of 10 and 30 mg/g, respectively. The repeatability of the whole analytical procedure (expressed as relative standard deviation, RSD, \\%) was \\&lt;5\\% for all tested spiking levels and matrices. Since the linearity range of the method was relatively narrow (two orders of magnitude), an optimization of sample dilution prior the DART-TOFMS measurement to avoid saturation of the detector was needed.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Danhelova, Hana and Hradecky, Jaromir and Prinosilova, Sarka and Cajka, Tomas and Riddellova, Katerina and Vaclavik, Lukas and Hajslova, Jana},\n\tyear = {2012},\n\tpages = {1--7},\n}\n\n\n\n
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\n The development and use of a fast method employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) for the quantitative analysis of caffeine in various coffee samples has been demonstrated in this study. A simple sample extraction procedure employing hot water was followed by direct, high-throughput (<1 min per run) examination of the extracts spread on a glass rod under optimized conditions of ambient mass spectrometry, without any prior chromatographic separation. For quantification of caffeine using DART-TOFMS, an external calibration was used. Isotopically labeled caffeine was used to compensate for the variations of the ion intensities of caffeine signal. Recoveries of the DART-TOFMS method were 97% for instant coffee at the spiking levels of 20 and 60 mg/g, respectively, while for roasted ground coffee, the obtained values were 106% and 107% at the spiking levels of 10 and 30 mg/g, respectively. The repeatability of the whole analytical procedure (expressed as relative standard deviation, RSD, %) was <5% for all tested spiking levels and matrices. Since the linearity range of the method was relatively narrow (two orders of magnitude), an optimization of sample dilution prior the DART-TOFMS measurement to avoid saturation of the detector was needed.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry combined with single-drop liquid–liquid–liquid microextraction for the rapid analysis of multiple phytohormones in fruit juice.\n \n \n \n \n\n\n \n Bai, Y.; Zhang, J.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–8. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{bai_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry combined with single-drop liquid–liquid–liquid microextraction for the rapid analysis of multiple phytohormones in fruit juice},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5728-x},\n\tdoi = {10.1007/s00216-012-5728-x},\n\tabstract = {A rapid, simple, and efficient method for the fast determination of multiple phytohormones was developed in this work, based on single-drop liquid–liquid–liquid microextraction (SD-LLLME) combined with direct analysis in real-time mass spectrometry (DART-MS). Six phytohormones—indole-3-acetic acid (IAA), indole-3-butyric acid (IBA), jasmonic acid (JA), salicylic acid (SA), abscisic acid (ABA), and gibberellin A 3 (GA 3 )—were analyzed simultaneously using this method, and the conditions employed for DART-MS and SD-LLLME were optimized systematically. Satisfactory results were obtained in terms of linearity ( R 2 values for all phytohormones were 0.991–0.996), sensitivity (limits of detection were 0.65–72 ng/mL), and repeatability (RSD values were 6.9–14\\%). In addition, the proposed method was applied to determine the endogenous phytohormones in three kinds of fruit juice. Different concentrations of phytohormones were detected with satisfactory recoveries, and the whole analytical procedure took no more than 30 min. Therefore, this combination of SD-LLLME and DART-MS was shown to be a suitable and effective approach for the fast analysis of targets present at trace level concentrations in complex matrices.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Bai, Yu and Zhang, Jialing and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {Chemistry and Materials Science},\n\tpages = {1--8},\n}\n\n\n\n
\n
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\n A rapid, simple, and efficient method for the fast determination of multiple phytohormones was developed in this work, based on single-drop liquid–liquid–liquid microextraction (SD-LLLME) combined with direct analysis in real-time mass spectrometry (DART-MS). Six phytohormones—indole-3-acetic acid (IAA), indole-3-butyric acid (IBA), jasmonic acid (JA), salicylic acid (SA), abscisic acid (ABA), and gibberellin A 3 (GA 3 )—were analyzed simultaneously using this method, and the conditions employed for DART-MS and SD-LLLME were optimized systematically. Satisfactory results were obtained in terms of linearity ( R 2 values for all phytohormones were 0.991–0.996), sensitivity (limits of detection were 0.65–72 ng/mL), and repeatability (RSD values were 6.9–14%). In addition, the proposed method was applied to determine the endogenous phytohormones in three kinds of fruit juice. Different concentrations of phytohormones were detected with satisfactory recoveries, and the whole analytical procedure took no more than 30 min. Therefore, this combination of SD-LLLME and DART-MS was shown to be a suitable and effective approach for the fast analysis of targets present at trace level concentrations in complex matrices.\n
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\n \n\n \n \n \n \n \n \n The evaluation and implementation of direct analysis in real time quadrupole time-of-flight tandem mass spectrometry for characterization and quantification of geniposide in Re Du Ning Injections.\n \n \n \n \n\n\n \n Li, Y.; Wang, Z.; Bi, Y.; Ding, G.; Sheng, L.; Qin, J.; Xiao, W.; Li, J.; Wang, Y.; and Wang, X.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(11): 1377–1384. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_evaluation_2012,\n\ttitle = {The evaluation and implementation of direct analysis in real time quadrupole time-of-flight tandem mass spectrometry for characterization and quantification of geniposide in {Re} {Du} {Ning} {Injections}},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6235},\n\tdoi = {10.1002/rcm.6235},\n\tabstract = {RATIONALE\nThe Direct Analysis in Real Time (DART) ionization source coupled with a quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples from complex Chinese herbal preparations without sample cleanup or chromatographic separation. \nMETHODS\nIn this work, a method based on DART/Q-TOF MS/MS has been developed for rapid determination of geniposide present in 'Re Du Ning Injections', a Chinese herbal preparation. The method has been evaluated for both qualitative and quantitative analysis of geniposide in Re Du Ning Injections. \nRESULTS\nVariables including polarity for ion detection, DART gas heater temperature, matrix effect and sample presentation speed were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision and accuracy by using both internal and external standards. A comparison of the results obtained using the DART-based method was made with those obtained using a conventional High-Performance Liquid Chromatography/Diode-Array Detector (HPLC/DAD) by analyzing geniposide in four batches of Re Du Ning Injections. \nCONCLUSIONS\nThe DART/Q-TOF MS/MS-based method provides a rapid, efficient and powerful method to analyze compounds from complex Traditional Chinese Medicines with limited sample preparation thus reducing time and complexity of quality control for those materials. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {11},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Li, Yan-Jing and Wang, Zhen-Zhong and Bi, Yu-An and Ding, Gang and Sheng, Long-Sheng and Qin, Jian-Ping and Xiao, Wei and Li, Jia-Chun and Wang, Yong-Xiang and Wang, Xue},\n\tyear = {2012},\n\tpages = {1377--1384},\n}\n\n\n\n
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\n RATIONALE The Direct Analysis in Real Time (DART) ionization source coupled with a quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples from complex Chinese herbal preparations without sample cleanup or chromatographic separation. METHODS In this work, a method based on DART/Q-TOF MS/MS has been developed for rapid determination of geniposide present in 'Re Du Ning Injections', a Chinese herbal preparation. The method has been evaluated for both qualitative and quantitative analysis of geniposide in Re Du Ning Injections. RESULTS Variables including polarity for ion detection, DART gas heater temperature, matrix effect and sample presentation speed were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision and accuracy by using both internal and external standards. A comparison of the results obtained using the DART-based method was made with those obtained using a conventional High-Performance Liquid Chromatography/Diode-Array Detector (HPLC/DAD) by analyzing geniposide in four batches of Re Du Ning Injections. CONCLUSIONS The DART/Q-TOF MS/MS-based method provides a rapid, efficient and powerful method to analyze compounds from complex Traditional Chinese Medicines with limited sample preparation thus reducing time and complexity of quality control for those materials. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Study of the distribution profile of piperidine alkaloids in various parts of Prosopis juliflora by the application of Direct Analysis in Real Time Mass Spectrometry (DART-MS).\n \n \n \n \n\n\n \n Singh, S.; and Verma, S.\n\n\n \n\n\n\n Natural Products and Bioprospecting,1–4. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"StudyPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{singh_study_2012,\n\ttitle = {Study of the distribution profile of piperidine alkaloids in various parts of {Prosopis} juliflora by the application of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS})},\n\turl = {http://dx.doi.org/10.1007/s13659-012-0069-1},\n\tabstract = {Direct Analysis in Real Time Mass Spectrometry (DART-MS) was applied to identify and study the distribution profile of piperidine alkaloids in different parts of Prosopis juliflora, without isolation and separation of the compounds by standard chromatographic techniques. With the help of DART-MS, chemical fingerprint of raw plant parts were generated, which revealed the presence of piperidine alkaloids in leaf, pod and flower. A comparative study of the distribution pattern, showed variation in the presence and distribution of these alkaloids in various parts of P. juliflora. The leaves and pod displayed the largest alkaloid pattern with a total of 12 different alkaloids in each part, whereas only 4 alkaloids were present in flower. Alkaloids: julifloridine, prosopine, prosopinine and prosafrinine were ubiquitously distributed in all the alkaloid rich plant parts. Juliprosopine was pre-eminet alkaloid in leaf, whereas pod and flower displayed copious amounts of julifloridine.},\n\tjournal = {Natural Products and Bioprospecting},\n\tauthor = {Singh, Shachi and Verma, SanjayKumar},\n\tyear = {2012},\n\tkeywords = {julifloridine},\n\tpages = {1--4},\n}\n\n\n\n
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\n Direct Analysis in Real Time Mass Spectrometry (DART-MS) was applied to identify and study the distribution profile of piperidine alkaloids in different parts of Prosopis juliflora, without isolation and separation of the compounds by standard chromatographic techniques. With the help of DART-MS, chemical fingerprint of raw plant parts were generated, which revealed the presence of piperidine alkaloids in leaf, pod and flower. A comparative study of the distribution pattern, showed variation in the presence and distribution of these alkaloids in various parts of P. juliflora. The leaves and pod displayed the largest alkaloid pattern with a total of 12 different alkaloids in each part, whereas only 4 alkaloids were present in flower. Alkaloids: julifloridine, prosopine, prosopinine and prosafrinine were ubiquitously distributed in all the alkaloid rich plant parts. Juliprosopine was pre-eminet alkaloid in leaf, whereas pod and flower displayed copious amounts of julifloridine.\n
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\n \n\n \n \n \n \n \n \n Identification, extraction and quantification of the synthetic cannabinoid JWH-018 from commercially available herbal marijuana alternatives.\n \n \n \n \n\n\n \n Dunham, S. J.; Hooker, P. D.; and Hyde, R. M.\n\n\n \n\n\n\n Forensic science international, 223(1): 241–244. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"Identification,Paper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{dunham_identification_2012,\n\ttitle = {Identification, extraction and quantification of the synthetic cannabinoid {JWH}-018 from commercially available herbal marijuana alternatives},\n\tvolume = {223},\n\tissn = {0379-0738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073812004471?showall=true},\n\tabstract = {In this work, methods for the rapid identification, extraction, and quantification of the synthetic cannabinoid, JWH-018, from commercially available “Spice” (a herbal marijuana alternative) are presented. JWH-018 was identified in three different products using time-of-flight (TOF) mass spectrometry coupled with a direct analysis in real time (DART) ionization source, a process that was completed in less then five minutes and required no sample preparation. Extraction of the JWH-018 from the spice samples using an automated accelerated solvent extraction (ASE) instrument provided clean extracts with few plant pigments. Subsequent quantification by isocratic HPLC produced the following results (mg JWH-018/g plant material): Weekend Warrior brand “Hash”: 90 (±3\\%)mg/g, Weekend Warrior brand “Leaf”: 29 (±6\\%)mg/g, TrainWreck Hayze brand: 28 (±4\\%)mg/g. Vegetative samples spiked with JWH-018 gave a recovery of 97\\% (±1\\%).},\n\tnumber = {1},\n\tjournal = {Forensic science international},\n\tauthor = {Dunham, Sage J.B. and Hooker, Paul D. and Hyde, Robyn M.},\n\tmonth = nov,\n\tyear = {2012},\n\tkeywords = {Accelerated solvent extraction, DART–mass spectrometry, Herbal marijuana alternative, JWH-018, Spice, Synthetic marijuana},\n\tpages = {241--244},\n}\n\n\n\n\n\n\n\n
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\n In this work, methods for the rapid identification, extraction, and quantification of the synthetic cannabinoid, JWH-018, from commercially available “Spice” (a herbal marijuana alternative) are presented. JWH-018 was identified in three different products using time-of-flight (TOF) mass spectrometry coupled with a direct analysis in real time (DART) ionization source, a process that was completed in less then five minutes and required no sample preparation. Extraction of the JWH-018 from the spice samples using an automated accelerated solvent extraction (ASE) instrument provided clean extracts with few plant pigments. Subsequent quantification by isocratic HPLC produced the following results (mg JWH-018/g plant material): Weekend Warrior brand “Hash”: 90 (±3%)mg/g, Weekend Warrior brand “Leaf”: 29 (±6%)mg/g, TrainWreck Hayze brand: 28 (±4%)mg/g. Vegetative samples spiked with JWH-018 gave a recovery of 97% (±1%).\n
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\n \n\n \n \n \n \n \n \n Rapid detection of alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS/MS).\n \n \n \n \n\n\n \n Sun, L.; Hu, X.; Liu, L.; Jin, H.; and Lin, R.\n\n\n \n\n\n\n Zhongguo Zhong Yao Za Zhi, 37: 1426–30. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{sun_rapid_2012,\n\ttitle = {Rapid detection of alkaloids in {Ipecac} by direct analysis in real time tandem mass spectrometry ({DART}-{MS}/{MS})},\n\tvolume = {37},\n\turl = {http://www.ncbi.nlm.nih.gov/pubmed/22860455},\n\tabstract = {OBJECTIVE: To detect alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS) without pre-treatment and chromatographic separation. METHOD: Under the optimum conditions, DART-MS characteristic spectra were collected for tablet of Ipecac powder, Ipecac stems and leaves by full scanning,and secondary spectra were adopted for identifying alkaloids. The multiple reaction monitoring mode was adopted to determine the mass spectrum peak intensity of determinands on the surface of determined samples, in order to calculate their average content in samples. RESULT: Spectra of tablet of Ipecac powder and Ipecac stems showed remarkable ionized ion peaks of emetine and cephaeline at m/z 481 and 467, while spectra of leaves showed ionized ion peaks of other alkaloids at m/z 479 and 465. Furthermore, the quantitative analysis was also demonstrated with good reproducibility and linear relationship. CONCLUSION:  The mode can play a role in rapid determination of medicinal materials and prepared herbal medicines and real-time rapid quantitative analysis on intermediates and preparations.},\n\tlanguage = {Chinese},\n\tjournal = {Zhongguo Zhong Yao Za Zhi},\n\tauthor = {Sun, Lei and Hu, Xiaoru and Liu, Lina and Jin, Hongyu and Lin, Ruichao},\n\tyear = {2012},\n\tpages = {1426--30},\n}\n\n\n\n
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\n OBJECTIVE: To detect alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS) without pre-treatment and chromatographic separation. METHOD: Under the optimum conditions, DART-MS characteristic spectra were collected for tablet of Ipecac powder, Ipecac stems and leaves by full scanning,and secondary spectra were adopted for identifying alkaloids. The multiple reaction monitoring mode was adopted to determine the mass spectrum peak intensity of determinands on the surface of determined samples, in order to calculate their average content in samples. RESULT: Spectra of tablet of Ipecac powder and Ipecac stems showed remarkable ionized ion peaks of emetine and cephaeline at m/z 481 and 467, while spectra of leaves showed ionized ion peaks of other alkaloids at m/z 479 and 465. Furthermore, the quantitative analysis was also demonstrated with good reproducibility and linear relationship. CONCLUSION: The mode can play a role in rapid determination of medicinal materials and prepared herbal medicines and real-time rapid quantitative analysis on intermediates and preparations.\n
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\n \n\n \n \n \n \n \n \n Graphite-Coated Paper as Substrate for High Sensitivity Analysis in Ambient Surface-Assisted Laser Desorption/Ionization Mass Spectrometry.\n \n \n \n \n\n\n \n Zhang, J.; Li, Z.; Zhang, C.; Feng, B.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Anal. Chem., 84(7): 3296–3301. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"Graphite-CoatedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{zhang_graphite-coated_2012,\n\ttitle = {Graphite-{Coated} {Paper} as {Substrate} for {High} {Sensitivity} {Analysis} in {Ambient} {Surface}-{Assisted} {Laser} {Desorption}/{Ionization} {Mass} {Spectrometry}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac300002g},\n\tdoi = {10.1021/ac300002g},\n\tabstract = {In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.\nIn this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.},\n\tnumber = {7},\n\tjournal = {Anal. Chem.},\n\tauthor = {Zhang, Jialing and Li, Ze and Zhang, Chengsen and Feng, Baosheng and Zhou, Zhigui and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tpages = {3296--3301},\n}\n\n\n\n\n\n\n\n
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\n In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules. In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.\n
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\n \n\n \n \n \n \n \n \n Detection of nitro-organic and peroxide explosives in latent fingermarks by DART- and SALDI-TOF-mass spectrometry.\n \n \n \n \n\n\n \n Rowell, F.; Seviour, J.; Lim, A. Y.; Elumbaring-Salazar, C. G.; Loke, J.; and Ma, J.\n\n\n \n\n\n\n Forensic Science International, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{rowell_detection_2012,\n\ttitle = {Detection of nitro-organic and peroxide explosives in latent fingermarks by {DART}- and {SALDI}-{TOF}-mass spectrometry},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073812001703},\n\tdoi = {10.1016/j.forsciint.2012.04.007},\n\tabstract = {The ability of two mass spectrometric methods, surface-assisted laser desorption/ionization-time of flight-mass spectrometry (SALDI-TOF-MS) and direct analysis in real time (DART-MS), to detect the presence of seven common explosives (six nitro-organic- and one peroxide-type) in spiked latent fingermarks has been examined. It was found that each explosive could be detected with nanogram sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-TOF-MS for marks pre-dusted with one type of commercial black magnetic powder. These explosives also could be detected in latent marks lifted from six common surfaces (paper, plastic bag, metal drinks can, wood laminate, adhesive tape and white ceramic tile) whereas no explosive could be detected in equivalent pre-dusted marks on the surface of a commercial lifting tape by the DART-MS method due to high background interference from the tape material. The presence of TNT and Tetryl could be detected in pre-dusted latent fingermarks on a commercial lifting tape for up to 29 days sealed and stored under ambient conditions.},\n\tnumber = {0},\n\tjournal = {Forensic Science International},\n\tauthor = {Rowell, Frederick and Seviour, John and Lim, Angelina Yimei and Elumbaring-Salazar, Cheryl Grace and Loke, Jason and Ma, Jan},\n\tyear = {2012},\n\tkeywords = {Contact residues, DART-mass spectrometry, Dusting powder, Lifted latent fingermarks, Nitro-organic and peroxide explosives, SALDI-TOF-mass spectrometry, Stability},\n}\n\n\n\n
\n
\n\n\n
\n The ability of two mass spectrometric methods, surface-assisted laser desorption/ionization-time of flight-mass spectrometry (SALDI-TOF-MS) and direct analysis in real time (DART-MS), to detect the presence of seven common explosives (six nitro-organic- and one peroxide-type) in spiked latent fingermarks has been examined. It was found that each explosive could be detected with nanogram sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-TOF-MS for marks pre-dusted with one type of commercial black magnetic powder. These explosives also could be detected in latent marks lifted from six common surfaces (paper, plastic bag, metal drinks can, wood laminate, adhesive tape and white ceramic tile) whereas no explosive could be detected in equivalent pre-dusted marks on the surface of a commercial lifting tape by the DART-MS method due to high background interference from the tape material. The presence of TNT and Tetryl could be detected in pre-dusted latent fingermarks on a commercial lifting tape for up to 29 days sealed and stored under ambient conditions.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry: rapid analysis of soft medicinal formulations.\n \n \n \n \n\n\n \n Abramovich, R.; and Revel’skii, I.\n\n\n \n\n\n\n Pharmaceutical Chemistry Journal, 45(11): 698–700. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{abramovich_dart_2012,\n\ttitle = {{DART} mass spectrometry: rapid analysis of soft medicinal formulations},\n\tvolume = {45},\n\tissn = {0091-150X},\n\turl = {http://dx.doi.org/10.1007/s11094-012-0705-4},\n\tabstract = {The possibility of using the DART mass spectrometry method for rapid analysis of soft medicinal formulations is considered. Studies of “tetracycline”, “Sintomycin Liniment”, and “Levomecol” creams and suppositories based on hard fat were studied. The possibility of using this method for the rapid screening of medicinal formulations in search of counterfeits is discussed. This is the first report of the analysis of suppositories using DART mass spectrometry.},\n\tnumber = {11},\n\tjournal = {Pharmaceutical Chemistry Journal},\n\tauthor = {Abramovich, R. and Revel’skii, I.},\n\tyear = {2012},\n\tpages = {698--700},\n}\n\n\n\n
\n
\n\n\n
\n The possibility of using the DART mass spectrometry method for rapid analysis of soft medicinal formulations is considered. Studies of “tetracycline”, “Sintomycin Liniment”, and “Levomecol” creams and suppositories based on hard fat were studied. The possibility of using this method for the rapid screening of medicinal formulations in search of counterfeits is discussed. This is the first report of the analysis of suppositories using DART mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Evaluating agarwood products for 2-(2-phenylethyl)chromones using direct analysis in real time time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Lancaster, C.; and Espinoza, E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(23): 2649–2656. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lancaster_evaluating_2012,\n\ttitle = {Evaluating agarwood products for 2-(2-phenylethyl)chromones using direct analysis in real time time-of-flight mass spectrometry},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6388},\n\tdoi = {10.1002/rcm.6388},\n\tabstract = {RATIONALE \n \nAgarwood is the resinous material harvested from threatened Aquilaria species. We investigated how many protonated 2-(2-phenylethyl)chromone ions were sufficient to make an accurate identification of agarwood. Analysis of 125 reference samples was carried out by direct analysis in real time time-of-flight mass spectrometry (DART-TOFMS). The identification criteria developed were applied to commercial samples. \n \nMETHODS \n \nWe developed a technique that uses DART-TOFMS to detect 2-(2-phenylethyl)chromones. Additionally, we developed a set of criteria to infer the presence of Aquilaria in commercial samples of wood chips, sawdust, incense and liquids. Additionally, we examined other fragrant woods to determine if they contained a chemical profile that could be falsely identified as agarwood. \n \nRESULTS \n \nAnalysis of reference and commercial samples (n = 151) established that DART-TOFMS provides reproducible mass spectra that are useful for inferring the genus of suspected agarwood samples. We identified 17 ions which were useful for authenticating agarwood. Comparison of the number of chromone ions detected by direct analyses of dry wood chips versus eluent analysis of methanol-extracted wood showed that results were similar. Lastly, analysis of 25 scented woods of other species did not give false positive results. \n \nCONCLUSIONS \n \nReliable criteria for inferring agarwood include the presence of diagnostic ions, m/z 319.118 or 349.129, in addition to ten or more ions characteristic of 2-(2-phenylethyl)chromones. Wood anatomists challenged with difficult morphological identifications can use this tool to assist in their analyses. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {23},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Lancaster, Cady and Espinoza, Edgard},\n\tyear = {2012},\n\tpages = {2649--2656},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n RATIONALE Agarwood is the resinous material harvested from threatened Aquilaria species. We investigated how many protonated 2-(2-phenylethyl)chromone ions were sufficient to make an accurate identification of agarwood. Analysis of 125 reference samples was carried out by direct analysis in real time time-of-flight mass spectrometry (DART-TOFMS). The identification criteria developed were applied to commercial samples. METHODS We developed a technique that uses DART-TOFMS to detect 2-(2-phenylethyl)chromones. Additionally, we developed a set of criteria to infer the presence of Aquilaria in commercial samples of wood chips, sawdust, incense and liquids. Additionally, we examined other fragrant woods to determine if they contained a chemical profile that could be falsely identified as agarwood. RESULTS Analysis of reference and commercial samples (n = 151) established that DART-TOFMS provides reproducible mass spectra that are useful for inferring the genus of suspected agarwood samples. We identified 17 ions which were useful for authenticating agarwood. Comparison of the number of chromone ions detected by direct analyses of dry wood chips versus eluent analysis of methanol-extracted wood showed that results were similar. Lastly, analysis of 25 scented woods of other species did not give false positive results. CONCLUSIONS Reliable criteria for inferring agarwood include the presence of diagnostic ions, m/z 319.118 or 349.129, in addition to ten or more ions characteristic of 2-(2-phenylethyl)chromones. Wood anatomists challenged with difficult morphological identifications can use this tool to assist in their analyses. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Chemometric Classification of Morphologically Similar Umbelliferae Medicinal Herbs by DART-TOF-MS Fingerprint.\n \n \n \n \n\n\n \n Lee, S. M.; Kim, H.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,n/a. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ChemometricPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{lee_chemometric_2012,\n\ttitle = {Chemometric {Classification} of {Morphologically} {Similar} {Umbelliferae} {Medicinal} {Herbs} by {DART}-{TOF}-{MS} {Fingerprint}},\n\tissn = {1099-1565},\n\turl = {http://dx.doi.org/10.1002/pca.2348},\n\tdoi = {10.1002/pca.2348},\n\tabstract = {Introduction\nIt needs many years of special training to gain expertise on the organoleptic classification of botanical raw materials and, even for those experts, discrimination among Umbelliferae medicinal herbs remains an intricate challenge due to their morphological similarity. \nObjective\nTo develop a new chemometric classification method using a direct analysis in real time–time of flight–mass spectrometry (DART-TOF-MS) fingerprinting for Umbelliferae medicinal herbs and to provide a platform for its application to the discrimination of other herbal medicines. \nMethodology\nAngelica tenuissima, Angelica gigas, Angelica dahurica and Cnidium officinale were chosen for this study and ten samples of each species were purchased from various Korean markets. DART-TOF-MS was employed on powdered raw materials to obtain a chemical fingerprint of each sample and the orthogonal partial-least squares method in discriminant analysis (OPLS-DA) was used for multivariate analysis. \nResults\nAll samples of collected species were successfully discriminated from each other according to their characteristic DART-TOF-MS fingerprint. Decursin (or decursinol angelate) and byakangelicol were identified as marker molecules for Angelica gigas and A. dahurica, respectively. Using the OPLS method for discriminant analysis, Angelica tenuissima and Cnidium officinale were clearly separated into two groups. Angelica tenuissima was characterised by the presence of ligustilide and unidentified molecular ions of m/z 239 and 283, while senkyunolide A together with signals with m/z 387 and 389 were the marker compounds for Cnidium officinale. \nConclusion\nElaborating with chemoinformatics, DART-TOF-MS fingerprinting with chemoinformatic tools results in a powerful method for the classification of morphologically similar Umbelliferae medicinal herbs and quality control of medicinal herbal products, including the extracts of these crude drugs. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Lee, Sang Min and Kim, Hye-Jin and Jang, Young Pyo},\n\tyear = {2012},\n\tkeywords = {DART-TOF-MS, DART-TOF-MS; multivariate analysis; OPLS-DA; metabolomics; Umbelliferae; AccuTOF, OPLS-DA, Umbelliferae, metabolomics, multivariate analysis},\n\tpages = {n/a},\n}\n\n\n\n
\n
\n\n\n
\n Introduction It needs many years of special training to gain expertise on the organoleptic classification of botanical raw materials and, even for those experts, discrimination among Umbelliferae medicinal herbs remains an intricate challenge due to their morphological similarity. Objective To develop a new chemometric classification method using a direct analysis in real time–time of flight–mass spectrometry (DART-TOF-MS) fingerprinting for Umbelliferae medicinal herbs and to provide a platform for its application to the discrimination of other herbal medicines. Methodology Angelica tenuissima, Angelica gigas, Angelica dahurica and Cnidium officinale were chosen for this study and ten samples of each species were purchased from various Korean markets. DART-TOF-MS was employed on powdered raw materials to obtain a chemical fingerprint of each sample and the orthogonal partial-least squares method in discriminant analysis (OPLS-DA) was used for multivariate analysis. Results All samples of collected species were successfully discriminated from each other according to their characteristic DART-TOF-MS fingerprint. Decursin (or decursinol angelate) and byakangelicol were identified as marker molecules for Angelica gigas and A. dahurica, respectively. Using the OPLS method for discriminant analysis, Angelica tenuissima and Cnidium officinale were clearly separated into two groups. Angelica tenuissima was characterised by the presence of ligustilide and unidentified molecular ions of m/z 239 and 283, while senkyunolide A together with signals with m/z 387 and 389 were the marker compounds for Cnidium officinale. Conclusion Elaborating with chemoinformatics, DART-TOF-MS fingerprinting with chemoinformatic tools results in a powerful method for the classification of morphologically similar Umbelliferae medicinal herbs and quality control of medicinal herbal products, including the extracts of these crude drugs. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Where is the next high? - Rapid identification of synthetic cannabinoids in \"Spice\" products.\n \n \n \n\n\n \n Huang, L.; Veltri, M.; Cody, R. B.; Dane, A. J.; Rivera, A.; Marino, M. A.; and Kim, W. J.\n\n\n \n\n\n\n Forensic Science International, submitted. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{huang_where_2012,\n\ttitle = {Where is the next high? - {Rapid} identification of synthetic cannabinoids in "{Spice}" products},\n\tvolume = {submitted},\n\tjournal = {Forensic Science International},\n\tauthor = {Huang, Ling and Veltri, Mercurio and Cody, Robert B. and Dane, A. John and Rivera, Amanda and Marino, Michael A. and Kim, Woen J.},\n\tyear = {2012},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Application of Direct Analysis in Real Time Mass Spectrometry (DART-MS) for Identification of an Epiphytic Cyanobacterium, Nostoc Sp.\n \n \n \n \n\n\n \n Singh, S.; and Verma, S. K.\n\n\n \n\n\n\n Analytical Letters, 45(17): 2562–2568. May 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{singh_application_2012,\n\ttitle = {Application of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) for {Identification} of an {Epiphytic} {Cyanobacterium}, {Nostoc} {Sp}.},\n\tvolume = {45},\n\tissn = {0003-2719},\n\turl = {http://dx.doi.org/10.1080/00032719.2012.694940},\n\tdoi = {10.1080/00032719.2012.694940},\n\tabstract = {Cyanobacteria, a diverse group of bacteria are identified entirely on the basis of morphological characters, which can frequently lead to incorrect results; therefore, the present study reports a new approach for identification of an organism based on DART technique. Direct Analysis in Real Time Mass Spectrometry (DART-MS) was used to identify a cyanobacterium, isolated from the leaf surface, on the basis of characteristic chemical compounds present in the strain. A chemical fingerprint was generated and peaks obtained were found to be similar to the masses of the compounds reported for Nostoc sp.},\n\tnumber = {17},\n\turldate = {2012-11-28},\n\tjournal = {Analytical Letters},\n\tauthor = {Singh, Shachi and Verma, S. K.},\n\tmonth = may,\n\tyear = {2012},\n\tpages = {2562--2568},\n}\n\n\n\n
\n
\n\n\n
\n Cyanobacteria, a diverse group of bacteria are identified entirely on the basis of morphological characters, which can frequently lead to incorrect results; therefore, the present study reports a new approach for identification of an organism based on DART technique. Direct Analysis in Real Time Mass Spectrometry (DART-MS) was used to identify a cyanobacterium, isolated from the leaf surface, on the basis of characteristic chemical compounds present in the strain. A chemical fingerprint was generated and peaks obtained were found to be similar to the masses of the compounds reported for Nostoc sp.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry for analysis of sexual assault evidence.\n \n \n \n \n\n\n \n Musah, R. A.; Cody, R. B.; Dane, A. J.; Vuong, A. L.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1039–1046. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{musah_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry for analysis of sexual assault evidence},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6198},\n\tdoi = {10.1002/rcm.6198},\n\tabstract = {RATIONALE\nSexual assault crimes are vastly underreported and suffer from alarmingly low prosecution and conviction rates. The key scientific method to aid in prosecution of such cases is forensic DNA analysis, where biological evidence such as semen collected using a rape test kit is used to determine a suspect's DNA profile. However, the growing awareness by criminals of the importance of DNA in the prosecution of sexual assaults has resulted in increased condom use by assailants as a means to avoid leaving behind their DNA. Thus, other types of trace evidence are important to help corroborate victims' accounts, exonerate the innocent, link suspects to the crime, or confirm penetration. \nMETHODS\nDirect Analysis in Real Time Mass Spectrometry (DART-MS) was employed for the comprehensive characterization of non-DNA trace evidence associated with sexual assault. The ambient ionization method associated with DART-MS is extremely rapid and samples are processed instantaneously, without the need for extraction, sample preparation, or other means that might compromise forensic evidence for future analyses. \nRESULTS\nIn a single assay, we demonstrated the ability to identify lubricant formulations associated with sexual assault, such as the spermicide nonoxynol-9, compounds used in condom manufacture, and numerous other trace components as probative evidence. In addition, the method can also serve to identify compounds within trace biological residues, such as fatty acids commonly identified in latent fingerprints. \nCONCLUSIONS\nCharacterization of lubricant residues as probative evidence serves to establish a connection between the victim and the perpetrator, and the availability of these details may lead to higher rates of prosecution and conviction, as well as more severe penalties. The methodology described here opens the way for the adoption of a comprehensive, rapid, and sensitive analysis for use in crime labs, while providing knowledge that can inform and guide criminal justice policy and practice. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Cody, Robert B. and Dane, A. John and Vuong, Angela L. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1039--1046},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Sexual assault crimes are vastly underreported and suffer from alarmingly low prosecution and conviction rates. The key scientific method to aid in prosecution of such cases is forensic DNA analysis, where biological evidence such as semen collected using a rape test kit is used to determine a suspect's DNA profile. However, the growing awareness by criminals of the importance of DNA in the prosecution of sexual assaults has resulted in increased condom use by assailants as a means to avoid leaving behind their DNA. Thus, other types of trace evidence are important to help corroborate victims' accounts, exonerate the innocent, link suspects to the crime, or confirm penetration. METHODS Direct Analysis in Real Time Mass Spectrometry (DART-MS) was employed for the comprehensive characterization of non-DNA trace evidence associated with sexual assault. The ambient ionization method associated with DART-MS is extremely rapid and samples are processed instantaneously, without the need for extraction, sample preparation, or other means that might compromise forensic evidence for future analyses. RESULTS In a single assay, we demonstrated the ability to identify lubricant formulations associated with sexual assault, such as the spermicide nonoxynol-9, compounds used in condom manufacture, and numerous other trace components as probative evidence. In addition, the method can also serve to identify compounds within trace biological residues, such as fatty acids commonly identified in latent fingerprints. CONCLUSIONS Characterization of lubricant residues as probative evidence serves to establish a connection between the victim and the perpetrator, and the availability of these details may lead to higher rates of prosecution and conviction, as well as more severe penalties. The methodology described here opens the way for the adoption of a comprehensive, rapid, and sensitive analysis for use in crime labs, while providing knowledge that can inform and guide criminal justice policy and practice. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization.\n \n \n \n \n\n\n \n He, X.; Xie, Z.; Gao, Y.; Hu, W.; Guo, L.; Jiang, L.; and Lu, Y.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 67: 64–73. January 2012.\n \n\n\n\n
\n\n\n\n \n \n \"MassPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{he_mass_2012,\n\ttitle = {Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization},\n\tvolume = {67},\n\tissn = {05848547},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0584854712000055},\n\tdoi = {10.1016/j.sab.2012.01.003},\n\tabstract = {Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {He, X.N. and Xie, Z.Q. and Gao, Y. and Hu, W. and Guo, L.B. and Jiang, L. and Lu, Y.F.},\n\tmonth = jan,\n\tyear = {2012},\n\tkeywords = {LI-TOFMS; DART; Laser-induced plasma; LIBS; AccuTOF},\n\tpages = {64--73},\n}\n\n\n\n
\n
\n\n\n
\n Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry for the rapid identification of four highly hazardous pesticides in agrochemicals.\n \n \n \n \n\n\n \n Wang, L.; Zhao, P.; Zhang, F.; Li, Y.; and Pan, C.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(16): 1859–1867. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry for the rapid identification of four highly hazardous pesticides in agrochemicals},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6274},\n\tdoi = {10.1002/rcm.6274},\n\tabstract = {RATIONALE\nDirect analysis in real time (DART) is a new ion source technique, which is conducted in the open air under ambient conditions, applied to the rapid and direct analysis of any material (gases, liquids, and solids) with minimal or no sample preparation. In order to take advantage of the capacity of DART mass spectrometry for the real-time analysis of hazardous ingredients in commercial agrochemicals, a pilot study of rapid qualitative determination of hazardous pesticides was performed. \nMETHODS\nHighly hazardous pesticides were identified by DART ionization coupled to a single-quadrupole mass spectrometer (DART-MS). Acetonitrile was chosen for dissolving samples prior to the analysis. Samples were analyzed by this technique in as little as 5 s. \nRESULTS\nPhorate, carbofuran, ethoprophos and fipronil were be detected directly from commercial agrochemicals. The ionization-related parameters (DART temperature, grid voltage and MS fragment) of these compounds were optimized to obtain highly response. Isotope patterns were taken into consideration for qualitative identification. Relative standard deviations (RSDs, n = 5) of 2.3–15.0\\% were obtained by measuring the relative abundance of selected isotopes. \nCONCLUSIONS\nThis study showed that DART-MS technology was able to qualitatively determine the existence of highly hazardous pesticides in commercial pesticide formulations. It is suggested that this technology should be applied for routine monitoring in the market. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {16},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Wang, Lei and Zhao, Pengyue and Zhang, Fengzu and Li, Yanjie and Pan, Canping},\n\tyear = {2012},\n\tpages = {1859--1867},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Direct analysis in real time (DART) is a new ion source technique, which is conducted in the open air under ambient conditions, applied to the rapid and direct analysis of any material (gases, liquids, and solids) with minimal or no sample preparation. In order to take advantage of the capacity of DART mass spectrometry for the real-time analysis of hazardous ingredients in commercial agrochemicals, a pilot study of rapid qualitative determination of hazardous pesticides was performed. METHODS Highly hazardous pesticides were identified by DART ionization coupled to a single-quadrupole mass spectrometer (DART-MS). Acetonitrile was chosen for dissolving samples prior to the analysis. Samples were analyzed by this technique in as little as 5 s. RESULTS Phorate, carbofuran, ethoprophos and fipronil were be detected directly from commercial agrochemicals. The ionization-related parameters (DART temperature, grid voltage and MS fragment) of these compounds were optimized to obtain highly response. Isotope patterns were taken into consideration for qualitative identification. Relative standard deviations (RSDs, n = 5) of 2.3–15.0% were obtained by measuring the relative abundance of selected isotopes. CONCLUSIONS This study showed that DART-MS technology was able to qualitatively determine the existence of highly hazardous pesticides in commercial pesticide formulations. It is suggested that this technology should be applied for routine monitoring in the market. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Fingerprinting food: current technologies for the detection of food adulteration and contamination.\n \n \n \n \n\n\n \n Ellis, D. I.; Brewster, V. L.; Dunn, W. B.; Allwood, J. W.; Golovanov, A. P.; and Goodacre, R.\n\n\n \n\n\n\n Chem. Soc. Rev.. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"FingerprintingPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{ellis_fingerprinting_2012,\n\ttitle = {Fingerprinting food: current technologies for the detection of food adulteration and contamination},\n\tissn = {0306-0012},\n\turl = {http://dx.doi.org/10.1039/C2CS35138B},\n\tabstract = {Major food adulteration and contamination events seem to occur with some regularity, such as the widely publicised adulteration of milk products with melamine and the recent microbial contamination of vegetables across Europe for example. With globalisation and rapid distribution systems, these can have international impacts with far-reaching and sometimes lethal consequences. These events, though potentially global in the modern era, are in fact far from contemporary, and deliberate adulteration of food products is probably as old as the food processing and production systems themselves. This review first introduces some background into these practices, both historically and contemporary, before introducing a range of the technologies currently available for the detection of food adulteration and contamination. These methods include the vibrational spectroscopies: near-infrared, mid-infrared, Raman; NMR spectroscopy, as well as a range of mass spectrometry (MS) techniques, amongst others. This subject area is particularly relevant at this time, as it not only concerns the continuous engagement with food adulterers, but also more recent issues such as food security, bioterrorism and climate change. It is hoped that this introductory overview acts as a springboard for researchers in science, technology, engineering, and industry, in this era of systems-level thinking and interdisciplinary approaches to new and contemporary problems.},\n\tjournal = {Chem. Soc. Rev.},\n\tauthor = {Ellis, David I. and Brewster, Victoria L. and Dunn, Warwick B. and Allwood, J. William and Golovanov, Alexander P. and Goodacre, Royston},\n\tyear = {2012},\n}\n\n\n\n
\n
\n\n\n
\n Major food adulteration and contamination events seem to occur with some regularity, such as the widely publicised adulteration of milk products with melamine and the recent microbial contamination of vegetables across Europe for example. With globalisation and rapid distribution systems, these can have international impacts with far-reaching and sometimes lethal consequences. These events, though potentially global in the modern era, are in fact far from contemporary, and deliberate adulteration of food products is probably as old as the food processing and production systems themselves. This review first introduces some background into these practices, both historically and contemporary, before introducing a range of the technologies currently available for the detection of food adulteration and contamination. These methods include the vibrational spectroscopies: near-infrared, mid-infrared, Raman; NMR spectroscopy, as well as a range of mass spectrometry (MS) techniques, amongst others. This subject area is particularly relevant at this time, as it not only concerns the continuous engagement with food adulterers, but also more recent issues such as food security, bioterrorism and climate change. It is hoped that this introductory overview acts as a springboard for researchers in science, technology, engineering, and industry, in this era of systems-level thinking and interdisciplinary approaches to new and contemporary problems.\n
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\n \n\n \n \n \n \n \n \n DART-Orbitrap MS: a novel mass spectrometric approach for the identification of phenolic compounds in propolis.\n \n \n \n \n\n\n \n Chernetsova, E.; Bromirski, M.; Scheibner, O.; and Morlock, G.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–9. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DART-OrbitrapPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_dart-orbitrap_2012,\n\ttitle = {{DART}-{Orbitrap} {MS}: a novel mass spectrometric approach for the identification of phenolic compounds in propolis},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5800-6},\n\tabstract = {This is the first direct analysis in real-time mass spectrometry (DART-MS) study of propolis and a first study on the analysis of bee products using high-resolution DART-MS (DART-HRMS). Identification of flavonoids and other phenolic compounds in propolis using direct analysis in real-time coupling with Orbitrap mass spectrometry (DART-Orbitrap MS) was performed in the negative ion mode for minimizing the matrix effects, while the positive ion mode was used for the confirmation of selected compounds. Possible elemental formulae were suggested for marker components. The duration of one sample analysis by DART-MS analysis lasted ca . 30 s, and all benefits of high-resolution mass spectrometry were used upon data processing using the coupling of DART with the Orbitrap mass spectrometer. The possibility for scanning analysis of dried propolis extract spots on a planar porous surface was investigated in the heated gas flow of the DART ion source with adjustable angle. As an independent method, the approach of scanning analysis is of high interest and of future potential for confirmation of the results obtained from liquid sample analysis. Scanning analysis is highly promising for further development in the bioanalytical field due to the convenience of the storage and transportation of dried sample spots.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Chernetsova, Elena and Bromirski, Maciej and Scheibner, Olaf and Morlock, Gertrud},\n\tyear = {2012},\n\tpages = {1--9},\n}\n\n\n\n
\n
\n\n\n
\n This is the first direct analysis in real-time mass spectrometry (DART-MS) study of propolis and a first study on the analysis of bee products using high-resolution DART-MS (DART-HRMS). Identification of flavonoids and other phenolic compounds in propolis using direct analysis in real-time coupling with Orbitrap mass spectrometry (DART-Orbitrap MS) was performed in the negative ion mode for minimizing the matrix effects, while the positive ion mode was used for the confirmation of selected compounds. Possible elemental formulae were suggested for marker components. The duration of one sample analysis by DART-MS analysis lasted ca . 30 s, and all benefits of high-resolution mass spectrometry were used upon data processing using the coupling of DART with the Orbitrap mass spectrometer. The possibility for scanning analysis of dried propolis extract spots on a planar porous surface was investigated in the heated gas flow of the DART ion source with adjustable angle. As an independent method, the approach of scanning analysis is of high interest and of future potential for confirmation of the results obtained from liquid sample analysis. Scanning analysis is highly promising for further development in the bioanalytical field due to the convenience of the storage and transportation of dried sample spots.\n
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\n \n\n \n \n \n \n \n \n DART MS based chemical profiling for therapeutic potential of Piper betle landraces.\n \n \n \n \n\n\n \n Bajpai, V; Pandey, R; Negi, M.; Kumar, N; and Kumar, B\n\n\n \n\n\n\n Natural product communications, 7(12): 1627–1629. December 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{bajpai_dart_2012,\n\ttitle = {{DART} {MS} based chemical profiling for therapeutic potential of {Piper} betle landraces.},\n\tvolume = {7},\n\turl = {http://europepmc.org/abstract/MED/23413569},\n\tabstract = {Piper betle Linn. leaves are traditionally used as a folk medicine in India and other Asiatic countries. Twenty-one P. betle landraces were analyzed using a Direct Analysis in Real Time (DART) mass spectral technique and evaluated on the basis of molecules detected in the leaves. Clustering of landraces based on three well known biologically active phenols (m/z 151,165,193) showed two broad groups with high and low phenol contents suggesting differences in their therapeutic potential. Findings of this study could be useful in rapid screening of the landraces for determining their medicinal potential and optimum utilization of the bioresource.},\n\tnumber = {12},\n\tjournal = {Natural product communications},\n\tauthor = {Bajpai, V and Pandey, R and Negi, MP and Kumar, N and Kumar, B},\n\tmonth = dec,\n\tyear = {2012},\n\tkeywords = {Calibration, Computer Systems, Drug Evaluation, Preclinical, Oils, Volatile, Phenols, Piper betle, Plant Leaves, Software, mass spectrometry},\n\tpages = {1627--1629},\n}\n\n\n\n
\n
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\n Piper betle Linn. leaves are traditionally used as a folk medicine in India and other Asiatic countries. Twenty-one P. betle landraces were analyzed using a Direct Analysis in Real Time (DART) mass spectral technique and evaluated on the basis of molecules detected in the leaves. Clustering of landraces based on three well known biologically active phenols (m/z 151,165,193) showed two broad groups with high and low phenol contents suggesting differences in their therapeutic potential. Findings of this study could be useful in rapid screening of the landraces for determining their medicinal potential and optimum utilization of the bioresource.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry and multivariate data analysis: A novel approach to rapid identification of analytical markers for quality control of traditional Chinese medicine preparation.\n \n \n \n \n\n\n \n Zeng, S.; Wang, L.; Chen, T.; Wang, Y.; Mo, H.; and Qu, H.\n\n\n \n\n\n\n Analytica Chimica Acta, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zeng_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry and multivariate data analysis: {A} novel approach to rapid identification of analytical markers for quality control of traditional {Chinese} medicine preparation},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S000326701200596X},\n\tdoi = {10.1016/j.aca.2012.04.025},\n\tabstract = {The paper presents a novel strategy to identify analytical markers of traditional Chinese medicine preparation (TCMP) rapidly via direct analysis in real time mass spectrometry (DART-MS). A commonly used TCMP, Danshen injection, was employed as a model. The optimal analysis conditions were achieved by measuring the contribution of various experimental parameters to the mass spectra. Salvianolic acids and saccharides were simultaneously determined within a single 1-min DART-MS run. Furthermore, spectra of Danshen injections supplied by five manufacturers were processed with principal component analysis (PCA). Obvious clustering was observed in the PCA score plot, and candidate markers were recognized from the contribution plots of PCA. The suitability of potential markers was then confirmed by contrasting with the results of traditional analysis methods. Using this strategy, fructose, glucose, sucrose, protocatechuic aldehyde and salvianolic acid A were rapidly identified as the markers of Danshen injections. The combination of DART-MS with PCA provides a reliable approach to the identification of analytical markers for quality control of TCMP.},\n\tnumber = {0},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zeng, Shanshan and Wang, Lu and Chen, Teng and Wang, Yuefei and Mo, Huanbiao and Qu, Haibin},\n\tyear = {2012},\n\tkeywords = {Analytical marker, Direct analysis in real time, Principal component analysis, Traditional Chinese medicine preparation, mass spectrometry},\n}\n\n\n\n
\n
\n\n\n
\n The paper presents a novel strategy to identify analytical markers of traditional Chinese medicine preparation (TCMP) rapidly via direct analysis in real time mass spectrometry (DART-MS). A commonly used TCMP, Danshen injection, was employed as a model. The optimal analysis conditions were achieved by measuring the contribution of various experimental parameters to the mass spectra. Salvianolic acids and saccharides were simultaneously determined within a single 1-min DART-MS run. Furthermore, spectra of Danshen injections supplied by five manufacturers were processed with principal component analysis (PCA). Obvious clustering was observed in the PCA score plot, and candidate markers were recognized from the contribution plots of PCA. The suitability of potential markers was then confirmed by contrasting with the results of traditional analysis methods. Using this strategy, fructose, glucose, sucrose, protocatechuic aldehyde and salvianolic acid A were rapidly identified as the markers of Danshen injections. The combination of DART-MS with PCA provides a reliable approach to the identification of analytical markers for quality control of TCMP.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time by Mass Spectrometric Technique for Determining the Variation in Metabolite Profiles of Cinnamomum tamala Nees and Eberm Genotypes.\n \n \n \n \n\n\n \n Singh, V.; Gupta, A. K.; Singh, S. P.; and Kumar, A.\n\n\n \n\n\n\n The Scientific World Journal, 2012: 6. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{singh_direct_2012,\n\ttitle = {Direct {Analysis} in {Real} {Time} by {Mass} {Spectrometric} {Technique} for {Determining} the {Variation} in {Metabolite} {Profiles} of {Cinnamomum} tamala {Nees} and {Eberm} {Genotypes}},\n\tvolume = {2012},\n\turl = {http://dx.doi.org/10.1100/2012/549265},\n\tabstract = {Cinnamomum tamala Nees \\& Eberm. is an important traditional  medicinal plant, mentioned in various ancient  literatures such as Ayurveda. Several of its medicinal properties have recently been proved. To characterize diversity in terms of metabolite profiles of Cinnamomum tamala Nees and Eberm genotypes, a newly emerging mass spectral ionization technique direct time in real time (DART) is very helpful. The DART ion source has been used to analyze an extremely wide range of phytochemicals present in leaves of Cinnamomum tamala. Ten genotypes were assessed for the presence of different phytochemicals. Phytochemical analysis showed the presence of mainly terpenes and phenols. These constituents vary in the different genotypes of Cinnamomum tamala. Principal component analysis has also been employed to analyze the DART data of these Cinnamomum genotypes. The result shows that the genotype of Cinnamomum tamala could be differentiated using DART MS data. The active components present in Cinnamomum tamala may be contributing significantly to high amount of antioxidant property of leaves and, in turn, conditional effects for diabetic patients.},\n\tjournal = {The Scientific World Journal},\n\tauthor = {Singh, Vineeta and Gupta, Atul Kumar and Singh, S. P. and Kumar, Anil},\n\tyear = {2012},\n\tpages = {6},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Cinnamomum tamala Nees & Eberm. is an important traditional medicinal plant, mentioned in various ancient literatures such as Ayurveda. Several of its medicinal properties have recently been proved. To characterize diversity in terms of metabolite profiles of Cinnamomum tamala Nees and Eberm genotypes, a newly emerging mass spectral ionization technique direct time in real time (DART) is very helpful. The DART ion source has been used to analyze an extremely wide range of phytochemicals present in leaves of Cinnamomum tamala. Ten genotypes were assessed for the presence of different phytochemicals. Phytochemical analysis showed the presence of mainly terpenes and phenols. These constituents vary in the different genotypes of Cinnamomum tamala. Principal component analysis has also been employed to analyze the DART data of these Cinnamomum genotypes. The result shows that the genotype of Cinnamomum tamala could be differentiated using DART MS data. The active components present in Cinnamomum tamala may be contributing significantly to high amount of antioxidant property of leaves and, in turn, conditional effects for diabetic patients.\n
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\n \n\n \n \n \n \n \n \n Analysis of select Dalbergia and trade timber using direct analysis in real time and time-of-flight mass spectrometry for CITES enforcement.\n \n \n \n \n\n\n \n Lancaster, C.; and Espinoza, E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1147–1156. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{lancaster_analysis_2012,\n\ttitle = {Analysis of select {Dalbergia} and trade timber using direct analysis in real time and time-of-flight mass spectrometry for {CITES} enforcement},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6215},\n\tdoi = {10.1002/rcm.6215},\n\tabstract = {RATIONALE\nInternational trade of several Dalbergia wood species is regulated by The Convention on International Trade in Endangered Species of Wild Fauna and Flora (CITES). In order to supplement morphological identification of these species, a rapid chemical method of analysis was developed. \nMETHODS\nUsing Direct Analysis in Real Time (DART) ionization coupled with Time-of-Flight (TOF) Mass Spectrometry (MS), selected Dalbergia and common trade species were analyzed. Each of the 13 wood species was classified using principal component analysis and linear discriminant analysis (LDA). These statistical data clusters served as reliable anchors for species identification of unknowns. \nRESULTS\nAnalysis of 20 or more samples from the 13 species studied in this research indicates that the DART-TOFMS results are reproducible. Statistical analysis of the most abundant ions gave good classifications that were useful for identifying unknown wood samples. \nCONCLUSIONS\nDART-TOFMS and LDA analysis of 13 species of selected timber samples and the statistical classification allowed for the correct assignment of unknown wood samples. This method is rapid and can be useful when anatomical identification is difficult but needed in order to support CITES enforcement. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Lancaster, Cady and Espinoza, Edgard},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1147--1156},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE International trade of several Dalbergia wood species is regulated by The Convention on International Trade in Endangered Species of Wild Fauna and Flora (CITES). In order to supplement morphological identification of these species, a rapid chemical method of analysis was developed. METHODS Using Direct Analysis in Real Time (DART) ionization coupled with Time-of-Flight (TOF) Mass Spectrometry (MS), selected Dalbergia and common trade species were analyzed. Each of the 13 wood species was classified using principal component analysis and linear discriminant analysis (LDA). These statistical data clusters served as reliable anchors for species identification of unknowns. RESULTS Analysis of 20 or more samples from the 13 species studied in this research indicates that the DART-TOFMS results are reproducible. Statistical analysis of the most abundant ions gave good classifications that were useful for identifying unknown wood samples. CONCLUSIONS DART-TOFMS and LDA analysis of 13 species of selected timber samples and the statistical classification allowed for the correct assignment of unknown wood samples. This method is rapid and can be useful when anatomical identification is difficult but needed in order to support CITES enforcement. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Rapid control of Chinese star anise fruits and teas for neurotoxic anisatin by Direct Analysis in Real Time (DART) high resolution mass spectrometry.\n \n \n \n \n\n\n \n Shen, Y.; van Beek, T. A.; Claassen, F. W.; Zuilhof, H.; Chen, B.; and Nielen, M. W.\n\n\n \n\n\n\n Journal of Chromatography A, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{shen_rapid_2012,\n\ttitle = {Rapid control of {Chinese} star anise fruits and teas for neurotoxic anisatin by {Direct} {Analysis} in {Real} {Time} ({DART}) high resolution mass spectrometry},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967312004712},\n\tdoi = {10.1016/j.chroma.2012.03.058},\n\tabstract = {After ingestion, products containing Chinese star anise (Illicium verum) contaminated or adulterated with Japanese star anise (Illicium anisatum) or other Illicium species, can cause epilepsy, hallucinations, and nausea due to the rare neurotoxic sesquiterpene dilactone anisatin that is present in Japanese star anise. Thus a rapid, simple and unambiguous method for distinguishing between the morphologically similar Chinese star anise and toxic Japanese star anise is important for food safety issues. Direct Analysis in Real Time (DART) ambient ionisation coupled with orbitrap high resolution mass spectrometry allowed the recording of mass spectra of anisatin in solid star anise fruits in seconds without any prior sample pretreatment. Spectra could be obtained in both positive ([M+NH4]+ at m/z 346.1496, C15H24NO8) and negative mode ([M−H]− at m/z 327.1074, C15H19O8) and gave the same outcome provided a mass resolution of at least 27,000 is available. The anisatin signal was typically \\&gt;1000 times larger in Japanese star anise than in Chinese star anise thus allowing an unequivocal qualitative determination. Herbal teas containing star anise fragments too small to be visually recognised, could be analysed by preparing a tea in 6\\&\\#xa0;min and subsequently sampling ∼2\\&\\#xa0;μL of tea on a glass rod. None of the 8 investigated retail teas contained significant quantities of anisatin. Spiking a complex herbal tea containing Chinese star anise with an equally concentrated tea prepared from Japanese star anise provided a linear calibration curve (R2\\&\\#xa0;≥\\&\\#xa0;0.995) after normalising on a native constituent of Chinese star anise (standard addition method). This showed that adulteration down to 1\\% (w/w) is still measurable. Compared with existing PCR, TLC, GC–MS and HPLC–ESI-MS/MS procedures, the proposed DART–HRMS procedure is faster and simpler and moreover measures the actual biotoxin.},\n\tnumber = {0},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Shen, Yao and van Beek, Teris A. and Claassen, Frank W. and Zuilhof, Han and Chen, Bo and Nielen, Michel W.F.},\n\tyear = {2012},\n\tkeywords = {Anisatin, Biotoxin, DART, Food analysis, Star anise, mass spectrometry},\n}\n\n\n\n
\n
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\n After ingestion, products containing Chinese star anise (Illicium verum) contaminated or adulterated with Japanese star anise (Illicium anisatum) or other Illicium species, can cause epilepsy, hallucinations, and nausea due to the rare neurotoxic sesquiterpene dilactone anisatin that is present in Japanese star anise. Thus a rapid, simple and unambiguous method for distinguishing between the morphologically similar Chinese star anise and toxic Japanese star anise is important for food safety issues. Direct Analysis in Real Time (DART) ambient ionisation coupled with orbitrap high resolution mass spectrometry allowed the recording of mass spectra of anisatin in solid star anise fruits in seconds without any prior sample pretreatment. Spectra could be obtained in both positive ([M+NH4]+ at m/z 346.1496, C15H24NO8) and negative mode ([M−H]− at m/z 327.1074, C15H19O8) and gave the same outcome provided a mass resolution of at least 27,000 is available. The anisatin signal was typically >1000 times larger in Japanese star anise than in Chinese star anise thus allowing an unequivocal qualitative determination. Herbal teas containing star anise fragments too small to be visually recognised, could be analysed by preparing a tea in 6 min and subsequently sampling ∼2 μL of tea on a glass rod. None of the 8 investigated retail teas contained significant quantities of anisatin. Spiking a complex herbal tea containing Chinese star anise with an equally concentrated tea prepared from Japanese star anise provided a linear calibration curve (R2 ≥ 0.995) after normalising on a native constituent of Chinese star anise (standard addition method). This showed that adulteration down to 1% (w/w) is still measurable. Compared with existing PCR, TLC, GC–MS and HPLC–ESI-MS/MS procedures, the proposed DART–HRMS procedure is faster and simpler and moreover measures the actual biotoxin.\n
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\n \n\n \n \n \n \n \n Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization.\n \n \n \n\n\n \n He, X.; Xie, Z.; Gao, Y.; Hu, W.; Guo, L.; Jiang, L.; and Lu, Y.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 67: 64–73. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{he_mass_2012,\n\ttitle = {Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization},\n\tvolume = {67},\n\tabstract = {Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {He, X.N. and Xie, Z.Q. and Gao, Y. and Hu, W. and Guo, L.B. and Jiang, L. and Lu, Y.F.},\n\tyear = {2012},\n\tkeywords = {LI-TOFMS; DART; Laser-induced plasma; LIBS; AccuTOF},\n\tpages = {64--73},\n}\n\n\n\n
\n
\n\n\n
\n Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.\n
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\n \n\n \n \n \n \n \n \n Normal phase LC coupled with DART-MS for the chiral analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol and jasmonic acid.\n \n \n \n \n\n\n \n Chang, C.; Zhou, Z.; Yang, Y.; Han, Y.; Bai, Y.; Zhao, M.; and Liu, H.\n\n\n \n\n\n\n ELECTROPHORESIS,n/a. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"NormalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{chang_normal_2012,\n\ttitle = {Normal phase {LC} coupled with {DART}-{MS} for the chiral analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol and jasmonic acid},\n\tissn = {1522-2683},\n\turl = {http://dx.doi.org/10.1002/elps.201200122},\n\tdoi = {10.1002/elps.201200122},\n\tabstract = {Normal phase chiral liquid chromatography has been proved to be powerful and efficient for chiral separation. However, the combination of normal phase liquid chromatography (NPLC) with electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) is restricted by the poor ionization efficiency and thermal fragmentations of analytes to some extent. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization technique that shows high ionization efficiency of the analytes in the normal phase mobile phase. In this work, we coupled chiral NPLC to DART-MS for the chiral qualitative and quantitative analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) and jasmonic acid (JA) enantiomers. Satisfactory results for the enantiomers of NNAL operating in the positive mode were obtained in terms of linearity (2.5–250 μg/mL, R2, 0.999–1.000) and repeatability (25 μg/mL, RSDs, 4.7–5.6\\%). Moreover, chiral NPLC-DART-MS resulted in the simultaneous chiral separation and detection of JA enantiomers, which are very difficult to be analyzed by NPLC-ESI-MS and NPLC-APCI-MS. Compared with the coupled techniques of NPLC-ESI-MS and NPLC-APCI-MS, NPLC-DART-MS showed advantages in increasing the ionization efficiency and reducing the in-source thermal fragmentation of analytes.},\n\tjournal = {ELECTROPHORESIS},\n\tauthor = {Chang, Cuilan and Zhou, Zhigui and Yang, Youyou and Han, Yehua and Bai, Yu and Zhao, Meiping and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol, Chiral separation, DART-MS, Jasmonic acid, NPLC},\n\tpages = {n/a},\n}\n\n\n\n
\n
\n\n\n
\n Normal phase chiral liquid chromatography has been proved to be powerful and efficient for chiral separation. However, the combination of normal phase liquid chromatography (NPLC) with electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) is restricted by the poor ionization efficiency and thermal fragmentations of analytes to some extent. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization technique that shows high ionization efficiency of the analytes in the normal phase mobile phase. In this work, we coupled chiral NPLC to DART-MS for the chiral qualitative and quantitative analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) and jasmonic acid (JA) enantiomers. Satisfactory results for the enantiomers of NNAL operating in the positive mode were obtained in terms of linearity (2.5–250 μg/mL, R2, 0.999–1.000) and repeatability (25 μg/mL, RSDs, 4.7–5.6%). Moreover, chiral NPLC-DART-MS resulted in the simultaneous chiral separation and detection of JA enantiomers, which are very difficult to be analyzed by NPLC-ESI-MS and NPLC-APCI-MS. Compared with the coupled techniques of NPLC-ESI-MS and NPLC-APCI-MS, NPLC-DART-MS showed advantages in increasing the ionization efficiency and reducing the in-source thermal fragmentation of analytes.\n
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\n \n\n \n \n \n \n \n \n Assessing the capabilities of direct analysis in real time mass spectrometry for 5-hydroxymethylfurfural quantitation in honey.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 314(0): 22–32. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AssessingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{chernetsova_assessing_2012,\n\ttitle = {Assessing the capabilities of direct analysis in real time mass spectrometry for 5-hydroxymethylfurfural quantitation in honey},\n\tvolume = {314},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380612000280},\n\tdoi = {10.1016/j.ijms.2012.01.012},\n\tabstract = {The limitations of direct analysis in real time mass spectrometry (DART-MS) were shown with the example of 5-hydroxymethylfurfural (HMF) quantitation in honey. An accurate analyte quantitation was impossible because the carbohydrate matrix partially degraded to the analyte in the ionization region. However, at a decreased DART temperature of 150\\&\\#xa0;°C, the DART-MS screening was possible using two spiked reference samples. The influence of instrumental parameters on the composition of the DART mass spectra for HMF and carbohydrates was investigated. Also, first data on scanning surface analysis with DART-MS were obtained giving rise for further studies in this direction.},\n\tnumber = {0},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tyear = {2012},\n\tkeywords = {5-Hydroxymethylfurfural, Carbohydrates, Direct analysis in real time mass spectrometry, Direct analysis in real time mass spectrometry; Honey; 5-Hydroxymethylfurfural; HMF; Carbohydrates; Screening assays, HMF, Honey, Screening},\n\tpages = {22--32},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The limitations of direct analysis in real time mass spectrometry (DART-MS) were shown with the example of 5-hydroxymethylfurfural (HMF) quantitation in honey. An accurate analyte quantitation was impossible because the carbohydrate matrix partially degraded to the analyte in the ionization region. However, at a decreased DART temperature of 150 °C, the DART-MS screening was possible using two spiked reference samples. The influence of instrumental parameters on the composition of the DART mass spectra for HMF and carbohydrates was investigated. Also, first data on scanning surface analysis with DART-MS were obtained giving rise for further studies in this direction.\n
\n\n\n
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\n \n\n \n \n \n \n \n \n Ambient analysis by thermal desorption atmospheric pressure photoionization.\n \n \n \n \n\n\n \n Jorabchi, K.; Hanold, K.; and Syage, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–8. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{jorabchi_ambient_2012,\n\ttitle = {Ambient analysis by thermal desorption atmospheric pressure photoionization},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-6536-z},\n\tdoi = {10.1007/s00216-012-6536-z},\n\tabstract = {Ambient mass spectrometry has attracted substantial attention in recent years. Among ambient ionization methods, thermal desorption ionization stands out because of two attributes: (1) simplicity, rendering the technique suitable for in-field applications, and (2) ability to couple with a variety of gas-phase ionization methods thereby broadening the range of molecules that can be analyzed with this method. Here, we report on improving the performance of a direct analysis in real time (DART) source by implementing atmospheric pressure photoionization (APPI) downstream of the desorption region. At identical desorption and ion sampling conditions, APPI leads to detection of radical molecular ions from non-polar compounds that are absent from the spectra generated by DART alone. Moreover, a factor of 3–5 improvement in sensitivity is observed using APPI for positive ions commonly detected by DART and DART-APPI. Using helium and nitrogen as desorption gases, APPI shows identical performance regardless of desorption gas type. In contrast, a dramatic decrease in sensitivity is observed for DART operated with nitrogen compared to DART with helium. Comparable performance for DART and DART-APPI are observed in negative ion mode, although both show a drastic improvement in the absence of the Vapur interface. This interface creates a differentially pumped chamber prior to inlet of the mass spectrometer and reduces the mass spectrometer gas load when helium is used as desorption gas.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Jorabchi, Kaveh and Hanold, Karl and Syage, Jack},\n\tmonth = nov,\n\tyear = {2012},\n\tkeywords = {Ambient mass spectrometry, Direct analysis in real time, Photoionization},\n\tpages = {1--8},\n}\n\n\n\n
\n
\n\n\n
\n Ambient mass spectrometry has attracted substantial attention in recent years. Among ambient ionization methods, thermal desorption ionization stands out because of two attributes: (1) simplicity, rendering the technique suitable for in-field applications, and (2) ability to couple with a variety of gas-phase ionization methods thereby broadening the range of molecules that can be analyzed with this method. Here, we report on improving the performance of a direct analysis in real time (DART) source by implementing atmospheric pressure photoionization (APPI) downstream of the desorption region. At identical desorption and ion sampling conditions, APPI leads to detection of radical molecular ions from non-polar compounds that are absent from the spectra generated by DART alone. Moreover, a factor of 3–5 improvement in sensitivity is observed using APPI for positive ions commonly detected by DART and DART-APPI. Using helium and nitrogen as desorption gases, APPI shows identical performance regardless of desorption gas type. In contrast, a dramatic decrease in sensitivity is observed for DART operated with nitrogen compared to DART with helium. Comparable performance for DART and DART-APPI are observed in negative ion mode, although both show a drastic improvement in the absence of the Vapur interface. This interface creates a differentially pumped chamber prior to inlet of the mass spectrometer and reduces the mass spectrometer gas load when helium is used as desorption gas.\n
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\n \n\n \n \n \n \n \n \n Analysis of isoflavones in soybeans employing direct analysis in real-time ionization–high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Lojza, J.; Cajka, T.; Schulzova, V.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Separation Science, 35(3): 476–481. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{lojza_analysis_2012,\n\ttitle = {Analysis of isoflavones in soybeans employing direct analysis in real-time ionization–high-resolution mass spectrometry},\n\tvolume = {35},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.201100882},\n\tdoi = {10.1002/jssc.201100882},\n\tabstract = {A direct analysis in real-time (DART) ion source coupled to a high-resolution orbitrap mass spectrometer was used for the quantitative analysis of isoflavones isolated from soybeans. For the isolation of genistein, daidzein, glycitein, and their respective acetyl, malonyl, and glucoside forms, an extraction employing 80\\% aqueous MeOH enhanced by sonication was used. As far as the total isoflavones (expressed as aglycones) were to be determined, an acid hydrolysis with 80\\% aqueous EtOH and refluxing had to be employed, while in the latter case a good agreement of the results with the data generated by the UHPLC-orbitrap MS method was achieved, in the case of the analysis of non-hydrolyzed extracts, some overestimation of the results as compared with those generated by UHPLC-orbitrap MS was observed. A careful investigation of this phenomenon showed that the free aglycones originated from the conjugated forms of isoflavones in the DART ion source, thus contributing significantly to the “free” genistein/daidzein/glycitein signals during the DART analysis. Good recoveries (95–102\\%) and repeatabilities (RSD: 7–15\\%) were obtained at the spiking levels of 0.5, 1, and 0.05 g/kg, for daidzein, genistein, and glycitein, respectively. The limits of detection estimated for the respective analytes were 5 mg/kg.},\n\tnumber = {3},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Lojza, Jaromir and Cajka, Tomas and Schulzova, Vera and Riddellova, Katerina and Hajslova, Jana},\n\tyear = {2012},\n\tkeywords = {Ambient mass spectrometry, Ambient mass spectrometry; Direct analysis in real time; Isoflavones; Phytoestrogens; Soybean; orbitrap, Direct analysis in real time, Isoflavones, Phytoestrogens, Soybean},\n\tpages = {476--481},\n}\n\n\n\n
\n
\n\n\n
\n A direct analysis in real-time (DART) ion source coupled to a high-resolution orbitrap mass spectrometer was used for the quantitative analysis of isoflavones isolated from soybeans. For the isolation of genistein, daidzein, glycitein, and their respective acetyl, malonyl, and glucoside forms, an extraction employing 80% aqueous MeOH enhanced by sonication was used. As far as the total isoflavones (expressed as aglycones) were to be determined, an acid hydrolysis with 80% aqueous EtOH and refluxing had to be employed, while in the latter case a good agreement of the results with the data generated by the UHPLC-orbitrap MS method was achieved, in the case of the analysis of non-hydrolyzed extracts, some overestimation of the results as compared with those generated by UHPLC-orbitrap MS was observed. A careful investigation of this phenomenon showed that the free aglycones originated from the conjugated forms of isoflavones in the DART ion source, thus contributing significantly to the “free” genistein/daidzein/glycitein signals during the DART analysis. Good recoveries (95–102%) and repeatabilities (RSD: 7–15%) were obtained at the spiking levels of 0.5, 1, and 0.05 g/kg, for daidzein, genistein, and glycitein, respectively. The limits of detection estimated for the respective analytes were 5 mg/kg.\n
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\n \n\n \n \n \n \n \n \n Sensitivity “Hot Spots” in the Direct Analysis in Real Time Mass Spectrometry of Nerve Agent Simulants.\n \n \n \n \n\n\n \n Harris, G. A.; Falcone, C. E.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 23(1): 153–161. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"SensitivityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{harris_sensitivity_2012,\n\ttitle = {Sensitivity “{Hot} {Spots}” in the {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} of {Nerve} {Agent} {Simulants}},\n\tvolume = {23},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-011-0276-8},\n\tdoi = {10.1007/s13361-011-0276-8},\n\tabstract = {Presented here are findings describing the spatial-dependence of sensitivity and ion suppression effects observed with direct analysis in real time (DART). Continuous liquid infusion of dimethyl methyl phosphonate (DMMP) revealed that ion yield “hot spots” did not always correspond with the highest temperature regions within the ionization space. For instance, at lower concentrations (50 and 100 μM), the highest sensitivities were in the middle of the ionization region at 200 °C where there was a shorter ion transport distance, and the heat available to thermally desorb neutrals was moderate. Conversely, at higher DMMP concentrations (500 μM), the highest ion yield was directly in front of the DART source at 200 °C where it was exposed to the highest temperature for thermal desorption. In matching experiments, differential analyte volatility was observed to play a smaller role in relative ion suppression than differences in proton affinity and the relative sampling positions of analytes. At equimolar concentrations sampled at the same position, suppression was as high as 26× between isoquinoline (proton affinity 952 kJ mol–1, boiling point 242 °C) and p-anisidine (proton affinity 900 kJ mol–1, boiling point 243 °C). This effect was exacerbated when sampling positions of the two analytes differed, reaching levels of relative suppression as high as 4543.0× ± 1406.0. To mitigate this level of relative ion suppression, sampling positions and molar ratios of the analytes were modified to create conditions in which ion suppression was negligible.},\n\tnumber = {1},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Harris, Glenn A. and Falcone, Caitlin E. and Fernández, Facundo M.},\n\tyear = {2012},\n\tkeywords = {Biomedical and Life Sciences, Direct analysis in real time (DART); Ambient MS; Ionization fundamentals; Ion suppression; Nerve agent simulants; AccuTOF},\n\tpages = {153--161},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Presented here are findings describing the spatial-dependence of sensitivity and ion suppression effects observed with direct analysis in real time (DART). Continuous liquid infusion of dimethyl methyl phosphonate (DMMP) revealed that ion yield “hot spots” did not always correspond with the highest temperature regions within the ionization space. For instance, at lower concentrations (50 and 100 μM), the highest sensitivities were in the middle of the ionization region at 200 °C where there was a shorter ion transport distance, and the heat available to thermally desorb neutrals was moderate. Conversely, at higher DMMP concentrations (500 μM), the highest ion yield was directly in front of the DART source at 200 °C where it was exposed to the highest temperature for thermal desorption. In matching experiments, differential analyte volatility was observed to play a smaller role in relative ion suppression than differences in proton affinity and the relative sampling positions of analytes. At equimolar concentrations sampled at the same position, suppression was as high as 26× between isoquinoline (proton affinity 952 kJ mol–1, boiling point 242 °C) and p-anisidine (proton affinity 900 kJ mol–1, boiling point 243 °C). This effect was exacerbated when sampling positions of the two analytes differed, reaching levels of relative suppression as high as 4543.0× ± 1406.0. To mitigate this level of relative ion suppression, sampling positions and molar ratios of the analytes were modified to create conditions in which ion suppression was negligible.\n
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\n \n\n \n \n \n \n \n \n Coupling of planar chromatography with Direct Analysis in Real Time mass spectrometry.\n \n \n \n \n\n\n \n Morlock, G.; and Chernetsova, E.\n\n\n \n\n\n\n Central European Journal of Chemistry, 10(3): 703–710. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"CouplingPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{morlock_coupling_2012,\n\ttitle = {Coupling of planar chromatography with {Direct} {Analysis} in {Real} {Time} mass spectrometry},\n\tvolume = {10},\n\tissn = {1895-1066},\n\turl = {http://dx.doi.org/10.2478/s11532-012-0025-2},\n\tabstract = {Direct Analysis in Real Time mass spectrometry (DART-MS) is an emerging and rapidly developing area of ambient desorption ionization mass spectrometric techniques. Its coupling with planar chromatography is especially promising, as compared to other ambient desorption ionization techniques, because it does not require the use of liquids that may distort the shape of a spot by diffusion effects. In the first publications on TLC/HPTLC-DART-MS, due to the fixed, horizontally aligned supply of the gas flow from the DART ionization source to the MS inlet, the introduction of HPTLC/TLC plates as cut strips was inconvenient for quantitation, and the repeatability was very low due to the manual positioning. Recently a new version of the DART ion source was suggested, which allows adjusting the angle of the DART gas stream and the use of a motorized rail, thereby, improving highly the capabilities of TLC/HPTLC-DART-MS. This comprehensive review describes the development and analytical capabilities of TLC/HPTLC-DART-MS, and the general DART-MS perspectives for surface analysis or imaging MS.},\n\tnumber = {3},\n\tjournal = {Central European Journal of Chemistry},\n\tauthor = {Morlock, Gertrud and Chernetsova, Elena},\n\tyear = {2012},\n\tpages = {703--710},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time mass spectrometry (DART-MS) is an emerging and rapidly developing area of ambient desorption ionization mass spectrometric techniques. Its coupling with planar chromatography is especially promising, as compared to other ambient desorption ionization techniques, because it does not require the use of liquids that may distort the shape of a spot by diffusion effects. In the first publications on TLC/HPTLC-DART-MS, due to the fixed, horizontally aligned supply of the gas flow from the DART ionization source to the MS inlet, the introduction of HPTLC/TLC plates as cut strips was inconvenient for quantitation, and the repeatability was very low due to the manual positioning. Recently a new version of the DART ion source was suggested, which allows adjusting the angle of the DART gas stream and the use of a motorized rail, thereby, improving highly the capabilities of TLC/HPTLC-DART-MS. This comprehensive review describes the development and analytical capabilities of TLC/HPTLC-DART-MS, and the general DART-MS perspectives for surface analysis or imaging MS.\n
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\n \n\n \n \n \n \n \n \n Rapid classification of White Oak (Quercus alba) and Northern Red Oak (Quercus rubra) by using pyrolysis direct analysis in real time (DART™) and time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Cody, R. B.; Dane, A. J.; Dawson-Andoh, B.; Adedipe, E. O.; and Nkansah, K.\n\n\n \n\n\n\n Journal of Analytical and Applied Pyrolysis, 95(0): 134–137. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cody_rapid_2012,\n\ttitle = {Rapid classification of {White} {Oak} ({Quercus} alba) and {Northern} {Red} {Oak} ({Quercus} rubra) by using pyrolysis direct analysis in real time ({DART}™) and time-of-flight mass spectrometry},\n\tvolume = {95},\n\tissn = {0165-2370},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0165237012000204},\n\tdoi = {10.1016/j.jaap.2012.01.018},\n\tabstract = {Thirty-four samples of Red Oak (Quercus rubra) and fifty samples of White Oak (Quercus alba) were analyzed by pyrolytic direct analysis in real time (DART) ionization coupled with time-of-flight (TOF) mass spectrometry. Although significant differences were not observed in the positive-ion mass spectra, the negative-ion mass spectra showed clear differences. Principal component analysis (PCA) and linear discriminant analysis (LDA) were calculated for the relative abundances of 11 peaks in the negative-ion mass spectra including peaks tentatively assigned as representing deprotonated acetic, malic, gallic, dimethoxycinnamic, and ellagic acids. Leave one out cross validation (LOOCV) was 100\\% successful in classifying the samples for both PCA and LDA.},\n\tnumber = {0},\n\tjournal = {Journal of Analytical and Applied Pyrolysis},\n\tauthor = {Cody, Robert B. and Dane, A. John and Dawson-Andoh, Benjamin and Adedipe, Emmanuel Oluwatosin and Nkansah, Kofi},\n\tyear = {2012},\n\tkeywords = {AccuTOF, Ambient ionization, Direct analysis in real time, Red oak, Time-of-flight, White oak},\n\tpages = {134--137},\n}\n\n\n\n
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\n Thirty-four samples of Red Oak (Quercus rubra) and fifty samples of White Oak (Quercus alba) were analyzed by pyrolytic direct analysis in real time (DART) ionization coupled with time-of-flight (TOF) mass spectrometry. Although significant differences were not observed in the positive-ion mass spectra, the negative-ion mass spectra showed clear differences. Principal component analysis (PCA) and linear discriminant analysis (LDA) were calculated for the relative abundances of 11 peaks in the negative-ion mass spectra including peaks tentatively assigned as representing deprotonated acetic, malic, gallic, dimethoxycinnamic, and ellagic acids. Leave one out cross validation (LOOCV) was 100% successful in classifying the samples for both PCA and LDA.\n
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\n \n\n \n \n \n \n \n Confined direct analysis in real time ion source and its applications in analysis of volatile organic compounds of Citrus limon (lemon) and Allium cepa (onion).\n \n \n \n\n\n \n Li, Y.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(10): 1194–1202. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{li_confined_2012,\n\ttitle = {Confined direct analysis in real time ion source and its applications in analysis of volatile organic compounds of {Citrus} limon (lemon) and {Allium} cepa (onion)},\n\tvolume = {26},\n\tdoi = {10.1002/rcm.6217},\n\tabstract = {The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique that enables efficient ionization of gases, liquids and solids with high throughput. A major limit to its wider application in the analysis of gases is its poor detection sensitivity caused by open-air sampling. In this study, a confined interface between the DART ion source outlet and mass spectrometer sampling orifice was developed, where the plasma generated by the atmospheric pressure glow discharge collides and ionizes gas-phase molecules in a Tee-shaped flow tube instead of in open air. It leads to significant increase of collision reaction probability between high energy metastable molecules and analytes. The experimental results show that the ionization efficiency was increased at least by two orders of magnitude. This technique was then applied in the real time analysis of volatile organic compounds (VOCs) of Citrus Limon (lemon) and wounded Allium Cepa (onion). The confined DART ion source was proved to be a powerful tool for the studies of plant metabolomics.},\n\tnumber = {10},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Li, Y.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1194--1202},\n}\n\n\n\n
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\n The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique that enables efficient ionization of gases, liquids and solids with high throughput. A major limit to its wider application in the analysis of gases is its poor detection sensitivity caused by open-air sampling. In this study, a confined interface between the DART ion source outlet and mass spectrometer sampling orifice was developed, where the plasma generated by the atmospheric pressure glow discharge collides and ionizes gas-phase molecules in a Tee-shaped flow tube instead of in open air. It leads to significant increase of collision reaction probability between high energy metastable molecules and analytes. The experimental results show that the ionization efficiency was increased at least by two orders of magnitude. This technique was then applied in the real time analysis of volatile organic compounds (VOCs) of Citrus Limon (lemon) and wounded Allium Cepa (onion). The confined DART ion source was proved to be a powerful tool for the studies of plant metabolomics.\n
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\n \n\n \n \n \n \n \n \n Biomarkers of Whale Shark Health: A Metabolomic Approach.\n \n \n \n \n\n\n \n Dove, A. D. M.; Leisen, J.; Zhou, M.; Byrne, J. J.; Lim-Hing, K.; Webb, H. D.; Gelbaum, L.; Viant, M. R.; Kubanek, J.; and Fernández, F. M.\n\n\n \n\n\n\n PLoS ONE, 7(11): e49379. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"BiomarkersPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{dove_biomarkers_2012,\n\ttitle = {Biomarkers of {Whale} {Shark} {Health}: {A} {Metabolomic} {Approach}},\n\tvolume = {7},\n\turl = {http://dx.doi.org/10.1371%2Fjournal.pone.0049379},\n\tdoi = {10.1371/journal.pone.0049379},\n\tabstract = {In a search for biomarkers of health in whale sharks and as exploration of metabolomics as a modern tool for understanding animal physiology, the metabolite composition of serum in six whale sharks (Rhincodon typus) from an aquarium collection was explored using 1H nuclear magnetic resonance (NMR) spectroscopy and direct analysis in real time (DART) mass spectrometry (MS). Principal components analysis (PCA) of spectral data showed that individual animals could be resolved based on the metabolite composition of their serum and that two unhealthy individuals could be discriminated from the remaining healthy animals. The major difference between healthy and unhealthy individuals was the concentration of homarine, here reported for the first time in an elasmobranch, which was present at substantially lower concentrations in unhealthy whale sharks, suggesting that this metabolite may be a useful biomarker of health status in this species. The function(s) of homarine in sharks remain uncertain but it likely plays a significant role as an osmolyte. The presence of trimethylamine oxide (TMAO), another well-known protective osmolyte of elasmobranchs, at 0.1–0.3 mol L−1 was also confirmed using both NMR and MS. Twenty-three additional potential biomarkers were identified based on significant differences in the frequency of their occurrence between samples from healthy and unhealthy animals, as detected by DART MS. Overall, NMR and MS provided complementary data that showed that metabolomics is a useful approach for biomarker prospecting in poorly studied species like elasmobranchs.},\n\tnumber = {11},\n\tjournal = {PLoS ONE},\n\tauthor = {Dove, Alistair D. M. and Leisen, Johannes and Zhou, Manshui and Byrne, Jonathan J. and Lim-Hing, Krista and Webb, Harry D. and Gelbaum, Leslie and Viant, Mark R. and Kubanek, Julia and Fernández, Facundo M.},\n\tmonth = nov,\n\tyear = {2012},\n\tpages = {e49379},\n}\n\n\n\n
\n
\n\n\n
\n In a search for biomarkers of health in whale sharks and as exploration of metabolomics as a modern tool for understanding animal physiology, the metabolite composition of serum in six whale sharks (Rhincodon typus) from an aquarium collection was explored using 1H nuclear magnetic resonance (NMR) spectroscopy and direct analysis in real time (DART) mass spectrometry (MS). Principal components analysis (PCA) of spectral data showed that individual animals could be resolved based on the metabolite composition of their serum and that two unhealthy individuals could be discriminated from the remaining healthy animals. The major difference between healthy and unhealthy individuals was the concentration of homarine, here reported for the first time in an elasmobranch, which was present at substantially lower concentrations in unhealthy whale sharks, suggesting that this metabolite may be a useful biomarker of health status in this species. The function(s) of homarine in sharks remain uncertain but it likely plays a significant role as an osmolyte. The presence of trimethylamine oxide (TMAO), another well-known protective osmolyte of elasmobranchs, at 0.1–0.3 mol L−1 was also confirmed using both NMR and MS. Twenty-three additional potential biomarkers were identified based on significant differences in the frequency of their occurrence between samples from healthy and unhealthy animals, as detected by DART MS. Overall, NMR and MS provided complementary data that showed that metabolomics is a useful approach for biomarker prospecting in poorly studied species like elasmobranchs.\n
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\n \n\n \n \n \n \n \n \n Validation of a Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for the quantitation of six carbon sugars in a saccharification matrix.\n \n \n \n \n\n\n \n Saang'onyo, D.; Selby, G.; and Smith, D. L.\n\n\n \n\n\n\n Anal. Methods. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{saangonyo_validation_2012,\n\ttitle = {Validation of a {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) method for the quantitation of six carbon sugars in a saccharification matrix},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C2AY25337B},\n\tabstract = {A Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for quantitation of six carbon sugars in saccharification matrix (solution used for the enzyme hydrolysis of switchgrass) was developed and validated. The DART ion source was used to produce ammonium adducts of the spiked glucose molecular ion and the d2-glucose (internal standard) that were detected by scanning with a linear ion trap. Calibration curves were obtained over a linear range of 10 to 3000 [small mu ]M with correlation coefficients better than 0.997 and method recoveries were 94.9\\% to 103.0\\%. Matrix effects were observed and managed with matrix-matching standards for generating calibration curves. Limits of detection and quantitation were 5.84 [times] 10-6 M and 1.95 [times] 10-5 M, respectively. These results indicate this method could be implemented for quantitation of glucose generated from saccharification samples.},\n\tjournal = {Anal. Methods},\n\tauthor = {Saang'onyo, Daudi and Selby, Gary and Smith, Darrin L.},\n\tyear = {2012},\n}\n\n\n\n
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\n A Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for quantitation of six carbon sugars in saccharification matrix (solution used for the enzyme hydrolysis of switchgrass) was developed and validated. The DART ion source was used to produce ammonium adducts of the spiked glucose molecular ion and the d2-glucose (internal standard) that were detected by scanning with a linear ion trap. Calibration curves were obtained over a linear range of 10 to 3000 [small mu ]M with correlation coefficients better than 0.997 and method recoveries were 94.9% to 103.0%. Matrix effects were observed and managed with matrix-matching standards for generating calibration curves. Limits of detection and quantitation were 5.84 [times] 10-6 M and 1.95 [times] 10-5 M, respectively. These results indicate this method could be implemented for quantitation of glucose generated from saccharification samples.\n
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\n \n\n \n \n \n \n \n \n Online Coupling of Capillary Electrophoresis with Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Chang, C.; Xu, G.; Bai, Y.; Zhang, C.; Li, X.; Li, M.; Liu, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical Chemistry. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"OnlinePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chang_online_2012,\n\ttitle = {Online {Coupling} of {Capillary} {Electrophoresis} with {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac303450v},\n\tdoi = {10.1021/ac303450v},\n\tabstract = {The online coupling of capillary electrophoresis with ambient direct analysis in real time mass spectrometry (DART-MS) was realized by a coaxial tip interface. The analytes eluted from CE were directly ionized by the metastable helium flux produced by DART and transferred into MS for the detection, with which the online separation and simultaneous detection were achieved. The CE-DART-MS can tolerate higher concentrations of detergents and salts than traditional CE-ESI-MS and avoided the difficulties of collecting CE effluent and cleaning the interface, which simplified the experimental procedures and shortened the analysis time. The performance of the technique was successfully verified by capillary zone electrophoresis (CZE) and micellar electrokinetic chromatography (MEKC) using a mixture of 4-aminoantipyrine, zolmitriptan and quinine. This online technique showed good repeatability with the RSDs (n=5) of 0.56{\\textasciitilde}1.23\\% for the retention times and 2.01{\\textasciitilde}7.41\\% for the peak areas. The quantitative analysis of 4-aminoantipyrine was accomplished in the range of 0.01{\\textasciitilde}0.50 mg/mL with the linear correlation coefficient of 0.9995 and limit of detection of 14.7 fmol. Compared with CE-ESI-MS, the ion suppression effects of non-volatile salts and detergents were efficiently minimized. The signal intensity remained constant when the concentrations reached 100 mM for sodium borate and 30 mM for SDS (in 30 mM sodium borate buffer). In addition, the proposed method was successfully applied to the detection of the endogenous caffeine in the Chinese white tea.},\n\turldate = {2012-12-04},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Chang, Cuilan and Xu, Gege and Bai, Yu and Zhang, Chengsen and Li, Xianjiang and Li, Min and Liu, Yi and Liu, Huwei},\n\tmonth = nov,\n\tyear = {2012},\n}\n\n\n\n
\n
\n\n\n
\n The online coupling of capillary electrophoresis with ambient direct analysis in real time mass spectrometry (DART-MS) was realized by a coaxial tip interface. The analytes eluted from CE were directly ionized by the metastable helium flux produced by DART and transferred into MS for the detection, with which the online separation and simultaneous detection were achieved. The CE-DART-MS can tolerate higher concentrations of detergents and salts than traditional CE-ESI-MS and avoided the difficulties of collecting CE effluent and cleaning the interface, which simplified the experimental procedures and shortened the analysis time. The performance of the technique was successfully verified by capillary zone electrophoresis (CZE) and micellar electrokinetic chromatography (MEKC) using a mixture of 4-aminoantipyrine, zolmitriptan and quinine. This online technique showed good repeatability with the RSDs (n=5) of 0.56~1.23% for the retention times and 2.01~7.41% for the peak areas. The quantitative analysis of 4-aminoantipyrine was accomplished in the range of 0.01~0.50 mg/mL with the linear correlation coefficient of 0.9995 and limit of detection of 14.7 fmol. Compared with CE-ESI-MS, the ion suppression effects of non-volatile salts and detergents were efficiently minimized. The signal intensity remained constant when the concentrations reached 100 mM for sodium borate and 30 mM for SDS (in 30 mM sodium borate buffer). In addition, the proposed method was successfully applied to the detection of the endogenous caffeine in the Chinese white tea.\n
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\n \n\n \n \n \n \n \n \n Estimation of camptothecin and pharmacological evaluation of Ophiorrhiza prostrata D. Don and Ophiorrhiza mungos L.\n \n \n \n \n\n\n \n Krishnakumar, G; Rameshkumar, K.; Srinivas, P.; Satheeshkumar, K; and Krishnan, P.\n\n\n \n\n\n\n Asian Pacific Journal of Tropical Biomedicine, 2(2, Supplement): S727–S731. February 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EstimationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{krishnakumar_estimation_2012,\n\ttitle = {Estimation of camptothecin and pharmacological evaluation of {Ophiorrhiza} prostrata {D}. {Don} and {Ophiorrhiza} mungos {L}.},\n\tvolume = {2},\n\tissn = {2221-1691},\n\turl = {http://www.sciencedirect.com/science/article/pii/S2221169112603049},\n\tdoi = {10.1016/S2221-1691(12)60304-9},\n\tabstract = {Objective \nTo carry out the qualitative and quantitative evaluation of camptothecin, estimation of total phenolic compounds and evaluation of in vitro antioxidant activity and cytotoxic activity of Ophiorrhiza prostrata and Ophiorrhiza mungos. \nMethods \nDirect Analysis in Real Time- Mass Spectrometry (DART-MS) was employed for the detection of camptothecin in the Ophiorrhiza species, while high performance thin layer chromatography (HPTLC) was used for the estimation of camptothecin. Total phenolic compounds were estimated by modified Folins-Ciocalteu's reagent method. Antioxidant activity was evaluated through DPPH radical, hydroxyl radical, superoxide radical scavenging assays and reducing power assay. The cytotoxicity evaluation was performed using MTT assay on MCF-7 cell lines. \nResults \nThe presence of camptothecin was confirmed in both the species by the [M++H] peak at 349 by DART-MS analysis. Camptothecin content was estimated as 1.47 μg/gm (dry wt) in O. prostrata and 188.60 μg/gm (dry wt) in O. mungos using HPTLC method. The moderate in vitro antioxidant activities of the methanol extracts corroborates with the low content of phenolic compounds in O. prostrata (9.88 GAE mg/g) and O. mungos (12.73 GAE mg/g). The methanol extract of O. prostrata exhibited remarkable cytotoxicity on human breast cancer cell lines (MCF-7), with IC50 value 1.10μg/mL compared to O. mungos (3.48μg/mL) and standard camptothecin (3.51μg/mL). \nConclusions \nThe application of DART-MS proved to be a simple and rapid technique for the detection of camptothecin in Ophiorrhiza species. The higher cytotoxicity for O. prostrata, despite the low content of camptothecin suggests the presence of other potential cytotoxic compounds in O. prostrata.},\n\tnumber = {2, Supplement},\n\tjournal = {Asian Pacific Journal of Tropical Biomedicine},\n\tauthor = {Krishnakumar, G and Rameshkumar, KB and Srinivas, Priya and Satheeshkumar, K and Krishnan, PN},\n\tmonth = feb,\n\tyear = {2012},\n\tkeywords = {Antioxidant activity, Camptothecin, Cytotoxicity, DART-MS analysis, HPTLC estimation, Ophiorrhiza mungos, Ophiorrhiza prostrata},\n\tpages = {S727--S731},\n}\n\n\n\n\n\n\n\n
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\n Objective To carry out the qualitative and quantitative evaluation of camptothecin, estimation of total phenolic compounds and evaluation of in vitro antioxidant activity and cytotoxic activity of Ophiorrhiza prostrata and Ophiorrhiza mungos. Methods Direct Analysis in Real Time- Mass Spectrometry (DART-MS) was employed for the detection of camptothecin in the Ophiorrhiza species, while high performance thin layer chromatography (HPTLC) was used for the estimation of camptothecin. Total phenolic compounds were estimated by modified Folins-Ciocalteu's reagent method. Antioxidant activity was evaluated through DPPH radical, hydroxyl radical, superoxide radical scavenging assays and reducing power assay. The cytotoxicity evaluation was performed using MTT assay on MCF-7 cell lines. Results The presence of camptothecin was confirmed in both the species by the [M++H] peak at 349 by DART-MS analysis. Camptothecin content was estimated as 1.47 μg/gm (dry wt) in O. prostrata and 188.60 μg/gm (dry wt) in O. mungos using HPTLC method. The moderate in vitro antioxidant activities of the methanol extracts corroborates with the low content of phenolic compounds in O. prostrata (9.88 GAE mg/g) and O. mungos (12.73 GAE mg/g). The methanol extract of O. prostrata exhibited remarkable cytotoxicity on human breast cancer cell lines (MCF-7), with IC50 value 1.10μg/mL compared to O. mungos (3.48μg/mL) and standard camptothecin (3.51μg/mL). Conclusions The application of DART-MS proved to be a simple and rapid technique for the detection of camptothecin in Ophiorrhiza species. The higher cytotoxicity for O. prostrata, despite the low content of camptothecin suggests the presence of other potential cytotoxic compounds in O. prostrata.\n
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\n \n\n \n \n \n \n \n \n Novel approaches to analysis of 3-chloropropane-1,2-diol esters in vegetable oils.\n \n \n \n \n\n\n \n Moravcova, E.; Vaclavik, L.; Lacina, O.; Hrbek, V.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 402(9): 2871–2883. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"NovelPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{moravcova_novel_2012,\n\ttitle = {Novel approaches to analysis of 3-chloropropane-1,2-diol esters in vegetable oils},\n\tvolume = {402},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5732-1},\n\tdoi = {10.1007/s00216-012-5732-1},\n\tabstract = {A sensitive and accurate method utilizing ultra-high performance liquid chromatography (U-HPLC) coupled to high resolution mass spectrometry based on orbitrap technology (orbitrapMS) for the analysis of nine 3-chloropropane-1,2-diol (3-MCPD) diesters in vegetable oils was developed. To remove the interfering triacylglycerols that induce strong matrix effects, a clean-up step on silica gel column was used. The quantitative analysis was performed with the use of deuterium-labeled internal standards. The lowest calibration levels estimated for the respective analytes ranged from 2 to 5 μg kg −1 . Good recovery values (89–120\\%) and repeatability (RSD 5–9\\%) was obtained at spiking levels of 2 and 10 mg kg −1 . As an alternative, a novel ambient desorption ionization technique, direct analysis in real time (DART), hyphenated with orbitrapMS, was employed for no separation, high-throughput, semi-quantitative screening of 3-MCPD diesters in samples obtained by chromatographic fractionation. Additionally, the levels of 3-MCPD diesters measured in real-life vegetable oil samples (palm oil, sunflower oil, rapeseed oil) using both methods are reported. Relatively good agreement of the data generated by U-HPLC-orbitrapMS and DART-orbitrapMS were observed. With regard to a low ionization yield achieved for 3-MCPD monoesters, the methods presented in this paper were not yet applicable for the analysis of these contaminants at the naturally occurring levels.},\n\tnumber = {9},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Moravcova, Eliska and Vaclavik, Lukas and Lacina, Ondrej and Hrbek, Vojtech and Riddellova, Katerina and Hajslova, Jana},\n\tyear = {2012},\n\tkeywords = {3-MCPD esters; Vegetable oils; U-HPLC-MS; DART-MS; orbitrap, Chemistry and Materials Science},\n\tpages = {2871--2883},\n}\n\n\n\n
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\n A sensitive and accurate method utilizing ultra-high performance liquid chromatography (U-HPLC) coupled to high resolution mass spectrometry based on orbitrap technology (orbitrapMS) for the analysis of nine 3-chloropropane-1,2-diol (3-MCPD) diesters in vegetable oils was developed. To remove the interfering triacylglycerols that induce strong matrix effects, a clean-up step on silica gel column was used. The quantitative analysis was performed with the use of deuterium-labeled internal standards. The lowest calibration levels estimated for the respective analytes ranged from 2 to 5 μg kg −1 . Good recovery values (89–120%) and repeatability (RSD 5–9%) was obtained at spiking levels of 2 and 10 mg kg −1 . As an alternative, a novel ambient desorption ionization technique, direct analysis in real time (DART), hyphenated with orbitrapMS, was employed for no separation, high-throughput, semi-quantitative screening of 3-MCPD diesters in samples obtained by chromatographic fractionation. Additionally, the levels of 3-MCPD diesters measured in real-life vegetable oil samples (palm oil, sunflower oil, rapeseed oil) using both methods are reported. Relatively good agreement of the data generated by U-HPLC-orbitrapMS and DART-orbitrapMS were observed. With regard to a low ionization yield achieved for 3-MCPD monoesters, the methods presented in this paper were not yet applicable for the analysis of these contaminants at the naturally occurring levels.\n
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\n \n\n \n \n \n \n \n \n Argon Direct Analysis in Real Time (Ar-DART) Mass Spectrometry in Conjunction with Make-Up Solvents: A Novel Method for Analysis of Labile Compounds.\n \n \n \n \n\n\n \n Yang, H.; Wan, D.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytical Chemistry. December 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ArgonPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{yang_argon_2012,\n\ttitle = {Argon {Direct} {Analysis} in {Real} {Time} ({Ar}-{DART}) {Mass} {Spectrometry} in {Conjunction} with {Make}-{Up} {Solvents}: {A} {Novel} {Method} for {Analysis} of {Labile} {Compounds}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3026543},\n\tdoi = {10.1021/ac3026543},\n\tabstract = {Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with make-up solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a make-up solvent (absolute ethyl alcohol, methanol, fluorobenzene or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.},\n\turldate = {2013-01-04},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Yang, Hongmei and Wan, Debin and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tmonth = dec,\n\tyear = {2012},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with make-up solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a make-up solvent (absolute ethyl alcohol, methanol, fluorobenzene or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.\n
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\n \n\n \n \n \n \n \n \n Direct mass spectrometric detection of trace explosives in soil samples.\n \n \n \n \n\n\n \n Ma, L.; Xin, B.; and Chen, Y.\n\n\n \n\n\n\n The Analyst, 137(7): 1730. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{ma_direct_2012,\n\ttitle = {Direct mass spectrometric detection of trace explosives in soil samples},\n\tvolume = {137},\n\tissn = {0003-2654, 1364-5528},\n\turl = {http://xlink.rsc.org/?DOI=c2an16058g},\n\tdoi = {10.1039/c2an16058g},\n\tlanguage = {en},\n\tnumber = {7},\n\turldate = {2016-02-02},\n\tjournal = {The Analyst},\n\tauthor = {Ma, Lipo and Xin, Bin and Chen, Yi},\n\tyear = {2012},\n\tpages = {1730},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n ID-CUBE direct analysis in real time high-resolution mass spectrometry and its capabilities in the identification of phenolic components from the green leaves of Bergenia crassifolia L.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Crawford, E. A.; Shikov, A. N.; Pozharitskaya, O. N.; Makarov, V. G.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(11): 1329–1337. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ID-CUBEPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_id-cube_2012,\n\ttitle = {{ID}-{CUBE} direct analysis in real time high-resolution mass spectrometry and its capabilities in the identification of phenolic components from the green leaves of {Bergenia} crassifolia {L}.},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6226},\n\tdoi = {10.1002/rcm.6226},\n\tabstract = {RATIONALE\nBergenia crassifolia is a plant widely used in herbal medicine. Its chemical composition has been little studied, and no studies using high-resolution mass spectrometry (HRMS) have been performed. Its phenolic components are of particular interest, due to the interest in such compounds in medicine and cosmetics. The ID-CUBE, a simplified Direct Analysis in Real Time (DART) ion source, suitable for the fast MS analysis of liquids without complex sample preparation, offers a new method of studying extracts of such plant. Coupling the ID-CUBE with a high-resolution mass spectrometer can provide identification of extract components. \nMETHODS\nMass spectral conditions were optimized for model solutions of the flavonoid naringenin and used for the identification of phenolic compounds in green leaves extracts of Bergenia crassifolia. OpenSpot sample cards with a metal grid surface were used for sample introduction into the ID-CUBE ion source on an Obitrap mass spectrometer. The samples were applied as 5-μL aliquots of the extract onto the metal grid of the card. Sample ionization was stimulated in the ion source within 20 s by applying an electric current to the metal grid to thermally desorb the analytes into the gas flow of metastable helium atoms from the ID-CUBE. \nRESULTS\nElemental compositions were assigned to abundant ions in the mass spectra of the extracts. The major phenolic components were confirmed by their [M–H]– ions. Thirty-six other marker ions were found, and elemental compositions were suggested for 30\\% of them, based on a search for compounds found in herbal extracts. \nCONCLUSIONS\nThe ID-CUBE–Orbitrap MS coupling allowed the rapid accurate mass determination of the phenolic components (and other compounds) in herbal extracts. Higher confidence in component identification could be provided by using additional structural elucidation methods, including tandem mass spectrometry (MS/MS), and this will be the focus of future studies. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {11},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Crawford, Elizabeth A. and Shikov, Alexander N. and Pozharitskaya, Olga N. and Makarov, Valery G. and Morlock, Gertrud E.},\n\tyear = {2012},\n\tpages = {1329--1337},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Bergenia crassifolia is a plant widely used in herbal medicine. Its chemical composition has been little studied, and no studies using high-resolution mass spectrometry (HRMS) have been performed. Its phenolic components are of particular interest, due to the interest in such compounds in medicine and cosmetics. The ID-CUBE, a simplified Direct Analysis in Real Time (DART) ion source, suitable for the fast MS analysis of liquids without complex sample preparation, offers a new method of studying extracts of such plant. Coupling the ID-CUBE with a high-resolution mass spectrometer can provide identification of extract components. METHODS Mass spectral conditions were optimized for model solutions of the flavonoid naringenin and used for the identification of phenolic compounds in green leaves extracts of Bergenia crassifolia. OpenSpot sample cards with a metal grid surface were used for sample introduction into the ID-CUBE ion source on an Obitrap mass spectrometer. The samples were applied as 5-μL aliquots of the extract onto the metal grid of the card. Sample ionization was stimulated in the ion source within 20 s by applying an electric current to the metal grid to thermally desorb the analytes into the gas flow of metastable helium atoms from the ID-CUBE. RESULTS Elemental compositions were assigned to abundant ions in the mass spectra of the extracts. The major phenolic components were confirmed by their [M–H]– ions. Thirty-six other marker ions were found, and elemental compositions were suggested for 30% of them, based on a search for compounds found in herbal extracts. CONCLUSIONS The ID-CUBE–Orbitrap MS coupling allowed the rapid accurate mass determination of the phenolic components (and other compounds) in herbal extracts. Higher confidence in component identification could be provided by using additional structural elucidation methods, including tandem mass spectrometry (MS/MS), and this will be the focus of future studies. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Ambient mass spectrometry for extractionless analyses of plants: Holy Grail, useful tool or hoax?.\n \n \n \n\n\n \n van Beek, T.; Shen, Y; Verweij, T; Villela, A; and Claassen, F\n\n\n \n\n\n\n Planta Med, 78(11): CL44. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{van_beek_ambient_2012,\n\ttitle = {Ambient mass spectrometry for extractionless analyses of plants: {Holy} {Grail}, useful tool or hoax?},\n\tvolume = {78},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0032-1320279},\n\tabstract = {Ambient mass spectrometry allows sampling on your benchtop at atmospheric pressure and often without any sample preparation. A short overview of ambient MS is given including ionisation mechanisms and new exciting developments such as leaf spray. Direct Analysis in Real Time (DART) and Desorption Electrospray Ionisation (DESI) applications from the author's group in the field of natural products chemistry are presented. In particular DART-MS is a versatile, easy to handle and fast technique allowing even quantitative measurements of secondary plant metabolites such as alkaloids, terpenes (Ginkgo, star anise) and flavonoids. Fig. A shows the DART-MS of toxic Japanese star anise with a clear peak for the neurotoxin anisatin at m/z 327.107. Chinese star anise lacks this peak (Fig. B). This result was obtained in seconds without any sample preparation. In combination with high-resolution MS it can be used for quality control, adulteration detection, metabolomics and screening of herbal products. It can also be hyphenated to HPLC or TLC. A comparison of DART and DESI-MS in terms of scope, figures of merit and limitations is made.},\n\tnumber = {11},\n\tjournal = {Planta Med},\n\tauthor = {van Beek, TA and Shen, Y and Verweij, T and Villela, A and Claassen, F},\n\tyear = {2012},\n\tpages = {CL44},\n}\n\n\n\n
\n
\n\n\n
\n Ambient mass spectrometry allows sampling on your benchtop at atmospheric pressure and often without any sample preparation. A short overview of ambient MS is given including ionisation mechanisms and new exciting developments such as leaf spray. Direct Analysis in Real Time (DART) and Desorption Electrospray Ionisation (DESI) applications from the author's group in the field of natural products chemistry are presented. In particular DART-MS is a versatile, easy to handle and fast technique allowing even quantitative measurements of secondary plant metabolites such as alkaloids, terpenes (Ginkgo, star anise) and flavonoids. Fig. A shows the DART-MS of toxic Japanese star anise with a clear peak for the neurotoxin anisatin at m/z 327.107. Chinese star anise lacks this peak (Fig. B). This result was obtained in seconds without any sample preparation. In combination with high-resolution MS it can be used for quality control, adulteration detection, metabolomics and screening of herbal products. It can also be hyphenated to HPLC or TLC. A comparison of DART and DESI-MS in terms of scope, figures of merit and limitations is made.\n
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\n \n\n \n \n \n \n \n The Principles and Applications of An Ambient Ionization Method–Direct Analysis in Real Time (DART).\n \n \n \n\n\n \n Zhang, J.; Huo, F.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Progress in Chemistry, 24(1): 101–109. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhang_principles_2012,\n\ttitle = {The {Principles} and {Applications} of {An} {Ambient} {Ionization} {Method}--{Direct} {Analysis} in {Real} {Time} ({DART})},\n\tvolume = {24},\n\tabstract = {The development of ionization approach has been focused on the ambient ionization methods in the past decade. DART was first reported by Cody and coworkers in 2005 and has been widely applied in the analysis of various samples including solids, liquids or gases. Helium or nitrogen is chosen as the working gas of DART. The working gas is activated by discharge needle and subsequently heated in the heating cell for the further sample ionization. The DART technology needs minimal or no sample pretreatmentand direct analysis can be carried out by holding sample in the localization between the outlet of DART and the entrance of mass spectrometer. This review presents the development, the ionization mechanism, and the major operation parameters of DART. And the applications in direct analysis of pheromones from live drosophila, screening of counterfeit drugs, identification of ingredient of inksand other samples are summarized. In the end, the technological limitations and development trends of DART are also discussed.},\n\tnumber = {1},\n\tjournal = {Progress in Chemistry},\n\tauthor = {Zhang, Jialing and Huo, Feifeng and Zhou, Zhigui and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {review},\n\tpages = {101--109},\n}\n\n\n\n
\n
\n\n\n
\n The development of ionization approach has been focused on the ambient ionization methods in the past decade. DART was first reported by Cody and coworkers in 2005 and has been widely applied in the analysis of various samples including solids, liquids or gases. Helium or nitrogen is chosen as the working gas of DART. The working gas is activated by discharge needle and subsequently heated in the heating cell for the further sample ionization. The DART technology needs minimal or no sample pretreatmentand direct analysis can be carried out by holding sample in the localization between the outlet of DART and the entrance of mass spectrometer. This review presents the development, the ionization mechanism, and the major operation parameters of DART. And the applications in direct analysis of pheromones from live drosophila, screening of counterfeit drugs, identification of ingredient of inksand other samples are summarized. In the end, the technological limitations and development trends of DART are also discussed.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry with collision-induced dissociation for structural analysis of synthetic cannabinoids.\n \n \n \n \n\n\n \n Musah, R. A.; Domin, M. A.; Cody, R. B.; Lesiak, A. D.; John Dane, A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(19): 2335–2342. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{musah_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry with collision-induced dissociation for structural analysis of synthetic cannabinoids},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6354},\n\tdoi = {10.1002/rcm.6354},\n\tabstract = {RATIONALE\n\nThe emergence of numerous cannabinoid designer drugs has been tied to large spikes in emergency room visits and overdoses. Identifying these substances is difficult for the following reasons: (1) the compounds are novel, closely structurally related, and do not usually test positive in drug screens; (2) novel analogs rapidly appear on the market; (3) no standard protocols exist for their identification; and (4) customized and extensive sample preparation/extraction and analysis procedures are required to demonstrate their presence. \n\nMETHODS\n\nDirect analysis in real time mass spectrometry (DART-MS) employing collision-induced dissociation (CID) provided confirmatory structural information that was useful in characterizing the various cannabinoid analogs, including those contained in mixtures. CID analysis illustrated that, although closely related compounds fragment in a similar fashion, their structural differences still resulted in multiple diagnostic peaks that provided additional confidence towards structural identification. \n\nRESULTS\n\nDART-MS spectra were acquired under CID conditions to rapidly differentiate among five synthetic cannabinoids contained within 'herbal' products purchased locally in New York State (USA). The spectra exhibited [M+H]+ ions and product ions unique to each cannabinoid that corresponded to major structural features. Five different cannabinoid analogs, alone and as mixtures of at least two cannabinoids, were identified in six herbal products and differentiated by their CID product ion patterns. \n\nCONCLUSIONS\n\nIllicit synthetic cannabinoid products continue to be readily available despite national and international restrictions. These products contain a wide range of active components, and, in many cases, multiple active ingredients. DART-MS allows rapid analyses of these synthetic cannabinoids based on the exact masses of their [M+H]+ ions and product ion peaks generated using CID. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {19},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Domin, Marek A. and Cody, Robert B. and Lesiak, Ashton D. and John Dane, A. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tpages = {2335--2342},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n RATIONALE The emergence of numerous cannabinoid designer drugs has been tied to large spikes in emergency room visits and overdoses. Identifying these substances is difficult for the following reasons: (1) the compounds are novel, closely structurally related, and do not usually test positive in drug screens; (2) novel analogs rapidly appear on the market; (3) no standard protocols exist for their identification; and (4) customized and extensive sample preparation/extraction and analysis procedures are required to demonstrate their presence. METHODS Direct analysis in real time mass spectrometry (DART-MS) employing collision-induced dissociation (CID) provided confirmatory structural information that was useful in characterizing the various cannabinoid analogs, including those contained in mixtures. CID analysis illustrated that, although closely related compounds fragment in a similar fashion, their structural differences still resulted in multiple diagnostic peaks that provided additional confidence towards structural identification. RESULTS DART-MS spectra were acquired under CID conditions to rapidly differentiate among five synthetic cannabinoids contained within 'herbal' products purchased locally in New York State (USA). The spectra exhibited [M+H]+ ions and product ions unique to each cannabinoid that corresponded to major structural features. Five different cannabinoid analogs, alone and as mixtures of at least two cannabinoids, were identified in six herbal products and differentiated by their CID product ion patterns. CONCLUSIONS Illicit synthetic cannabinoid products continue to be readily available despite national and international restrictions. These products contain a wide range of active components, and, in many cases, multiple active ingredients. DART-MS allows rapid analyses of these synthetic cannabinoids based on the exact masses of their [M+H]+ ions and product ion peaks generated using CID. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Rapid quality assessment of Radix Aconiti Preparata using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Zhu, H.; Wang, C.; Qi, Y.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytica Chimica Acta, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zhu_rapid_2012,\n\ttitle = {Rapid quality assessment of {Radix} {Aconiti} {Preparata} using direct analysis in real time ({DART}) mass spectrometry},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267012013451?v=s5},\n\tdoi = {10.1016/j.aca.2012.09.018},\n\tabstract = {This study presents a novel and rapid method to identify chemical markers for the quality control of Radix Aconiti Preparata, a world widely used traditional herbal medicine. In the method, the samples with a fast extraction procedure were analyzed using direct analysis in real time mass spectrometry (DART MS) combined with multivariate data analysis. At present, the quality assessment approach of Radix Aconiti Preparata was based on the two processing methods recorded in Chinese Pharmacopoeia for the purpose of reducing the toxicity of Radix Aconiti and ensuring its clinical therapeutic efficacy. In order to ensure the safety and effectivity in clinical use, the processing degree of Radix Aconiti should be well controlled and assessed. In the paper, hierarchical cluster analysis and principal component analysis were performed to evaluate the DART MS data of Radix Aconiti Preparata samples in different processing times. The results showed that the well processed Radix Aconiti Preparata, unqualified processed and the raw Radix Aconiti could be clustered reasonably corresponding to their constituents. The loading plot shows that the main chemical markers having the most influence on the discrimination amongst the qualified and unqualified samples were mainly some monoester diterpenoid aconitines and diester diterpenoid aconitines, i.e. benzoylmesaconine, hypaconitine, mesaconitine, neoline, benzoylhypaconine, benzoylaconine, fuziline, aconitine and 10-OH-mesaconitine. The established DART MS approach in combination with multivariate data analysis provides a very flexible and reliable method for quality assessment of toxic herbal medicine.},\n\tnumber = {0},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zhu, Hongbin and Wang, Chunyan and Qi, Yao and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tyear = {2012},\n\tkeywords = {Direct analysis in real time, Hierarchical clustering analysis, Principal component analysis, Radix Aconiti, Radix Aconiti Preparata},\n}\n\n\n\n
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\n This study presents a novel and rapid method to identify chemical markers for the quality control of Radix Aconiti Preparata, a world widely used traditional herbal medicine. In the method, the samples with a fast extraction procedure were analyzed using direct analysis in real time mass spectrometry (DART MS) combined with multivariate data analysis. At present, the quality assessment approach of Radix Aconiti Preparata was based on the two processing methods recorded in Chinese Pharmacopoeia for the purpose of reducing the toxicity of Radix Aconiti and ensuring its clinical therapeutic efficacy. In order to ensure the safety and effectivity in clinical use, the processing degree of Radix Aconiti should be well controlled and assessed. In the paper, hierarchical cluster analysis and principal component analysis were performed to evaluate the DART MS data of Radix Aconiti Preparata samples in different processing times. The results showed that the well processed Radix Aconiti Preparata, unqualified processed and the raw Radix Aconiti could be clustered reasonably corresponding to their constituents. The loading plot shows that the main chemical markers having the most influence on the discrimination amongst the qualified and unqualified samples were mainly some monoester diterpenoid aconitines and diester diterpenoid aconitines, i.e. benzoylmesaconine, hypaconitine, mesaconitine, neoline, benzoylhypaconine, benzoylaconine, fuziline, aconitine and 10-OH-mesaconitine. The established DART MS approach in combination with multivariate data analysis provides a very flexible and reliable method for quality assessment of toxic herbal medicine.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART) Mass Spectrometry of Adulterants in Herbal Slimming Products using a Tandem Quadrupole MS and Data Directed Analysis.\n \n \n \n\n\n \n Jones, M.; Twohig, M; Yu, K; Balogh, M; Tice, J; and Musselman, B\n\n\n \n\n\n\n Planta Med, 78(05): P_127. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{jones_direct_2012,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry} of {Adulterants} in {Herbal} {Slimming} {Products} using a {Tandem} {Quadrupole} {MS} and {Data} {Directed} {Analysis}},\n\tvolume = {78},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0032-1307635},\n\tabstract = {Several troubling studies show the adulteration of herbal slimming products with sibutramine is a common occurrence. Recent reports suggesting an increased risk of serious cardiovascular events (such as heart attack or stroke) in patients with known cardiovascular disease taking sibutramine have prompted the European Medicines Agency (EMA) to recommend that the use of sibutramine be suspended. The aim of this study is to develop specific methods for the rapid screening of herbal medicines for illicit adulteration with pharmaceutical drugs.\n\nHerbal slimming aids were purchased over the internet from store websites and auction sites. Samples were analysed using a direct analysis in real time (DART) interface and a tandem quadrupole mass spectrometer. Samples purchased over the internet were found to contain undeclared pharmaceutical substances with the main component being sibutramine, an appetite suppressant used in the treatment of obesity. In addition to sibutramine, phenolphthalein and sildenafil were also identified none of which were declared on the box or enclosed information.\n\nDuring our study we were able to identify nine samples that had been contaminated by sibutramine. DART with data directed analysis of the sample using a data directed high low collision energy experiment provides simultaneous intact molecular ion and fragmentation information, while allowing samples to be analysed very rapidly and without the need for complex sample preparation or chromatography. The testing of unlicensed herbal medicines and herbal dietary supplements are vital functions due to the possibility of illegal adulteration and/or contamination and the potential that exists for adverse health effects to unsuspecting consumers.},\n\tnumber = {05},\n\tjournal = {Planta Med},\n\tauthor = {Jones, MD and Twohig, M and Yu, K and Balogh, M and Tice, J and Musselman, B},\n\tyear = {2012},\n\tpages = {P\\_127},\n}\n\n\n\n
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\n Several troubling studies show the adulteration of herbal slimming products with sibutramine is a common occurrence. Recent reports suggesting an increased risk of serious cardiovascular events (such as heart attack or stroke) in patients with known cardiovascular disease taking sibutramine have prompted the European Medicines Agency (EMA) to recommend that the use of sibutramine be suspended. The aim of this study is to develop specific methods for the rapid screening of herbal medicines for illicit adulteration with pharmaceutical drugs. Herbal slimming aids were purchased over the internet from store websites and auction sites. Samples were analysed using a direct analysis in real time (DART) interface and a tandem quadrupole mass spectrometer. Samples purchased over the internet were found to contain undeclared pharmaceutical substances with the main component being sibutramine, an appetite suppressant used in the treatment of obesity. In addition to sibutramine, phenolphthalein and sildenafil were also identified none of which were declared on the box or enclosed information. During our study we were able to identify nine samples that had been contaminated by sibutramine. DART with data directed analysis of the sample using a data directed high low collision energy experiment provides simultaneous intact molecular ion and fragmentation information, while allowing samples to be analysed very rapidly and without the need for complex sample preparation or chromatography. The testing of unlicensed herbal medicines and herbal dietary supplements are vital functions due to the possibility of illegal adulteration and/or contamination and the potential that exists for adverse health effects to unsuspecting consumers.\n
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\n \n\n \n \n \n \n \n \n Evaluating a direct swabbing method for screening pesticides on fruit and vegetable surfaces using direct analysis in real time (DART) coupled to an Exactive benchtop orbitrap mass spectrometer.\n \n \n \n \n\n\n \n Crawford, E.; and Musselman, B.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{crawford_evaluating_2012,\n\ttitle = {Evaluating a direct swabbing method for screening pesticides on fruit and vegetable surfaces using direct analysis in real time ({DART}) coupled to an {Exactive} benchtop orbitrap mass spectrometer},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5853-6},\n\tdoi = {10.1007/s00216-012-5853-6},\n\tabstract = {Rapid screening of pesticides present on the surfaces of fruits and vegetables has been facilitated by using a Direct Analysis in Real Time (DART®) open air surface desorption ionization source coupled to an Exactive® high-resolution accurate mass benchtop orbitrap mass spectrometer. The use of cotton and polyester cleaning swabs to collect and retain pesticides for subsequent open air desorption ionization is demonstrated by sampling the surface of various produce to which solutions of pesticides have been applied at levels 10 and 100 times below the tolerance levels established by the United States Environmental Protection Agency (US EPA). Samples analyzed include cherry tomatoes, oranges, peaches and carrots each chosen for their surface characteristics which include: smooth, pitted, fuzzy, and rough respectively. Results from the direct analysis of fungicides on store-bought oranges are also described. In all cases, the swabs were introduced directly into the heated ionizing gas of the DART source resulting in production of protonated pesticide molecules within seconds of sampling. Operation of the orbitrap mass spectrometer at 25,000 full-width half maximum resolution was sufficient to generate high-quality accurate mass data. Stable external mass calibration eliminated the need for addition of standards typically required for mass calibration, thus allowing multiple analyses to be completed without instrument recalibration.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Crawford, Elizabeth and Musselman, Brian},\n\tyear = {2012},\n\tkeywords = {Chemistry and Materials Science},\n\tpages = {1--6},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n Rapid screening of pesticides present on the surfaces of fruits and vegetables has been facilitated by using a Direct Analysis in Real Time (DART®) open air surface desorption ionization source coupled to an Exactive® high-resolution accurate mass benchtop orbitrap mass spectrometer. The use of cotton and polyester cleaning swabs to collect and retain pesticides for subsequent open air desorption ionization is demonstrated by sampling the surface of various produce to which solutions of pesticides have been applied at levels 10 and 100 times below the tolerance levels established by the United States Environmental Protection Agency (US EPA). Samples analyzed include cherry tomatoes, oranges, peaches and carrots each chosen for their surface characteristics which include: smooth, pitted, fuzzy, and rough respectively. Results from the direct analysis of fungicides on store-bought oranges are also described. In all cases, the swabs were introduced directly into the heated ionizing gas of the DART source resulting in production of protonated pesticide molecules within seconds of sampling. Operation of the orbitrap mass spectrometer at 25,000 full-width half maximum resolution was sufficient to generate high-quality accurate mass data. Stable external mass calibration eliminated the need for addition of standards typically required for mass calibration, thus allowing multiple analyses to be completed without instrument recalibration.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of synthetic cannabinoids in herbal samples via direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Musah, R. A.; Domin, M. A.; Walling, M. A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1109–1114. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{musah_rapid_2012,\n\ttitle = {Rapid identification of synthetic cannabinoids in herbal samples via direct analysis in real time mass spectrometry},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6205},\n\tdoi = {10.1002/rcm.6205},\n\tabstract = {RATIONALE\nDozens of synthetic cannabinoid analogs purposefully meant to circumvent legal restrictions associated with controlled substances continue to be manufactured and promoted as producing 'legal highs'. These designer drugs are difficult to identify in conventional drug screens not only because routine protocols have not been developed for their detection, but also because their association with complex plant matrices during manufacture generally requires labor-intensive extraction and sample preparation for analysis. To address this new and important challenge in forensic chemistry, Direct Analysis in Real Time Mass Spectrometry (DART-MS) is applied to the analysis of these designer drugs. \nMETHODS\nDART-MS was employed to sample synthetic cannabinoids directly on botanical matrices. The ambient ionization method associated with DART-MS permitted the analysis of solid herbal samples directly, without the need for extraction or sample preparation. The high mass resolution time-of-flight analyzer allowed identification of these substances despite their presence within a complex matrix and enabled differentiation of closely related analogs. \nRESULTS\nDART-MS was performed to rapidly identify the synthetic cannabinoids AM-251 and JWH-015. For each cannabinoid, three hundred micrograms (300 µg) of material was easily detected within an excess of background matrix by mass. \nCONCLUSIONS\nNew variations of herbal blends containing a wide range of base components and laced with synthetic cannabinoids are being produced, making their presence difficult to track by conventional methods. DART-MS permits rapid identification of trace synthetic cannabinoids within complex biological matrices, with excellent sensitivity and specificity compared with standard methods. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Domin, Marek A. and Walling, Maureen A. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1109--1114},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Dozens of synthetic cannabinoid analogs purposefully meant to circumvent legal restrictions associated with controlled substances continue to be manufactured and promoted as producing 'legal highs'. These designer drugs are difficult to identify in conventional drug screens not only because routine protocols have not been developed for their detection, but also because their association with complex plant matrices during manufacture generally requires labor-intensive extraction and sample preparation for analysis. To address this new and important challenge in forensic chemistry, Direct Analysis in Real Time Mass Spectrometry (DART-MS) is applied to the analysis of these designer drugs. METHODS DART-MS was employed to sample synthetic cannabinoids directly on botanical matrices. The ambient ionization method associated with DART-MS permitted the analysis of solid herbal samples directly, without the need for extraction or sample preparation. The high mass resolution time-of-flight analyzer allowed identification of these substances despite their presence within a complex matrix and enabled differentiation of closely related analogs. RESULTS DART-MS was performed to rapidly identify the synthetic cannabinoids AM-251 and JWH-015. For each cannabinoid, three hundred micrograms (300 µg) of material was easily detected within an excess of background matrix by mass. CONCLUSIONS New variations of herbal blends containing a wide range of base components and laced with synthetic cannabinoids are being produced, making their presence difficult to track by conventional methods. DART-MS permits rapid identification of trace synthetic cannabinoids within complex biological matrices, with excellent sensitivity and specificity compared with standard methods. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Reusable Solid Phase Microextraction Coating for Direct Immersion Whole Blood Analysis and Extracted Blood Spot Sampling Coupled with LC-MS/MS and DART-MS/MS.\n \n \n \n \n\n\n \n Mirnaghi, F.; and Pawliszyn, J.\n\n\n \n\n\n\n Anal. Chem.. August 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ReusablePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{mirnaghi_reusable_2012,\n\ttitle = {Reusable {Solid} {Phase} {Microextraction} {Coating} for {Direct} {Immersion} {Whole} {Blood} {Analysis} and {Extracted} {Blood} {Spot} {Sampling} {Coupled} with {LC}-{MS}/{MS} and {DART}-{MS}/{MS}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3018229},\n\tdoi = {10.1021/ac3018229},\n\tabstract = {Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12\\% using external calibration and 4\\% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.\nThree different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12\\% using external calibration and 4\\% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.},\n\tjournal = {Anal. Chem.},\n\tauthor = {Mirnaghi, Fatemeh and Pawliszyn, Janusz},\n\tmonth = aug,\n\tyear = {2012},\n}\n\n\n\n
\n
\n\n\n
\n Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12% using external calibration and 4% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam. Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12% using external calibration and 4% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.\n
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\n \n\n \n \n \n \n \n \n Direct Monitoring of the Role Played by a Stabilizer in a Solid Sample of Polymer Using Direct Analysis in Real Time Mass Spectrometry: The Case of Irgafos 168 in Polyethylene.\n \n \n \n \n\n\n \n Fouyer, K.; Lavastre, O.; and Rondeau, D.\n\n\n \n\n\n\n Analytical Chemistry. September 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fouyer_direct_2012,\n\ttitle = {Direct {Monitoring} of the {Role} {Played} by a {Stabilizer} in a {Solid} {Sample} of {Polymer} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}: {The} {Case} of {Irgafos} 168 in {Polyethylene}},\n\tissn = {0003-2700},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac301759q},\n\tdoi = {10.1021/ac301759q},\n\tabstract = {Direct analysis in real time (DART) ionization method is used with a time-of-flight (TOF) mass spectrometer to perform the analysis of industrial polyethylene pellets free of additives or containing Irgafos 168 as stabilizing agent without any sampling step. The developed analytical method uses the [M + H]+ ion of the bis(2-ethylhexyl) phthalate (DEHP) for performing the exact mass measurements of the stabilizer and polymer ions using the mass drift compensation procedure available on the AccuTOF mass spectrometer. DEHP is in fact a plastic contaminant always presents on the mass spectra of the analyzed samples. The mass spectra allow one to characterize either the ions of the polyethylene and that of the Irgafos. The analysis of thermally treated samples show that the polymer does not undergo any degradation when the Irgafos is present in the bulk of the material, and the role played by the Irgafos 168 is that of an oxygen trapping agent. Under UV exposure, the DART-TOF MS analyses performed on the exposed polyethylene pellets shows that the Irgafos 168 behavior toward the UV radiations is different since this one reacts by cleavages of its P?O bonds to prevent the degradation of the polymer. These interpretations are supported by all the elemental formula determination of the detected ions.},\n\turldate = {2012-10-10},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Fouyer, Kevin and Lavastre, Olivier and Rondeau, David},\n\tmonth = sep,\n\tyear = {2012},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) ionization method is used with a time-of-flight (TOF) mass spectrometer to perform the analysis of industrial polyethylene pellets free of additives or containing Irgafos 168 as stabilizing agent without any sampling step. The developed analytical method uses the [M + H]+ ion of the bis(2-ethylhexyl) phthalate (DEHP) for performing the exact mass measurements of the stabilizer and polymer ions using the mass drift compensation procedure available on the AccuTOF mass spectrometer. DEHP is in fact a plastic contaminant always presents on the mass spectra of the analyzed samples. The mass spectra allow one to characterize either the ions of the polyethylene and that of the Irgafos. The analysis of thermally treated samples show that the polymer does not undergo any degradation when the Irgafos is present in the bulk of the material, and the role played by the Irgafos 168 is that of an oxygen trapping agent. Under UV exposure, the DART-TOF MS analyses performed on the exposed polyethylene pellets shows that the Irgafos 168 behavior toward the UV radiations is different since this one reacts by cleavages of its P?O bonds to prevent the degradation of the polymer. These interpretations are supported by all the elemental formula determination of the detected ions.\n
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\n \n\n \n \n \n \n \n \n DART MS based chemical profiling for therapeutic potential of Piper betle landraces.\n \n \n \n \n\n\n \n Bajpai, V; Pandey, R; Negi, M.; Kumar, N; and Kumar, B\n\n\n \n\n\n\n Natural product communications, 7(12): 1627–1629. December 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{bajpai_dart_2012,\n\ttitle = {{DART} {MS} based chemical profiling for therapeutic potential of {Piper} betle landraces.},\n\tvolume = {7},\n\turl = {http://europepmc.org/abstract/MED/23413569},\n\tabstract = {Piper betle Linn. leaves are traditionally used as a folk medicine in India and other Asiatic countries. Twenty-one P. betle landraces were analyzed using a Direct Analysis in Real Time (DART) mass spectral technique and evaluated on the basis of molecules detected in the leaves. Clustering of landraces based on three well known biologically active phenols (m/z 151,165,193) showed two broad groups with high and low phenol contents suggesting differences in their therapeutic potential. Findings of this study could be useful in rapid screening of the landraces for determining their medicinal potential and optimum utilization of the bioresource.},\n\tnumber = {12},\n\tjournal = {Natural product communications},\n\tauthor = {Bajpai, V and Pandey, R and Negi, MP and Kumar, N and Kumar, B},\n\tmonth = dec,\n\tyear = {2012},\n\tkeywords = {Calibration, Computer Systems, Drug Evaluation, Preclinical, Oils, Volatile, Phenols, Piper betle, Plant Leaves, Software, mass spectrometry},\n\tpages = {1627--1629},\n}\n\n\n\n
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\n Piper betle Linn. leaves are traditionally used as a folk medicine in India and other Asiatic countries. Twenty-one P. betle landraces were analyzed using a Direct Analysis in Real Time (DART) mass spectral technique and evaluated on the basis of molecules detected in the leaves. Clustering of landraces based on three well known biologically active phenols (m/z 151,165,193) showed two broad groups with high and low phenol contents suggesting differences in their therapeutic potential. Findings of this study could be useful in rapid screening of the landraces for determining their medicinal potential and optimum utilization of the bioresource.\n
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\n \n\n \n \n \n \n \n \n Study of the distribution profile of piperidine alkaloids in various parts of Prosopis juliflora by the application of Direct Analysis in Real Time Mass Spectrometry (DART-MS).\n \n \n \n \n\n\n \n Singh, S.; and Verma, S.\n\n\n \n\n\n\n Natural Products and Bioprospecting,1–4. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"StudyPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{singh_study_2012,\n\ttitle = {Study of the distribution profile of piperidine alkaloids in various parts of {Prosopis} juliflora by the application of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS})},\n\turl = {http://dx.doi.org/10.1007/s13659-012-0069-1},\n\tabstract = {Direct Analysis in Real Time Mass Spectrometry (DART-MS) was applied to identify and study the distribution profile of piperidine alkaloids in different parts of Prosopis juliflora, without isolation and separation of the compounds by standard chromatographic techniques. With the help of DART-MS, chemical fingerprint of raw plant parts were generated, which revealed the presence of piperidine alkaloids in leaf, pod and flower. A comparative study of the distribution pattern, showed variation in the presence and distribution of these alkaloids in various parts of P. juliflora. The leaves and pod displayed the largest alkaloid pattern with a total of 12 different alkaloids in each part, whereas only 4 alkaloids were present in flower. Alkaloids: julifloridine, prosopine, prosopinine and prosafrinine were ubiquitously distributed in all the alkaloid rich plant parts. Juliprosopine was pre-eminet alkaloid in leaf, whereas pod and flower displayed copious amounts of julifloridine.},\n\tjournal = {Natural Products and Bioprospecting},\n\tauthor = {Singh, Shachi and Verma, SanjayKumar},\n\tyear = {2012},\n\tkeywords = {julifloridine},\n\tpages = {1--4},\n}\n\n\n\n
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\n Direct Analysis in Real Time Mass Spectrometry (DART-MS) was applied to identify and study the distribution profile of piperidine alkaloids in different parts of Prosopis juliflora, without isolation and separation of the compounds by standard chromatographic techniques. With the help of DART-MS, chemical fingerprint of raw plant parts were generated, which revealed the presence of piperidine alkaloids in leaf, pod and flower. A comparative study of the distribution pattern, showed variation in the presence and distribution of these alkaloids in various parts of P. juliflora. The leaves and pod displayed the largest alkaloid pattern with a total of 12 different alkaloids in each part, whereas only 4 alkaloids were present in flower. Alkaloids: julifloridine, prosopine, prosopinine and prosafrinine were ubiquitously distributed in all the alkaloid rich plant parts. Juliprosopine was pre-eminet alkaloid in leaf, whereas pod and flower displayed copious amounts of julifloridine.\n
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\n \n\n \n \n \n \n \n \n Application of Direct Analysis in Real Time Mass Spectrometry (DART-MS) for Identification of an Epiphytic Cyanobacterium, Nostoc Sp.\n \n \n \n \n\n\n \n Singh, S.; and Verma, S. K.\n\n\n \n\n\n\n Analytical Letters, 45(17): 2562–2568. May 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{singh_application_2012,\n\ttitle = {Application of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) for {Identification} of an {Epiphytic} {Cyanobacterium}, {Nostoc} {Sp}.},\n\tvolume = {45},\n\tissn = {0003-2719},\n\turl = {http://dx.doi.org/10.1080/00032719.2012.694940},\n\tdoi = {10.1080/00032719.2012.694940},\n\tabstract = {Cyanobacteria, a diverse group of bacteria are identified entirely on the basis of morphological characters, which can frequently lead to incorrect results; therefore, the present study reports a new approach for identification of an organism based on DART technique. Direct Analysis in Real Time Mass Spectrometry (DART-MS) was used to identify a cyanobacterium, isolated from the leaf surface, on the basis of characteristic chemical compounds present in the strain. A chemical fingerprint was generated and peaks obtained were found to be similar to the masses of the compounds reported for Nostoc sp.},\n\tnumber = {17},\n\turldate = {2012-11-28},\n\tjournal = {Analytical Letters},\n\tauthor = {Singh, Shachi and Verma, S. K.},\n\tmonth = may,\n\tyear = {2012},\n\tpages = {2562--2568},\n}\n\n\n\n
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\n Cyanobacteria, a diverse group of bacteria are identified entirely on the basis of morphological characters, which can frequently lead to incorrect results; therefore, the present study reports a new approach for identification of an organism based on DART technique. Direct Analysis in Real Time Mass Spectrometry (DART-MS) was used to identify a cyanobacterium, isolated from the leaf surface, on the basis of characteristic chemical compounds present in the strain. A chemical fingerprint was generated and peaks obtained were found to be similar to the masses of the compounds reported for Nostoc sp.\n
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\n \n\n \n \n \n \n \n \n Online Coupling of Capillary Electrophoresis with Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Chang, C.; Xu, G.; Bai, Y.; Zhang, C.; Li, X.; Li, M.; Liu, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical Chemistry. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"OnlinePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{chang_online_2012,\n\ttitle = {Online {Coupling} of {Capillary} {Electrophoresis} with {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac303450v},\n\tdoi = {10.1021/ac303450v},\n\tabstract = {The online coupling of capillary electrophoresis with ambient direct analysis in real time mass spectrometry (DART-MS) was realized by a coaxial tip interface. The analytes eluted from CE were directly ionized by the metastable helium flux produced by DART and transferred into MS for the detection, with which the online separation and simultaneous detection were achieved. The CE-DART-MS can tolerate higher concentrations of detergents and salts than traditional CE-ESI-MS and avoided the difficulties of collecting CE effluent and cleaning the interface, which simplified the experimental procedures and shortened the analysis time. The performance of the technique was successfully verified by capillary zone electrophoresis (CZE) and micellar electrokinetic chromatography (MEKC) using a mixture of 4-aminoantipyrine, zolmitriptan and quinine. This online technique showed good repeatability with the RSDs (n=5) of 0.56{\\textasciitilde}1.23\\% for the retention times and 2.01{\\textasciitilde}7.41\\% for the peak areas. The quantitative analysis of 4-aminoantipyrine was accomplished in the range of 0.01{\\textasciitilde}0.50 mg/mL with the linear correlation coefficient of 0.9995 and limit of detection of 14.7 fmol. Compared with CE-ESI-MS, the ion suppression effects of non-volatile salts and detergents were efficiently minimized. The signal intensity remained constant when the concentrations reached 100 mM for sodium borate and 30 mM for SDS (in 30 mM sodium borate buffer). In addition, the proposed method was successfully applied to the detection of the endogenous caffeine in the Chinese white tea.},\n\turldate = {2012-12-04},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Chang, Cuilan and Xu, Gege and Bai, Yu and Zhang, Chengsen and Li, Xianjiang and Li, Min and Liu, Yi and Liu, Huwei},\n\tmonth = nov,\n\tyear = {2012},\n}\n\n\n\n
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\n The online coupling of capillary electrophoresis with ambient direct analysis in real time mass spectrometry (DART-MS) was realized by a coaxial tip interface. The analytes eluted from CE were directly ionized by the metastable helium flux produced by DART and transferred into MS for the detection, with which the online separation and simultaneous detection were achieved. The CE-DART-MS can tolerate higher concentrations of detergents and salts than traditional CE-ESI-MS and avoided the difficulties of collecting CE effluent and cleaning the interface, which simplified the experimental procedures and shortened the analysis time. The performance of the technique was successfully verified by capillary zone electrophoresis (CZE) and micellar electrokinetic chromatography (MEKC) using a mixture of 4-aminoantipyrine, zolmitriptan and quinine. This online technique showed good repeatability with the RSDs (n=5) of 0.56~1.23% for the retention times and 2.01~7.41% for the peak areas. The quantitative analysis of 4-aminoantipyrine was accomplished in the range of 0.01~0.50 mg/mL with the linear correlation coefficient of 0.9995 and limit of detection of 14.7 fmol. Compared with CE-ESI-MS, the ion suppression effects of non-volatile salts and detergents were efficiently minimized. The signal intensity remained constant when the concentrations reached 100 mM for sodium borate and 30 mM for SDS (in 30 mM sodium borate buffer). In addition, the proposed method was successfully applied to the detection of the endogenous caffeine in the Chinese white tea.\n
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\n \n\n \n \n \n \n \n Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization.\n \n \n \n\n\n \n He, X.; Xie, Z.; Gao, Y.; Hu, W.; Guo, L.; Jiang, L.; and Lu, Y.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 67: 64–73. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{he_mass_2012,\n\ttitle = {Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization},\n\tvolume = {67},\n\tabstract = {Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {He, X.N. and Xie, Z.Q. and Gao, Y. and Hu, W. and Guo, L.B. and Jiang, L. and Lu, Y.F.},\n\tyear = {2012},\n\tkeywords = {LI-TOFMS; DART; Laser-induced plasma; LIBS; AccuTOF},\n\tpages = {64--73},\n}\n\n\n\n
\n
\n\n\n
\n Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.\n
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\n \n\n \n \n \n \n \n Where is the next high? - Rapid identification of synthetic cannabinoids in \"Spice\" products.\n \n \n \n\n\n \n Huang, L.; Veltri, M.; Cody, R. B.; Dane, A. J.; Rivera, A.; Marino, M. A.; and Kim, W. J.\n\n\n \n\n\n\n Forensic Science International, submitted. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{huang_where_2012,\n\ttitle = {Where is the next high? - {Rapid} identification of synthetic cannabinoids in "{Spice}" products},\n\tvolume = {submitted},\n\tjournal = {Forensic Science International},\n\tauthor = {Huang, Ling and Veltri, Mercurio and Cody, Robert B. and Dane, A. John and Rivera, Amanda and Marino, Michael A. and Kim, Woen J.},\n\tyear = {2012},\n}\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n \n Identification, extraction and quantification of the synthetic cannabinoid JWH-018 from commercially available herbal marijuana alternatives.\n \n \n \n \n\n\n \n Dunham, S. J.; Hooker, P. D.; and Hyde, R. M.\n\n\n \n\n\n\n Forensic science international, 223(1): 241–244. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"Identification,Paper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{dunham_identification_2012,\n\ttitle = {Identification, extraction and quantification of the synthetic cannabinoid {JWH}-018 from commercially available herbal marijuana alternatives},\n\tvolume = {223},\n\tissn = {0379-0738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073812004471?showall=true},\n\tabstract = {In this work, methods for the rapid identification, extraction, and quantification of the synthetic cannabinoid, JWH-018, from commercially available “Spice” (a herbal marijuana alternative) are presented. JWH-018 was identified in three different products using time-of-flight (TOF) mass spectrometry coupled with a direct analysis in real time (DART) ionization source, a process that was completed in less then five minutes and required no sample preparation. Extraction of the JWH-018 from the spice samples using an automated accelerated solvent extraction (ASE) instrument provided clean extracts with few plant pigments. Subsequent quantification by isocratic HPLC produced the following results (mg JWH-018/g plant material): Weekend Warrior brand “Hash”: 90 (±3\\%)mg/g, Weekend Warrior brand “Leaf”: 29 (±6\\%)mg/g, TrainWreck Hayze brand: 28 (±4\\%)mg/g. Vegetative samples spiked with JWH-018 gave a recovery of 97\\% (±1\\%).},\n\tnumber = {1},\n\tjournal = {Forensic science international},\n\tauthor = {Dunham, Sage J.B. and Hooker, Paul D. and Hyde, Robyn M.},\n\tmonth = nov,\n\tyear = {2012},\n\tkeywords = {Accelerated solvent extraction, DART–mass spectrometry, Herbal marijuana alternative, JWH-018, Spice, Synthetic marijuana},\n\tpages = {241--244},\n}\n\n\n\n
\n
\n\n\n
\n In this work, methods for the rapid identification, extraction, and quantification of the synthetic cannabinoid, JWH-018, from commercially available “Spice” (a herbal marijuana alternative) are presented. JWH-018 was identified in three different products using time-of-flight (TOF) mass spectrometry coupled with a direct analysis in real time (DART) ionization source, a process that was completed in less then five minutes and required no sample preparation. Extraction of the JWH-018 from the spice samples using an automated accelerated solvent extraction (ASE) instrument provided clean extracts with few plant pigments. Subsequent quantification by isocratic HPLC produced the following results (mg JWH-018/g plant material): Weekend Warrior brand “Hash”: 90 (±3%)mg/g, Weekend Warrior brand “Leaf”: 29 (±6%)mg/g, TrainWreck Hayze brand: 28 (±4%)mg/g. Vegetative samples spiked with JWH-018 gave a recovery of 97% (±1%).\n
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\n \n\n \n \n \n \n \n The Principles and Applications of An Ambient Ionization Method–Direct Analysis in Real Time (DART).\n \n \n \n\n\n \n Zhang, J.; Huo, F.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Progress in Chemistry, 24(1): 101–109. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhang_principles_2012,\n\ttitle = {The {Principles} and {Applications} of {An} {Ambient} {Ionization} {Method}--{Direct} {Analysis} in {Real} {Time} ({DART})},\n\tvolume = {24},\n\tabstract = {The development of ionization approach has been focused on the ambient ionization methods in the past decade. DART was first reported by Cody and coworkers in 2005 and has been widely applied in the analysis of various samples including solids, liquids or gases. Helium or nitrogen is chosen as the working gas of DART. The working gas is activated by discharge needle and subsequently heated in the heating cell for the further sample ionization. The DART technology needs minimal or no sample pretreatmentand direct analysis can be carried out by holding sample in the localization between the outlet of DART and the entrance of mass spectrometer. This review presents the development, the ionization mechanism, and the major operation parameters of DART. And the applications in direct analysis of pheromones from live drosophila, screening of counterfeit drugs, identification of ingredient of inksand other samples are summarized. In the end, the technological limitations and development trends of DART are also discussed.},\n\tnumber = {1},\n\tjournal = {Progress in Chemistry},\n\tauthor = {Zhang, Jialing and Huo, Feifeng and Zhou, Zhigui and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {review},\n\tpages = {101--109},\n}\n\n\n\n
\n
\n\n\n
\n The development of ionization approach has been focused on the ambient ionization methods in the past decade. DART was first reported by Cody and coworkers in 2005 and has been widely applied in the analysis of various samples including solids, liquids or gases. Helium or nitrogen is chosen as the working gas of DART. The working gas is activated by discharge needle and subsequently heated in the heating cell for the further sample ionization. The DART technology needs minimal or no sample pretreatmentand direct analysis can be carried out by holding sample in the localization between the outlet of DART and the entrance of mass spectrometer. This review presents the development, the ionization mechanism, and the major operation parameters of DART. And the applications in direct analysis of pheromones from live drosophila, screening of counterfeit drugs, identification of ingredient of inksand other samples are summarized. In the end, the technological limitations and development trends of DART are also discussed.\n
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\n \n\n \n \n \n \n \n \n Biomarkers of Whale Shark Health: A Metabolomic Approach.\n \n \n \n \n\n\n \n Dove, A. D. M.; Leisen, J.; Zhou, M.; Byrne, J. J.; Lim-Hing, K.; Webb, H. D.; Gelbaum, L.; Viant, M. R.; Kubanek, J.; and Fernández, F. M.\n\n\n \n\n\n\n PLoS ONE, 7(11): e49379. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"BiomarkersPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{dove_biomarkers_2012,\n\ttitle = {Biomarkers of {Whale} {Shark} {Health}: {A} {Metabolomic} {Approach}},\n\tvolume = {7},\n\turl = {http://dx.doi.org/10.1371%2Fjournal.pone.0049379},\n\tdoi = {10.1371/journal.pone.0049379},\n\tabstract = {In a search for biomarkers of health in whale sharks and as exploration of metabolomics as a modern tool for understanding animal physiology, the metabolite composition of serum in six whale sharks (Rhincodon typus) from an aquarium collection was explored using 1H nuclear magnetic resonance (NMR) spectroscopy and direct analysis in real time (DART) mass spectrometry (MS). Principal components analysis (PCA) of spectral data showed that individual animals could be resolved based on the metabolite composition of their serum and that two unhealthy individuals could be discriminated from the remaining healthy animals. The major difference between healthy and unhealthy individuals was the concentration of homarine, here reported for the first time in an elasmobranch, which was present at substantially lower concentrations in unhealthy whale sharks, suggesting that this metabolite may be a useful biomarker of health status in this species. The function(s) of homarine in sharks remain uncertain but it likely plays a significant role as an osmolyte. The presence of trimethylamine oxide (TMAO), another well-known protective osmolyte of elasmobranchs, at 0.1–0.3 mol L−1 was also confirmed using both NMR and MS. Twenty-three additional potential biomarkers were identified based on significant differences in the frequency of their occurrence between samples from healthy and unhealthy animals, as detected by DART MS. Overall, NMR and MS provided complementary data that showed that metabolomics is a useful approach for biomarker prospecting in poorly studied species like elasmobranchs.},\n\tnumber = {11},\n\tjournal = {PLoS ONE},\n\tauthor = {Dove, Alistair D. M. and Leisen, Johannes and Zhou, Manshui and Byrne, Jonathan J. and Lim-Hing, Krista and Webb, Harry D. and Gelbaum, Leslie and Viant, Mark R. and Kubanek, Julia and Fernández, Facundo M.},\n\tmonth = nov,\n\tyear = {2012},\n\tpages = {e49379},\n}\n\n\n\n
\n
\n\n\n
\n In a search for biomarkers of health in whale sharks and as exploration of metabolomics as a modern tool for understanding animal physiology, the metabolite composition of serum in six whale sharks (Rhincodon typus) from an aquarium collection was explored using 1H nuclear magnetic resonance (NMR) spectroscopy and direct analysis in real time (DART) mass spectrometry (MS). Principal components analysis (PCA) of spectral data showed that individual animals could be resolved based on the metabolite composition of their serum and that two unhealthy individuals could be discriminated from the remaining healthy animals. The major difference between healthy and unhealthy individuals was the concentration of homarine, here reported for the first time in an elasmobranch, which was present at substantially lower concentrations in unhealthy whale sharks, suggesting that this metabolite may be a useful biomarker of health status in this species. The function(s) of homarine in sharks remain uncertain but it likely plays a significant role as an osmolyte. The presence of trimethylamine oxide (TMAO), another well-known protective osmolyte of elasmobranchs, at 0.1–0.3 mol L−1 was also confirmed using both NMR and MS. Twenty-three additional potential biomarkers were identified based on significant differences in the frequency of their occurrence between samples from healthy and unhealthy animals, as detected by DART MS. Overall, NMR and MS provided complementary data that showed that metabolomics is a useful approach for biomarker prospecting in poorly studied species like elasmobranchs.\n
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\n \n\n \n \n \n \n \n Confined direct analysis in real time ion source and its applications in analysis of volatile organic compounds of Citrus limon (lemon) and Allium cepa (onion).\n \n \n \n\n\n \n Li, Y.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(10): 1194–1202. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{li_confined_2012,\n\ttitle = {Confined direct analysis in real time ion source and its applications in analysis of volatile organic compounds of {Citrus} limon (lemon) and {Allium} cepa (onion)},\n\tvolume = {26},\n\tdoi = {10.1002/rcm.6217},\n\tabstract = {The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique that enables efficient ionization of gases, liquids and solids with high throughput. A major limit to its wider application in the analysis of gases is its poor detection sensitivity caused by open-air sampling. In this study, a confined interface between the DART ion source outlet and mass spectrometer sampling orifice was developed, where the plasma generated by the atmospheric pressure glow discharge collides and ionizes gas-phase molecules in a Tee-shaped flow tube instead of in open air. It leads to significant increase of collision reaction probability between high energy metastable molecules and analytes. The experimental results show that the ionization efficiency was increased at least by two orders of magnitude. This technique was then applied in the real time analysis of volatile organic compounds (VOCs) of Citrus Limon (lemon) and wounded Allium Cepa (onion). The confined DART ion source was proved to be a powerful tool for the studies of plant metabolomics.},\n\tnumber = {10},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Li, Y.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1194--1202},\n}\n\n\n\n
\n
\n\n\n
\n The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique that enables efficient ionization of gases, liquids and solids with high throughput. A major limit to its wider application in the analysis of gases is its poor detection sensitivity caused by open-air sampling. In this study, a confined interface between the DART ion source outlet and mass spectrometer sampling orifice was developed, where the plasma generated by the atmospheric pressure glow discharge collides and ionizes gas-phase molecules in a Tee-shaped flow tube instead of in open air. It leads to significant increase of collision reaction probability between high energy metastable molecules and analytes. The experimental results show that the ionization efficiency was increased at least by two orders of magnitude. This technique was then applied in the real time analysis of volatile organic compounds (VOCs) of Citrus Limon (lemon) and wounded Allium Cepa (onion). The confined DART ion source was proved to be a powerful tool for the studies of plant metabolomics.\n
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\n \n\n \n \n \n \n \n \n Sensitivity “Hot Spots” in the Direct Analysis in Real Time Mass Spectrometry of Nerve Agent Simulants.\n \n \n \n \n\n\n \n Harris, G. A.; Falcone, C. E.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 23(1): 153–161. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"SensitivityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{harris_sensitivity_2012,\n\ttitle = {Sensitivity “{Hot} {Spots}” in the {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} of {Nerve} {Agent} {Simulants}},\n\tvolume = {23},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-011-0276-8},\n\tdoi = {10.1007/s13361-011-0276-8},\n\tabstract = {Presented here are findings describing the spatial-dependence of sensitivity and ion suppression effects observed with direct analysis in real time (DART). Continuous liquid infusion of dimethyl methyl phosphonate (DMMP) revealed that ion yield “hot spots” did not always correspond with the highest temperature regions within the ionization space. For instance, at lower concentrations (50 and 100 μM), the highest sensitivities were in the middle of the ionization region at 200 °C where there was a shorter ion transport distance, and the heat available to thermally desorb neutrals was moderate. Conversely, at higher DMMP concentrations (500 μM), the highest ion yield was directly in front of the DART source at 200 °C where it was exposed to the highest temperature for thermal desorption. In matching experiments, differential analyte volatility was observed to play a smaller role in relative ion suppression than differences in proton affinity and the relative sampling positions of analytes. At equimolar concentrations sampled at the same position, suppression was as high as 26× between isoquinoline (proton affinity 952 kJ mol–1, boiling point 242 °C) and p-anisidine (proton affinity 900 kJ mol–1, boiling point 243 °C). This effect was exacerbated when sampling positions of the two analytes differed, reaching levels of relative suppression as high as 4543.0× ± 1406.0. To mitigate this level of relative ion suppression, sampling positions and molar ratios of the analytes were modified to create conditions in which ion suppression was negligible.},\n\tnumber = {1},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Harris, Glenn A. and Falcone, Caitlin E. and Fernández, Facundo M.},\n\tyear = {2012},\n\tkeywords = {Biomedical and Life Sciences, Direct analysis in real time (DART); Ambient MS; Ionization fundamentals; Ion suppression; Nerve agent simulants; AccuTOF},\n\tpages = {153--161},\n}\n\n\n\n
\n
\n\n\n
\n Presented here are findings describing the spatial-dependence of sensitivity and ion suppression effects observed with direct analysis in real time (DART). Continuous liquid infusion of dimethyl methyl phosphonate (DMMP) revealed that ion yield “hot spots” did not always correspond with the highest temperature regions within the ionization space. For instance, at lower concentrations (50 and 100 μM), the highest sensitivities were in the middle of the ionization region at 200 °C where there was a shorter ion transport distance, and the heat available to thermally desorb neutrals was moderate. Conversely, at higher DMMP concentrations (500 μM), the highest ion yield was directly in front of the DART source at 200 °C where it was exposed to the highest temperature for thermal desorption. In matching experiments, differential analyte volatility was observed to play a smaller role in relative ion suppression than differences in proton affinity and the relative sampling positions of analytes. At equimolar concentrations sampled at the same position, suppression was as high as 26× between isoquinoline (proton affinity 952 kJ mol–1, boiling point 242 °C) and p-anisidine (proton affinity 900 kJ mol–1, boiling point 243 °C). This effect was exacerbated when sampling positions of the two analytes differed, reaching levels of relative suppression as high as 4543.0× ± 1406.0. To mitigate this level of relative ion suppression, sampling positions and molar ratios of the analytes were modified to create conditions in which ion suppression was negligible.\n
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\n \n\n \n \n \n \n \n \n Ambient analysis by thermal desorption atmospheric pressure photoionization.\n \n \n \n \n\n\n \n Jorabchi, K.; Hanold, K.; and Syage, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–8. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{jorabchi_ambient_2012,\n\ttitle = {Ambient analysis by thermal desorption atmospheric pressure photoionization},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-6536-z},\n\tdoi = {10.1007/s00216-012-6536-z},\n\tabstract = {Ambient mass spectrometry has attracted substantial attention in recent years. Among ambient ionization methods, thermal desorption ionization stands out because of two attributes: (1) simplicity, rendering the technique suitable for in-field applications, and (2) ability to couple with a variety of gas-phase ionization methods thereby broadening the range of molecules that can be analyzed with this method. Here, we report on improving the performance of a direct analysis in real time (DART) source by implementing atmospheric pressure photoionization (APPI) downstream of the desorption region. At identical desorption and ion sampling conditions, APPI leads to detection of radical molecular ions from non-polar compounds that are absent from the spectra generated by DART alone. Moreover, a factor of 3–5 improvement in sensitivity is observed using APPI for positive ions commonly detected by DART and DART-APPI. Using helium and nitrogen as desorption gases, APPI shows identical performance regardless of desorption gas type. In contrast, a dramatic decrease in sensitivity is observed for DART operated with nitrogen compared to DART with helium. Comparable performance for DART and DART-APPI are observed in negative ion mode, although both show a drastic improvement in the absence of the Vapur interface. This interface creates a differentially pumped chamber prior to inlet of the mass spectrometer and reduces the mass spectrometer gas load when helium is used as desorption gas.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Jorabchi, Kaveh and Hanold, Karl and Syage, Jack},\n\tmonth = nov,\n\tyear = {2012},\n\tkeywords = {Ambient mass spectrometry, Direct analysis in real time, Photoionization},\n\tpages = {1--8},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n Ambient mass spectrometry has attracted substantial attention in recent years. Among ambient ionization methods, thermal desorption ionization stands out because of two attributes: (1) simplicity, rendering the technique suitable for in-field applications, and (2) ability to couple with a variety of gas-phase ionization methods thereby broadening the range of molecules that can be analyzed with this method. Here, we report on improving the performance of a direct analysis in real time (DART) source by implementing atmospheric pressure photoionization (APPI) downstream of the desorption region. At identical desorption and ion sampling conditions, APPI leads to detection of radical molecular ions from non-polar compounds that are absent from the spectra generated by DART alone. Moreover, a factor of 3–5 improvement in sensitivity is observed using APPI for positive ions commonly detected by DART and DART-APPI. Using helium and nitrogen as desorption gases, APPI shows identical performance regardless of desorption gas type. In contrast, a dramatic decrease in sensitivity is observed for DART operated with nitrogen compared to DART with helium. Comparable performance for DART and DART-APPI are observed in negative ion mode, although both show a drastic improvement in the absence of the Vapur interface. This interface creates a differentially pumped chamber prior to inlet of the mass spectrometer and reduces the mass spectrometer gas load when helium is used as desorption gas.\n
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\n \n\n \n \n \n \n \n \n Evaluating agarwood products for 2-(2-phenylethyl)chromones using direct analysis in real time time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Lancaster, C.; and Espinoza, E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(23): 2649–2656. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lancaster_evaluating_2012,\n\ttitle = {Evaluating agarwood products for 2-(2-phenylethyl)chromones using direct analysis in real time time-of-flight mass spectrometry},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6388},\n\tdoi = {10.1002/rcm.6388},\n\tabstract = {RATIONALE \n \nAgarwood is the resinous material harvested from threatened Aquilaria species. We investigated how many protonated 2-(2-phenylethyl)chromone ions were sufficient to make an accurate identification of agarwood. Analysis of 125 reference samples was carried out by direct analysis in real time time-of-flight mass spectrometry (DART-TOFMS). The identification criteria developed were applied to commercial samples. \n \nMETHODS \n \nWe developed a technique that uses DART-TOFMS to detect 2-(2-phenylethyl)chromones. Additionally, we developed a set of criteria to infer the presence of Aquilaria in commercial samples of wood chips, sawdust, incense and liquids. Additionally, we examined other fragrant woods to determine if they contained a chemical profile that could be falsely identified as agarwood. \n \nRESULTS \n \nAnalysis of reference and commercial samples (n = 151) established that DART-TOFMS provides reproducible mass spectra that are useful for inferring the genus of suspected agarwood samples. We identified 17 ions which were useful for authenticating agarwood. Comparison of the number of chromone ions detected by direct analyses of dry wood chips versus eluent analysis of methanol-extracted wood showed that results were similar. Lastly, analysis of 25 scented woods of other species did not give false positive results. \n \nCONCLUSIONS \n \nReliable criteria for inferring agarwood include the presence of diagnostic ions, m/z 319.118 or 349.129, in addition to ten or more ions characteristic of 2-(2-phenylethyl)chromones. Wood anatomists challenged with difficult morphological identifications can use this tool to assist in their analyses. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {23},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Lancaster, Cady and Espinoza, Edgard},\n\tyear = {2012},\n\tpages = {2649--2656},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Agarwood is the resinous material harvested from threatened Aquilaria species. We investigated how many protonated 2-(2-phenylethyl)chromone ions were sufficient to make an accurate identification of agarwood. Analysis of 125 reference samples was carried out by direct analysis in real time time-of-flight mass spectrometry (DART-TOFMS). The identification criteria developed were applied to commercial samples. METHODS We developed a technique that uses DART-TOFMS to detect 2-(2-phenylethyl)chromones. Additionally, we developed a set of criteria to infer the presence of Aquilaria in commercial samples of wood chips, sawdust, incense and liquids. Additionally, we examined other fragrant woods to determine if they contained a chemical profile that could be falsely identified as agarwood. RESULTS Analysis of reference and commercial samples (n = 151) established that DART-TOFMS provides reproducible mass spectra that are useful for inferring the genus of suspected agarwood samples. We identified 17 ions which were useful for authenticating agarwood. Comparison of the number of chromone ions detected by direct analyses of dry wood chips versus eluent analysis of methanol-extracted wood showed that results were similar. Lastly, analysis of 25 scented woods of other species did not give false positive results. CONCLUSIONS Reliable criteria for inferring agarwood include the presence of diagnostic ions, m/z 319.118 or 349.129, in addition to ten or more ions characteristic of 2-(2-phenylethyl)chromones. Wood anatomists challenged with difficult morphological identifications can use this tool to assist in their analyses. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Direct Monitoring of the Role Played by a Stabilizer in a Solid Sample of Polymer Using Direct Analysis in Real Time Mass Spectrometry: The Case of Irgafos 168 in Polyethylene.\n \n \n \n \n\n\n \n Fouyer, K.; Lavastre, O.; and Rondeau, D.\n\n\n \n\n\n\n Analytical Chemistry. September 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{fouyer_direct_2012,\n\ttitle = {Direct {Monitoring} of the {Role} {Played} by a {Stabilizer} in a {Solid} {Sample} of {Polymer} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}: {The} {Case} of {Irgafos} 168 in {Polyethylene}},\n\tissn = {0003-2700},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac301759q},\n\tdoi = {10.1021/ac301759q},\n\tabstract = {Direct analysis in real time (DART) ionization method is used with a time-of-flight (TOF) mass spectrometer to perform the analysis of industrial polyethylene pellets free of additives or containing Irgafos 168 as stabilizing agent without any sampling step. The developed analytical method uses the [M + H]+ ion of the bis(2-ethylhexyl) phthalate (DEHP) for performing the exact mass measurements of the stabilizer and polymer ions using the mass drift compensation procedure available on the AccuTOF mass spectrometer. DEHP is in fact a plastic contaminant always presents on the mass spectra of the analyzed samples. The mass spectra allow one to characterize either the ions of the polyethylene and that of the Irgafos. The analysis of thermally treated samples show that the polymer does not undergo any degradation when the Irgafos is present in the bulk of the material, and the role played by the Irgafos 168 is that of an oxygen trapping agent. Under UV exposure, the DART-TOF MS analyses performed on the exposed polyethylene pellets shows that the Irgafos 168 behavior toward the UV radiations is different since this one reacts by cleavages of its P?O bonds to prevent the degradation of the polymer. These interpretations are supported by all the elemental formula determination of the detected ions.},\n\turldate = {2012-10-10},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Fouyer, Kevin and Lavastre, Olivier and Rondeau, David},\n\tmonth = sep,\n\tyear = {2012},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) ionization method is used with a time-of-flight (TOF) mass spectrometer to perform the analysis of industrial polyethylene pellets free of additives or containing Irgafos 168 as stabilizing agent without any sampling step. The developed analytical method uses the [M + H]+ ion of the bis(2-ethylhexyl) phthalate (DEHP) for performing the exact mass measurements of the stabilizer and polymer ions using the mass drift compensation procedure available on the AccuTOF mass spectrometer. DEHP is in fact a plastic contaminant always presents on the mass spectra of the analyzed samples. The mass spectra allow one to characterize either the ions of the polyethylene and that of the Irgafos. The analysis of thermally treated samples show that the polymer does not undergo any degradation when the Irgafos is present in the bulk of the material, and the role played by the Irgafos 168 is that of an oxygen trapping agent. Under UV exposure, the DART-TOF MS analyses performed on the exposed polyethylene pellets shows that the Irgafos 168 behavior toward the UV radiations is different since this one reacts by cleavages of its P?O bonds to prevent the degradation of the polymer. These interpretations are supported by all the elemental formula determination of the detected ions.\n
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\n \n\n \n \n \n \n \n \n Estimation of camptothecin and pharmacological evaluation of Ophiorrhiza prostrata D. Don and Ophiorrhiza mungos L.\n \n \n \n \n\n\n \n Krishnakumar, G; Rameshkumar, K.; Srinivas, P.; Satheeshkumar, K; and Krishnan, P.\n\n\n \n\n\n\n Asian Pacific Journal of Tropical Biomedicine, 2(2, Supplement): S727–S731. February 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EstimationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{krishnakumar_estimation_2012,\n\ttitle = {Estimation of camptothecin and pharmacological evaluation of {Ophiorrhiza} prostrata {D}. {Don} and {Ophiorrhiza} mungos {L}.},\n\tvolume = {2},\n\tissn = {2221-1691},\n\turl = {http://www.sciencedirect.com/science/article/pii/S2221169112603049},\n\tdoi = {10.1016/S2221-1691(12)60304-9},\n\tabstract = {Objective \nTo carry out the qualitative and quantitative evaluation of camptothecin, estimation of total phenolic compounds and evaluation of in vitro antioxidant activity and cytotoxic activity of Ophiorrhiza prostrata and Ophiorrhiza mungos. \nMethods \nDirect Analysis in Real Time- Mass Spectrometry (DART-MS) was employed for the detection of camptothecin in the Ophiorrhiza species, while high performance thin layer chromatography (HPTLC) was used for the estimation of camptothecin. Total phenolic compounds were estimated by modified Folins-Ciocalteu's reagent method. Antioxidant activity was evaluated through DPPH radical, hydroxyl radical, superoxide radical scavenging assays and reducing power assay. The cytotoxicity evaluation was performed using MTT assay on MCF-7 cell lines. \nResults \nThe presence of camptothecin was confirmed in both the species by the [M++H] peak at 349 by DART-MS analysis. Camptothecin content was estimated as 1.47 μg/gm (dry wt) in O. prostrata and 188.60 μg/gm (dry wt) in O. mungos using HPTLC method. The moderate in vitro antioxidant activities of the methanol extracts corroborates with the low content of phenolic compounds in O. prostrata (9.88 GAE mg/g) and O. mungos (12.73 GAE mg/g). The methanol extract of O. prostrata exhibited remarkable cytotoxicity on human breast cancer cell lines (MCF-7), with IC50 value 1.10μg/mL compared to O. mungos (3.48μg/mL) and standard camptothecin (3.51μg/mL). \nConclusions \nThe application of DART-MS proved to be a simple and rapid technique for the detection of camptothecin in Ophiorrhiza species. The higher cytotoxicity for O. prostrata, despite the low content of camptothecin suggests the presence of other potential cytotoxic compounds in O. prostrata.},\n\tnumber = {2, Supplement},\n\tjournal = {Asian Pacific Journal of Tropical Biomedicine},\n\tauthor = {Krishnakumar, G and Rameshkumar, KB and Srinivas, Priya and Satheeshkumar, K and Krishnan, PN},\n\tmonth = feb,\n\tyear = {2012},\n\tkeywords = {Antioxidant activity, Camptothecin, Cytotoxicity, DART-MS analysis, HPTLC estimation, Ophiorrhiza mungos, Ophiorrhiza prostrata},\n\tpages = {S727--S731},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Objective To carry out the qualitative and quantitative evaluation of camptothecin, estimation of total phenolic compounds and evaluation of in vitro antioxidant activity and cytotoxic activity of Ophiorrhiza prostrata and Ophiorrhiza mungos. Methods Direct Analysis in Real Time- Mass Spectrometry (DART-MS) was employed for the detection of camptothecin in the Ophiorrhiza species, while high performance thin layer chromatography (HPTLC) was used for the estimation of camptothecin. Total phenolic compounds were estimated by modified Folins-Ciocalteu's reagent method. Antioxidant activity was evaluated through DPPH radical, hydroxyl radical, superoxide radical scavenging assays and reducing power assay. The cytotoxicity evaluation was performed using MTT assay on MCF-7 cell lines. Results The presence of camptothecin was confirmed in both the species by the [M++H] peak at 349 by DART-MS analysis. Camptothecin content was estimated as 1.47 μg/gm (dry wt) in O. prostrata and 188.60 μg/gm (dry wt) in O. mungos using HPTLC method. The moderate in vitro antioxidant activities of the methanol extracts corroborates with the low content of phenolic compounds in O. prostrata (9.88 GAE mg/g) and O. mungos (12.73 GAE mg/g). The methanol extract of O. prostrata exhibited remarkable cytotoxicity on human breast cancer cell lines (MCF-7), with IC50 value 1.10μg/mL compared to O. mungos (3.48μg/mL) and standard camptothecin (3.51μg/mL). Conclusions The application of DART-MS proved to be a simple and rapid technique for the detection of camptothecin in Ophiorrhiza species. The higher cytotoxicity for O. prostrata, despite the low content of camptothecin suggests the presence of other potential cytotoxic compounds in O. prostrata.\n
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\n \n\n \n \n \n \n \n \n Argon Direct Analysis in Real Time (Ar-DART) Mass Spectrometry in Conjunction with Make-Up Solvents: A Novel Method for Analysis of Labile Compounds.\n \n \n \n \n\n\n \n Yang, H.; Wan, D.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytical Chemistry. December 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ArgonPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{yang_argon_2012,\n\ttitle = {Argon {Direct} {Analysis} in {Real} {Time} ({Ar}-{DART}) {Mass} {Spectrometry} in {Conjunction} with {Make}-{Up} {Solvents}: {A} {Novel} {Method} for {Analysis} of {Labile} {Compounds}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3026543},\n\tdoi = {10.1021/ac3026543},\n\tabstract = {Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with make-up solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a make-up solvent (absolute ethyl alcohol, methanol, fluorobenzene or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.},\n\turldate = {2013-01-04},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Yang, Hongmei and Wan, Debin and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tmonth = dec,\n\tyear = {2012},\n}\n\n\n\n
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\n Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with make-up solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a make-up solvent (absolute ethyl alcohol, methanol, fluorobenzene or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.\n
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\n \n\n \n \n \n \n \n \n Normal phase LC coupled with DART-MS for the chiral analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol and jasmonic acid.\n \n \n \n \n\n\n \n Chang, C.; Zhou, Z.; Yang, Y.; Han, Y.; Bai, Y.; Zhao, M.; and Liu, H.\n\n\n \n\n\n\n ELECTROPHORESIS,n/a. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"NormalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{chang_normal_2012,\n\ttitle = {Normal phase {LC} coupled with {DART}-{MS} for the chiral analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol and jasmonic acid},\n\tissn = {1522-2683},\n\turl = {http://dx.doi.org/10.1002/elps.201200122},\n\tdoi = {10.1002/elps.201200122},\n\tabstract = {Normal phase chiral liquid chromatography has been proved to be powerful and efficient for chiral separation. However, the combination of normal phase liquid chromatography (NPLC) with electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) is restricted by the poor ionization efficiency and thermal fragmentations of analytes to some extent. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization technique that shows high ionization efficiency of the analytes in the normal phase mobile phase. In this work, we coupled chiral NPLC to DART-MS for the chiral qualitative and quantitative analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) and jasmonic acid (JA) enantiomers. Satisfactory results for the enantiomers of NNAL operating in the positive mode were obtained in terms of linearity (2.5–250 μg/mL, R2, 0.999–1.000) and repeatability (25 μg/mL, RSDs, 4.7–5.6\\%). Moreover, chiral NPLC-DART-MS resulted in the simultaneous chiral separation and detection of JA enantiomers, which are very difficult to be analyzed by NPLC-ESI-MS and NPLC-APCI-MS. Compared with the coupled techniques of NPLC-ESI-MS and NPLC-APCI-MS, NPLC-DART-MS showed advantages in increasing the ionization efficiency and reducing the in-source thermal fragmentation of analytes.},\n\tjournal = {ELECTROPHORESIS},\n\tauthor = {Chang, Cuilan and Zhou, Zhigui and Yang, Youyou and Han, Yehua and Bai, Yu and Zhao, Meiping and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol, Chiral separation, DART-MS, Jasmonic acid, NPLC},\n\tpages = {n/a},\n}\n\n\n\n\n\n\n\n
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\n Normal phase chiral liquid chromatography has been proved to be powerful and efficient for chiral separation. However, the combination of normal phase liquid chromatography (NPLC) with electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) is restricted by the poor ionization efficiency and thermal fragmentations of analytes to some extent. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization technique that shows high ionization efficiency of the analytes in the normal phase mobile phase. In this work, we coupled chiral NPLC to DART-MS for the chiral qualitative and quantitative analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) and jasmonic acid (JA) enantiomers. Satisfactory results for the enantiomers of NNAL operating in the positive mode were obtained in terms of linearity (2.5–250 μg/mL, R2, 0.999–1.000) and repeatability (25 μg/mL, RSDs, 4.7–5.6%). Moreover, chiral NPLC-DART-MS resulted in the simultaneous chiral separation and detection of JA enantiomers, which are very difficult to be analyzed by NPLC-ESI-MS and NPLC-APCI-MS. Compared with the coupled techniques of NPLC-ESI-MS and NPLC-APCI-MS, NPLC-DART-MS showed advantages in increasing the ionization efficiency and reducing the in-source thermal fragmentation of analytes.\n
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\n \n\n \n \n \n \n \n \n Rapid detection of alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS/MS).\n \n \n \n \n\n\n \n Sun, L.; Hu, X.; Liu, L.; Jin, H.; and Lin, R.\n\n\n \n\n\n\n Zhongguo Zhong Yao Za Zhi, 37: 1426–30. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{sun_rapid_2012,\n\ttitle = {Rapid detection of alkaloids in {Ipecac} by direct analysis in real time tandem mass spectrometry ({DART}-{MS}/{MS})},\n\tvolume = {37},\n\turl = {http://www.ncbi.nlm.nih.gov/pubmed/22860455},\n\tabstract = {OBJECTIVE: To detect alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS) without pre-treatment and chromatographic separation. METHOD: Under the optimum conditions, DART-MS characteristic spectra were collected for tablet of Ipecac powder, Ipecac stems and leaves by full scanning,and secondary spectra were adopted for identifying alkaloids. The multiple reaction monitoring mode was adopted to determine the mass spectrum peak intensity of determinands on the surface of determined samples, in order to calculate their average content in samples. RESULT: Spectra of tablet of Ipecac powder and Ipecac stems showed remarkable ionized ion peaks of emetine and cephaeline at m/z 481 and 467, while spectra of leaves showed ionized ion peaks of other alkaloids at m/z 479 and 465. Furthermore, the quantitative analysis was also demonstrated with good reproducibility and linear relationship. CONCLUSION:  The mode can play a role in rapid determination of medicinal materials and prepared herbal medicines and real-time rapid quantitative analysis on intermediates and preparations.},\n\tlanguage = {Chinese},\n\tjournal = {Zhongguo Zhong Yao Za Zhi},\n\tauthor = {Sun, Lei and Hu, Xiaoru and Liu, Lina and Jin, Hongyu and Lin, Ruichao},\n\tyear = {2012},\n\tpages = {1426--30},\n}\n\n\n\n
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\n OBJECTIVE: To detect alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS) without pre-treatment and chromatographic separation. METHOD: Under the optimum conditions, DART-MS characteristic spectra were collected for tablet of Ipecac powder, Ipecac stems and leaves by full scanning,and secondary spectra were adopted for identifying alkaloids. The multiple reaction monitoring mode was adopted to determine the mass spectrum peak intensity of determinands on the surface of determined samples, in order to calculate their average content in samples. RESULT: Spectra of tablet of Ipecac powder and Ipecac stems showed remarkable ionized ion peaks of emetine and cephaeline at m/z 481 and 467, while spectra of leaves showed ionized ion peaks of other alkaloids at m/z 479 and 465. Furthermore, the quantitative analysis was also demonstrated with good reproducibility and linear relationship. CONCLUSION: The mode can play a role in rapid determination of medicinal materials and prepared herbal medicines and real-time rapid quantitative analysis on intermediates and preparations.\n
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\n \n\n \n \n \n \n \n \n Validation of a Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for the quantitation of six carbon sugars in a saccharification matrix.\n \n \n \n \n\n\n \n Saang'onyo, D.; Selby, G.; and Smith, D. L.\n\n\n \n\n\n\n Anal. Methods. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{saangonyo_validation_2012,\n\ttitle = {Validation of a {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) method for the quantitation of six carbon sugars in a saccharification matrix},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C2AY25337B},\n\tabstract = {A Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for quantitation of six carbon sugars in saccharification matrix (solution used for the enzyme hydrolysis of switchgrass) was developed and validated. The DART ion source was used to produce ammonium adducts of the spiked glucose molecular ion and the d2-glucose (internal standard) that were detected by scanning with a linear ion trap. Calibration curves were obtained over a linear range of 10 to 3000 [small mu ]M with correlation coefficients better than 0.997 and method recoveries were 94.9\\% to 103.0\\%. Matrix effects were observed and managed with matrix-matching standards for generating calibration curves. Limits of detection and quantitation were 5.84 [times] 10-6 M and 1.95 [times] 10-5 M, respectively. These results indicate this method could be implemented for quantitation of glucose generated from saccharification samples.},\n\tjournal = {Anal. Methods},\n\tauthor = {Saang'onyo, Daudi and Selby, Gary and Smith, Darrin L.},\n\tyear = {2012},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n A Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for quantitation of six carbon sugars in saccharification matrix (solution used for the enzyme hydrolysis of switchgrass) was developed and validated. The DART ion source was used to produce ammonium adducts of the spiked glucose molecular ion and the d2-glucose (internal standard) that were detected by scanning with a linear ion trap. Calibration curves were obtained over a linear range of 10 to 3000 [small mu ]M with correlation coefficients better than 0.997 and method recoveries were 94.9% to 103.0%. Matrix effects were observed and managed with matrix-matching standards for generating calibration curves. Limits of detection and quantitation were 5.84 [times] 10-6 M and 1.95 [times] 10-5 M, respectively. These results indicate this method could be implemented for quantitation of glucose generated from saccharification samples.\n
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\n \n\n \n \n \n \n \n Ambient mass spectrometry for extractionless analyses of plants: Holy Grail, useful tool or hoax?.\n \n \n \n\n\n \n van Beek, T.; Shen, Y; Verweij, T; Villela, A; and Claassen, F\n\n\n \n\n\n\n Planta Med, 78(11): CL44. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{van_beek_ambient_2012,\n\ttitle = {Ambient mass spectrometry for extractionless analyses of plants: {Holy} {Grail}, useful tool or hoax?},\n\tvolume = {78},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0032-1320279},\n\tabstract = {Ambient mass spectrometry allows sampling on your benchtop at atmospheric pressure and often without any sample preparation. A short overview of ambient MS is given including ionisation mechanisms and new exciting developments such as leaf spray. Direct Analysis in Real Time (DART) and Desorption Electrospray Ionisation (DESI) applications from the author's group in the field of natural products chemistry are presented. In particular DART-MS is a versatile, easy to handle and fast technique allowing even quantitative measurements of secondary plant metabolites such as alkaloids, terpenes (Ginkgo, star anise) and flavonoids. Fig. A shows the DART-MS of toxic Japanese star anise with a clear peak for the neurotoxin anisatin at m/z 327.107. Chinese star anise lacks this peak (Fig. B). This result was obtained in seconds without any sample preparation. In combination with high-resolution MS it can be used for quality control, adulteration detection, metabolomics and screening of herbal products. It can also be hyphenated to HPLC or TLC. A comparison of DART and DESI-MS in terms of scope, figures of merit and limitations is made.},\n\tnumber = {11},\n\tjournal = {Planta Med},\n\tauthor = {van Beek, TA and Shen, Y and Verweij, T and Villela, A and Claassen, F},\n\tyear = {2012},\n\tpages = {CL44},\n}\n\n\n\n
\n
\n\n\n
\n Ambient mass spectrometry allows sampling on your benchtop at atmospheric pressure and often without any sample preparation. A short overview of ambient MS is given including ionisation mechanisms and new exciting developments such as leaf spray. Direct Analysis in Real Time (DART) and Desorption Electrospray Ionisation (DESI) applications from the author's group in the field of natural products chemistry are presented. In particular DART-MS is a versatile, easy to handle and fast technique allowing even quantitative measurements of secondary plant metabolites such as alkaloids, terpenes (Ginkgo, star anise) and flavonoids. Fig. A shows the DART-MS of toxic Japanese star anise with a clear peak for the neurotoxin anisatin at m/z 327.107. Chinese star anise lacks this peak (Fig. B). This result was obtained in seconds without any sample preparation. In combination with high-resolution MS it can be used for quality control, adulteration detection, metabolomics and screening of herbal products. It can also be hyphenated to HPLC or TLC. A comparison of DART and DESI-MS in terms of scope, figures of merit and limitations is made.\n
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\n \n\n \n \n \n \n \n \n Metabolomic fingerprinting employing DART-TOFMS for authentication of tomatoes and peppers from organic and conventional farming.\n \n \n \n \n\n\n \n Novotná, H.; Kmiecik, O.; Gałązka, M.; Krtková, V.; Hurajová, A.; Schulzová, V.; Hallmann, E.; Rembiałkowska, E.; and Hajšlová, J.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 29(9): 1335–1346. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"MetabolomicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{novotna_metabolomic_2012,\n\ttitle = {Metabolomic fingerprinting employing {DART}-{TOFMS} for authentication of tomatoes and peppers from organic and conventional farming},\n\tvolume = {29},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2012.690348},\n\tdoi = {10.1080/19440049.2012.690348},\n\tabstract = {The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5\\% for tomato and 100\\% for pepper samples and the prediction abilities were above 80\\% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.\nThe rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5\\% for tomato and 100\\% for pepper samples and the prediction abilities were above 80\\% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.},\n\tnumber = {9},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Novotná, H. and Kmiecik, O. and Gałązka, M. and Krtková, V. and Hurajová, A. and Schulzová, V. and Hallmann, E. and Rembiałkowska, E. and Hajšlová, J.},\n\tyear = {2012},\n\tpages = {1335--1346},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5% for tomato and 100% for pepper samples and the prediction abilities were above 80% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models. The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5% for tomato and 100% for pepper samples and the prediction abilities were above 80% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART) Mass Spectrometry of Adulterants in Herbal Slimming Products using a Tandem Quadrupole MS and Data Directed Analysis.\n \n \n \n\n\n \n Jones, M.; Twohig, M; Yu, K; Balogh, M; Tice, J; and Musselman, B\n\n\n \n\n\n\n Planta Med, 78(05): P_127. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jones_direct_2012,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry} of {Adulterants} in {Herbal} {Slimming} {Products} using a {Tandem} {Quadrupole} {MS} and {Data} {Directed} {Analysis}},\n\tvolume = {78},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0032-1307635},\n\tabstract = {Several troubling studies show the adulteration of herbal slimming products with sibutramine is a common occurrence. Recent reports suggesting an increased risk of serious cardiovascular events (such as heart attack or stroke) in patients with known cardiovascular disease taking sibutramine have prompted the European Medicines Agency (EMA) to recommend that the use of sibutramine be suspended. The aim of this study is to develop specific methods for the rapid screening of herbal medicines for illicit adulteration with pharmaceutical drugs.\n\nHerbal slimming aids were purchased over the internet from store websites and auction sites. Samples were analysed using a direct analysis in real time (DART) interface and a tandem quadrupole mass spectrometer. Samples purchased over the internet were found to contain undeclared pharmaceutical substances with the main component being sibutramine, an appetite suppressant used in the treatment of obesity. In addition to sibutramine, phenolphthalein and sildenafil were also identified none of which were declared on the box or enclosed information.\n\nDuring our study we were able to identify nine samples that had been contaminated by sibutramine. DART with data directed analysis of the sample using a data directed high low collision energy experiment provides simultaneous intact molecular ion and fragmentation information, while allowing samples to be analysed very rapidly and without the need for complex sample preparation or chromatography. The testing of unlicensed herbal medicines and herbal dietary supplements are vital functions due to the possibility of illegal adulteration and/or contamination and the potential that exists for adverse health effects to unsuspecting consumers.},\n\tnumber = {05},\n\tjournal = {Planta Med},\n\tauthor = {Jones, MD and Twohig, M and Yu, K and Balogh, M and Tice, J and Musselman, B},\n\tyear = {2012},\n\tpages = {P\\_127},\n}\n\n\n\n
\n
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\n Several troubling studies show the adulteration of herbal slimming products with sibutramine is a common occurrence. Recent reports suggesting an increased risk of serious cardiovascular events (such as heart attack or stroke) in patients with known cardiovascular disease taking sibutramine have prompted the European Medicines Agency (EMA) to recommend that the use of sibutramine be suspended. The aim of this study is to develop specific methods for the rapid screening of herbal medicines for illicit adulteration with pharmaceutical drugs. Herbal slimming aids were purchased over the internet from store websites and auction sites. Samples were analysed using a direct analysis in real time (DART) interface and a tandem quadrupole mass spectrometer. Samples purchased over the internet were found to contain undeclared pharmaceutical substances with the main component being sibutramine, an appetite suppressant used in the treatment of obesity. In addition to sibutramine, phenolphthalein and sildenafil were also identified none of which were declared on the box or enclosed information. During our study we were able to identify nine samples that had been contaminated by sibutramine. DART with data directed analysis of the sample using a data directed high low collision energy experiment provides simultaneous intact molecular ion and fragmentation information, while allowing samples to be analysed very rapidly and without the need for complex sample preparation or chromatography. The testing of unlicensed herbal medicines and herbal dietary supplements are vital functions due to the possibility of illegal adulteration and/or contamination and the potential that exists for adverse health effects to unsuspecting consumers.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry with collision-induced dissociation for structural analysis of synthetic cannabinoids.\n \n \n \n \n\n\n \n Musah, R. A.; Domin, M. A.; Cody, R. B.; Lesiak, A. D.; John Dane, A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(19): 2335–2342. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{musah_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry with collision-induced dissociation for structural analysis of synthetic cannabinoids},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6354},\n\tdoi = {10.1002/rcm.6354},\n\tabstract = {RATIONALE\n\nThe emergence of numerous cannabinoid designer drugs has been tied to large spikes in emergency room visits and overdoses. Identifying these substances is difficult for the following reasons: (1) the compounds are novel, closely structurally related, and do not usually test positive in drug screens; (2) novel analogs rapidly appear on the market; (3) no standard protocols exist for their identification; and (4) customized and extensive sample preparation/extraction and analysis procedures are required to demonstrate their presence. \n\nMETHODS\n\nDirect analysis in real time mass spectrometry (DART-MS) employing collision-induced dissociation (CID) provided confirmatory structural information that was useful in characterizing the various cannabinoid analogs, including those contained in mixtures. CID analysis illustrated that, although closely related compounds fragment in a similar fashion, their structural differences still resulted in multiple diagnostic peaks that provided additional confidence towards structural identification. \n\nRESULTS\n\nDART-MS spectra were acquired under CID conditions to rapidly differentiate among five synthetic cannabinoids contained within 'herbal' products purchased locally in New York State (USA). The spectra exhibited [M+H]+ ions and product ions unique to each cannabinoid that corresponded to major structural features. Five different cannabinoid analogs, alone and as mixtures of at least two cannabinoids, were identified in six herbal products and differentiated by their CID product ion patterns. \n\nCONCLUSIONS\n\nIllicit synthetic cannabinoid products continue to be readily available despite national and international restrictions. These products contain a wide range of active components, and, in many cases, multiple active ingredients. DART-MS allows rapid analyses of these synthetic cannabinoids based on the exact masses of their [M+H]+ ions and product ion peaks generated using CID. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {19},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Domin, Marek A. and Cody, Robert B. and Lesiak, Ashton D. and John Dane, A. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tpages = {2335--2342},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE The emergence of numerous cannabinoid designer drugs has been tied to large spikes in emergency room visits and overdoses. Identifying these substances is difficult for the following reasons: (1) the compounds are novel, closely structurally related, and do not usually test positive in drug screens; (2) novel analogs rapidly appear on the market; (3) no standard protocols exist for their identification; and (4) customized and extensive sample preparation/extraction and analysis procedures are required to demonstrate their presence. METHODS Direct analysis in real time mass spectrometry (DART-MS) employing collision-induced dissociation (CID) provided confirmatory structural information that was useful in characterizing the various cannabinoid analogs, including those contained in mixtures. CID analysis illustrated that, although closely related compounds fragment in a similar fashion, their structural differences still resulted in multiple diagnostic peaks that provided additional confidence towards structural identification. RESULTS DART-MS spectra were acquired under CID conditions to rapidly differentiate among five synthetic cannabinoids contained within 'herbal' products purchased locally in New York State (USA). The spectra exhibited [M+H]+ ions and product ions unique to each cannabinoid that corresponded to major structural features. Five different cannabinoid analogs, alone and as mixtures of at least two cannabinoids, were identified in six herbal products and differentiated by their CID product ion patterns. CONCLUSIONS Illicit synthetic cannabinoid products continue to be readily available despite national and international restrictions. These products contain a wide range of active components, and, in many cases, multiple active ingredients. DART-MS allows rapid analyses of these synthetic cannabinoids based on the exact masses of their [M+H]+ ions and product ion peaks generated using CID. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Fingerprinting food: current technologies for the detection of food adulteration and contamination.\n \n \n \n \n\n\n \n Ellis, D. I.; Brewster, V. L.; Dunn, W. B.; Allwood, J. W.; Golovanov, A. P.; and Goodacre, R.\n\n\n \n\n\n\n Chem. Soc. Rev.. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"FingerprintingPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{ellis_fingerprinting_2012,\n\ttitle = {Fingerprinting food: current technologies for the detection of food adulteration and contamination},\n\tissn = {0306-0012},\n\turl = {http://dx.doi.org/10.1039/C2CS35138B},\n\tabstract = {Major food adulteration and contamination events seem to occur with some regularity, such as the widely publicised adulteration of milk products with melamine and the recent microbial contamination of vegetables across Europe for example. With globalisation and rapid distribution systems, these can have international impacts with far-reaching and sometimes lethal consequences. These events, though potentially global in the modern era, are in fact far from contemporary, and deliberate adulteration of food products is probably as old as the food processing and production systems themselves. This review first introduces some background into these practices, both historically and contemporary, before introducing a range of the technologies currently available for the detection of food adulteration and contamination. These methods include the vibrational spectroscopies: near-infrared, mid-infrared, Raman; NMR spectroscopy, as well as a range of mass spectrometry (MS) techniques, amongst others. This subject area is particularly relevant at this time, as it not only concerns the continuous engagement with food adulterers, but also more recent issues such as food security, bioterrorism and climate change. It is hoped that this introductory overview acts as a springboard for researchers in science, technology, engineering, and industry, in this era of systems-level thinking and interdisciplinary approaches to new and contemporary problems.},\n\tjournal = {Chem. Soc. Rev.},\n\tauthor = {Ellis, David I. and Brewster, Victoria L. and Dunn, Warwick B. and Allwood, J. William and Golovanov, Alexander P. and Goodacre, Royston},\n\tyear = {2012},\n}\n\n\n\n
\n
\n\n\n
\n Major food adulteration and contamination events seem to occur with some regularity, such as the widely publicised adulteration of milk products with melamine and the recent microbial contamination of vegetables across Europe for example. With globalisation and rapid distribution systems, these can have international impacts with far-reaching and sometimes lethal consequences. These events, though potentially global in the modern era, are in fact far from contemporary, and deliberate adulteration of food products is probably as old as the food processing and production systems themselves. This review first introduces some background into these practices, both historically and contemporary, before introducing a range of the technologies currently available for the detection of food adulteration and contamination. These methods include the vibrational spectroscopies: near-infrared, mid-infrared, Raman; NMR spectroscopy, as well as a range of mass spectrometry (MS) techniques, amongst others. This subject area is particularly relevant at this time, as it not only concerns the continuous engagement with food adulterers, but also more recent issues such as food security, bioterrorism and climate change. It is hoped that this introductory overview acts as a springboard for researchers in science, technology, engineering, and industry, in this era of systems-level thinking and interdisciplinary approaches to new and contemporary problems.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry for the rapid identification of four highly hazardous pesticides in agrochemicals.\n \n \n \n \n\n\n \n Wang, L.; Zhao, P.; Zhang, F.; Li, Y.; and Pan, C.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(16): 1859–1867. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry for the rapid identification of four highly hazardous pesticides in agrochemicals},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6274},\n\tdoi = {10.1002/rcm.6274},\n\tabstract = {RATIONALE\nDirect analysis in real time (DART) is a new ion source technique, which is conducted in the open air under ambient conditions, applied to the rapid and direct analysis of any material (gases, liquids, and solids) with minimal or no sample preparation. In order to take advantage of the capacity of DART mass spectrometry for the real-time analysis of hazardous ingredients in commercial agrochemicals, a pilot study of rapid qualitative determination of hazardous pesticides was performed. \nMETHODS\nHighly hazardous pesticides were identified by DART ionization coupled to a single-quadrupole mass spectrometer (DART-MS). Acetonitrile was chosen for dissolving samples prior to the analysis. Samples were analyzed by this technique in as little as 5 s. \nRESULTS\nPhorate, carbofuran, ethoprophos and fipronil were be detected directly from commercial agrochemicals. The ionization-related parameters (DART temperature, grid voltage and MS fragment) of these compounds were optimized to obtain highly response. Isotope patterns were taken into consideration for qualitative identification. Relative standard deviations (RSDs, n = 5) of 2.3–15.0\\% were obtained by measuring the relative abundance of selected isotopes. \nCONCLUSIONS\nThis study showed that DART-MS technology was able to qualitatively determine the existence of highly hazardous pesticides in commercial pesticide formulations. It is suggested that this technology should be applied for routine monitoring in the market. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {16},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Wang, Lei and Zhao, Pengyue and Zhang, Fengzu and Li, Yanjie and Pan, Canping},\n\tyear = {2012},\n\tpages = {1859--1867},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Direct analysis in real time (DART) is a new ion source technique, which is conducted in the open air under ambient conditions, applied to the rapid and direct analysis of any material (gases, liquids, and solids) with minimal or no sample preparation. In order to take advantage of the capacity of DART mass spectrometry for the real-time analysis of hazardous ingredients in commercial agrochemicals, a pilot study of rapid qualitative determination of hazardous pesticides was performed. METHODS Highly hazardous pesticides were identified by DART ionization coupled to a single-quadrupole mass spectrometer (DART-MS). Acetonitrile was chosen for dissolving samples prior to the analysis. Samples were analyzed by this technique in as little as 5 s. RESULTS Phorate, carbofuran, ethoprophos and fipronil were be detected directly from commercial agrochemicals. The ionization-related parameters (DART temperature, grid voltage and MS fragment) of these compounds were optimized to obtain highly response. Isotope patterns were taken into consideration for qualitative identification. Relative standard deviations (RSDs, n = 5) of 2.3–15.0% were obtained by measuring the relative abundance of selected isotopes. CONCLUSIONS This study showed that DART-MS technology was able to qualitatively determine the existence of highly hazardous pesticides in commercial pesticide formulations. It is suggested that this technology should be applied for routine monitoring in the market. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time by Mass Spectrometric Technique for Determining the Variation in Metabolite Profiles of Cinnamomum tamala Nees and Eberm Genotypes.\n \n \n \n \n\n\n \n Singh, V.; Gupta, A. K.; Singh, S. P.; and Kumar, A.\n\n\n \n\n\n\n The Scientific World Journal, 2012: 6. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{singh_direct_2012,\n\ttitle = {Direct {Analysis} in {Real} {Time} by {Mass} {Spectrometric} {Technique} for {Determining} the {Variation} in {Metabolite} {Profiles} of {Cinnamomum} tamala {Nees} and {Eberm} {Genotypes}},\n\tvolume = {2012},\n\turl = {http://dx.doi.org/10.1100/2012/549265},\n\tabstract = {Cinnamomum tamala Nees \\& Eberm. is an important traditional  medicinal plant, mentioned in various ancient  literatures such as Ayurveda. Several of its medicinal properties have recently been proved. To characterize diversity in terms of metabolite profiles of Cinnamomum tamala Nees and Eberm genotypes, a newly emerging mass spectral ionization technique direct time in real time (DART) is very helpful. The DART ion source has been used to analyze an extremely wide range of phytochemicals present in leaves of Cinnamomum tamala. Ten genotypes were assessed for the presence of different phytochemicals. Phytochemical analysis showed the presence of mainly terpenes and phenols. These constituents vary in the different genotypes of Cinnamomum tamala. Principal component analysis has also been employed to analyze the DART data of these Cinnamomum genotypes. The result shows that the genotype of Cinnamomum tamala could be differentiated using DART MS data. The active components present in Cinnamomum tamala may be contributing significantly to high amount of antioxidant property of leaves and, in turn, conditional effects for diabetic patients.},\n\tjournal = {The Scientific World Journal},\n\tauthor = {Singh, Vineeta and Gupta, Atul Kumar and Singh, S. P. and Kumar, Anil},\n\tyear = {2012},\n\tpages = {6},\n}\n\n\n\n
\n
\n\n\n
\n Cinnamomum tamala Nees & Eberm. is an important traditional medicinal plant, mentioned in various ancient literatures such as Ayurveda. Several of its medicinal properties have recently been proved. To characterize diversity in terms of metabolite profiles of Cinnamomum tamala Nees and Eberm genotypes, a newly emerging mass spectral ionization technique direct time in real time (DART) is very helpful. The DART ion source has been used to analyze an extremely wide range of phytochemicals present in leaves of Cinnamomum tamala. Ten genotypes were assessed for the presence of different phytochemicals. Phytochemical analysis showed the presence of mainly terpenes and phenols. These constituents vary in the different genotypes of Cinnamomum tamala. Principal component analysis has also been employed to analyze the DART data of these Cinnamomum genotypes. The result shows that the genotype of Cinnamomum tamala could be differentiated using DART MS data. The active components present in Cinnamomum tamala may be contributing significantly to high amount of antioxidant property of leaves and, in turn, conditional effects for diabetic patients.\n
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\n \n\n \n \n \n \n \n \n Detection of nitro-organic and peroxide explosives in latent fingermarks by DART- and SALDI-TOF-mass spectrometry.\n \n \n \n \n\n\n \n Rowell, F.; Seviour, J.; Lim, A. Y.; Elumbaring-Salazar, C. G.; Loke, J.; and Ma, J.\n\n\n \n\n\n\n Forensic Science International, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{rowell_detection_2012,\n\ttitle = {Detection of nitro-organic and peroxide explosives in latent fingermarks by {DART}- and {SALDI}-{TOF}-mass spectrometry},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073812001703},\n\tdoi = {10.1016/j.forsciint.2012.04.007},\n\tabstract = {The ability of two mass spectrometric methods, surface-assisted laser desorption/ionization-time of flight-mass spectrometry (SALDI-TOF-MS) and direct analysis in real time (DART-MS), to detect the presence of seven common explosives (six nitro-organic- and one peroxide-type) in spiked latent fingermarks has been examined. It was found that each explosive could be detected with nanogram sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-TOF-MS for marks pre-dusted with one type of commercial black magnetic powder. These explosives also could be detected in latent marks lifted from six common surfaces (paper, plastic bag, metal drinks can, wood laminate, adhesive tape and white ceramic tile) whereas no explosive could be detected in equivalent pre-dusted marks on the surface of a commercial lifting tape by the DART-MS method due to high background interference from the tape material. The presence of TNT and Tetryl could be detected in pre-dusted latent fingermarks on a commercial lifting tape for up to 29 days sealed and stored under ambient conditions.},\n\tnumber = {0},\n\tjournal = {Forensic Science International},\n\tauthor = {Rowell, Frederick and Seviour, John and Lim, Angelina Yimei and Elumbaring-Salazar, Cheryl Grace and Loke, Jason and Ma, Jan},\n\tyear = {2012},\n\tkeywords = {Contact residues, DART-mass spectrometry, Dusting powder, Lifted latent fingermarks, Nitro-organic and peroxide explosives, SALDI-TOF-mass spectrometry, Stability},\n}\n\n\n\n
\n
\n\n\n
\n The ability of two mass spectrometric methods, surface-assisted laser desorption/ionization-time of flight-mass spectrometry (SALDI-TOF-MS) and direct analysis in real time (DART-MS), to detect the presence of seven common explosives (six nitro-organic- and one peroxide-type) in spiked latent fingermarks has been examined. It was found that each explosive could be detected with nanogram sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-TOF-MS for marks pre-dusted with one type of commercial black magnetic powder. These explosives also could be detected in latent marks lifted from six common surfaces (paper, plastic bag, metal drinks can, wood laminate, adhesive tape and white ceramic tile) whereas no explosive could be detected in equivalent pre-dusted marks on the surface of a commercial lifting tape by the DART-MS method due to high background interference from the tape material. The presence of TNT and Tetryl could be detected in pre-dusted latent fingermarks on a commercial lifting tape for up to 29 days sealed and stored under ambient conditions.\n
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\n \n\n \n \n \n \n \n \n Graphite-Coated Paper as Substrate for High Sensitivity Analysis in Ambient Surface-Assisted Laser Desorption/Ionization Mass Spectrometry.\n \n \n \n \n\n\n \n Zhang, J.; Li, Z.; Zhang, C.; Feng, B.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Anal. Chem., 84(7): 3296–3301. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"Graphite-CoatedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{zhang_graphite-coated_2012,\n\ttitle = {Graphite-{Coated} {Paper} as {Substrate} for {High} {Sensitivity} {Analysis} in {Ambient} {Surface}-{Assisted} {Laser} {Desorption}/{Ionization} {Mass} {Spectrometry}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac300002g},\n\tdoi = {10.1021/ac300002g},\n\tabstract = {In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.\nIn this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.},\n\tnumber = {7},\n\tjournal = {Anal. Chem.},\n\tauthor = {Zhang, Jialing and Li, Ze and Zhang, Chengsen and Feng, Baosheng and Zhou, Zhigui and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tpages = {3296--3301},\n}\n\n\n\n
\n
\n\n\n
\n In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules. In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry and multivariate data analysis: A novel approach to rapid identification of analytical markers for quality control of traditional Chinese medicine preparation.\n \n \n \n \n\n\n \n Zeng, S.; Wang, L.; Chen, T.; Wang, Y.; Mo, H.; and Qu, H.\n\n\n \n\n\n\n Analytica Chimica Acta, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zeng_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry and multivariate data analysis: {A} novel approach to rapid identification of analytical markers for quality control of traditional {Chinese} medicine preparation},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S000326701200596X},\n\tdoi = {10.1016/j.aca.2012.04.025},\n\tabstract = {The paper presents a novel strategy to identify analytical markers of traditional Chinese medicine preparation (TCMP) rapidly via direct analysis in real time mass spectrometry (DART-MS). A commonly used TCMP, Danshen injection, was employed as a model. The optimal analysis conditions were achieved by measuring the contribution of various experimental parameters to the mass spectra. Salvianolic acids and saccharides were simultaneously determined within a single 1-min DART-MS run. Furthermore, spectra of Danshen injections supplied by five manufacturers were processed with principal component analysis (PCA). Obvious clustering was observed in the PCA score plot, and candidate markers were recognized from the contribution plots of PCA. The suitability of potential markers was then confirmed by contrasting with the results of traditional analysis methods. Using this strategy, fructose, glucose, sucrose, protocatechuic aldehyde and salvianolic acid A were rapidly identified as the markers of Danshen injections. The combination of DART-MS with PCA provides a reliable approach to the identification of analytical markers for quality control of TCMP.},\n\tnumber = {0},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zeng, Shanshan and Wang, Lu and Chen, Teng and Wang, Yuefei and Mo, Huanbiao and Qu, Haibin},\n\tyear = {2012},\n\tkeywords = {Analytical marker, Direct analysis in real time, Principal component analysis, Traditional Chinese medicine preparation, mass spectrometry},\n}\n\n\n\n
\n
\n\n\n
\n The paper presents a novel strategy to identify analytical markers of traditional Chinese medicine preparation (TCMP) rapidly via direct analysis in real time mass spectrometry (DART-MS). A commonly used TCMP, Danshen injection, was employed as a model. The optimal analysis conditions were achieved by measuring the contribution of various experimental parameters to the mass spectra. Salvianolic acids and saccharides were simultaneously determined within a single 1-min DART-MS run. Furthermore, spectra of Danshen injections supplied by five manufacturers were processed with principal component analysis (PCA). Obvious clustering was observed in the PCA score plot, and candidate markers were recognized from the contribution plots of PCA. The suitability of potential markers was then confirmed by contrasting with the results of traditional analysis methods. Using this strategy, fructose, glucose, sucrose, protocatechuic aldehyde and salvianolic acid A were rapidly identified as the markers of Danshen injections. The combination of DART-MS with PCA provides a reliable approach to the identification of analytical markers for quality control of TCMP.\n
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\n \n\n \n \n \n \n \n \n Reusable Solid Phase Microextraction Coating for Direct Immersion Whole Blood Analysis and Extracted Blood Spot Sampling Coupled with LC-MS/MS and DART-MS/MS.\n \n \n \n \n\n\n \n Mirnaghi, F.; and Pawliszyn, J.\n\n\n \n\n\n\n Anal. Chem.. August 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ReusablePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{mirnaghi_reusable_2012,\n\ttitle = {Reusable {Solid} {Phase} {Microextraction} {Coating} for {Direct} {Immersion} {Whole} {Blood} {Analysis} and {Extracted} {Blood} {Spot} {Sampling} {Coupled} with {LC}-{MS}/{MS} and {DART}-{MS}/{MS}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3018229},\n\tdoi = {10.1021/ac3018229},\n\tabstract = {Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12\\% using external calibration and 4\\% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.\nThree different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12\\% using external calibration and 4\\% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.},\n\tjournal = {Anal. Chem.},\n\tauthor = {Mirnaghi, Fatemeh and Pawliszyn, Janusz},\n\tmonth = aug,\n\tyear = {2012},\n}\n\n\n\n
\n
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\n Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12% using external calibration and 4% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam. Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12% using external calibration and 4% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.\n
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\n \n\n \n \n \n \n \n \n The evaluation and implementation of direct analysis in real time quadrupole time-of-flight tandem mass spectrometry for characterization and quantification of geniposide in Re Du Ning Injections.\n \n \n \n \n\n\n \n Li, Y.; Wang, Z.; Bi, Y.; Ding, G.; Sheng, L.; Qin, J.; Xiao, W.; Li, J.; Wang, Y.; and Wang, X.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(11): 1377–1384. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_evaluation_2012,\n\ttitle = {The evaluation and implementation of direct analysis in real time quadrupole time-of-flight tandem mass spectrometry for characterization and quantification of geniposide in {Re} {Du} {Ning} {Injections}},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6235},\n\tdoi = {10.1002/rcm.6235},\n\tabstract = {RATIONALE\nThe Direct Analysis in Real Time (DART) ionization source coupled with a quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples from complex Chinese herbal preparations without sample cleanup or chromatographic separation. \nMETHODS\nIn this work, a method based on DART/Q-TOF MS/MS has been developed for rapid determination of geniposide present in 'Re Du Ning Injections', a Chinese herbal preparation. The method has been evaluated for both qualitative and quantitative analysis of geniposide in Re Du Ning Injections. \nRESULTS\nVariables including polarity for ion detection, DART gas heater temperature, matrix effect and sample presentation speed were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision and accuracy by using both internal and external standards. A comparison of the results obtained using the DART-based method was made with those obtained using a conventional High-Performance Liquid Chromatography/Diode-Array Detector (HPLC/DAD) by analyzing geniposide in four batches of Re Du Ning Injections. \nCONCLUSIONS\nThe DART/Q-TOF MS/MS-based method provides a rapid, efficient and powerful method to analyze compounds from complex Traditional Chinese Medicines with limited sample preparation thus reducing time and complexity of quality control for those materials. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {11},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Li, Yan-Jing and Wang, Zhen-Zhong and Bi, Yu-An and Ding, Gang and Sheng, Long-Sheng and Qin, Jian-Ping and Xiao, Wei and Li, Jia-Chun and Wang, Yong-Xiang and Wang, Xue},\n\tyear = {2012},\n\tpages = {1377--1384},\n}\n\n\n\n
\n
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\n RATIONALE The Direct Analysis in Real Time (DART) ionization source coupled with a quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples from complex Chinese herbal preparations without sample cleanup or chromatographic separation. METHODS In this work, a method based on DART/Q-TOF MS/MS has been developed for rapid determination of geniposide present in 'Re Du Ning Injections', a Chinese herbal preparation. The method has been evaluated for both qualitative and quantitative analysis of geniposide in Re Du Ning Injections. RESULTS Variables including polarity for ion detection, DART gas heater temperature, matrix effect and sample presentation speed were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision and accuracy by using both internal and external standards. A comparison of the results obtained using the DART-based method was made with those obtained using a conventional High-Performance Liquid Chromatography/Diode-Array Detector (HPLC/DAD) by analyzing geniposide in four batches of Re Du Ning Injections. CONCLUSIONS The DART/Q-TOF MS/MS-based method provides a rapid, efficient and powerful method to analyze compounds from complex Traditional Chinese Medicines with limited sample preparation thus reducing time and complexity of quality control for those materials. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n ID-CUBE direct analysis in real time high-resolution mass spectrometry and its capabilities in the identification of phenolic components from the green leaves of Bergenia crassifolia L.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Crawford, E. A.; Shikov, A. N.; Pozharitskaya, O. N.; Makarov, V. G.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(11): 1329–1337. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ID-CUBEPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_id-cube_2012,\n\ttitle = {{ID}-{CUBE} direct analysis in real time high-resolution mass spectrometry and its capabilities in the identification of phenolic components from the green leaves of {Bergenia} crassifolia {L}.},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6226},\n\tdoi = {10.1002/rcm.6226},\n\tabstract = {RATIONALE\nBergenia crassifolia is a plant widely used in herbal medicine. Its chemical composition has been little studied, and no studies using high-resolution mass spectrometry (HRMS) have been performed. Its phenolic components are of particular interest, due to the interest in such compounds in medicine and cosmetics. The ID-CUBE, a simplified Direct Analysis in Real Time (DART) ion source, suitable for the fast MS analysis of liquids without complex sample preparation, offers a new method of studying extracts of such plant. Coupling the ID-CUBE with a high-resolution mass spectrometer can provide identification of extract components. \nMETHODS\nMass spectral conditions were optimized for model solutions of the flavonoid naringenin and used for the identification of phenolic compounds in green leaves extracts of Bergenia crassifolia. OpenSpot sample cards with a metal grid surface were used for sample introduction into the ID-CUBE ion source on an Obitrap mass spectrometer. The samples were applied as 5-μL aliquots of the extract onto the metal grid of the card. Sample ionization was stimulated in the ion source within 20 s by applying an electric current to the metal grid to thermally desorb the analytes into the gas flow of metastable helium atoms from the ID-CUBE. \nRESULTS\nElemental compositions were assigned to abundant ions in the mass spectra of the extracts. The major phenolic components were confirmed by their [M–H]– ions. Thirty-six other marker ions were found, and elemental compositions were suggested for 30\\% of them, based on a search for compounds found in herbal extracts. \nCONCLUSIONS\nThe ID-CUBE–Orbitrap MS coupling allowed the rapid accurate mass determination of the phenolic components (and other compounds) in herbal extracts. Higher confidence in component identification could be provided by using additional structural elucidation methods, including tandem mass spectrometry (MS/MS), and this will be the focus of future studies. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {11},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Crawford, Elizabeth A. and Shikov, Alexander N. and Pozharitskaya, Olga N. and Makarov, Valery G. and Morlock, Gertrud E.},\n\tyear = {2012},\n\tpages = {1329--1337},\n}\n\n\n\n
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\n RATIONALE Bergenia crassifolia is a plant widely used in herbal medicine. Its chemical composition has been little studied, and no studies using high-resolution mass spectrometry (HRMS) have been performed. Its phenolic components are of particular interest, due to the interest in such compounds in medicine and cosmetics. The ID-CUBE, a simplified Direct Analysis in Real Time (DART) ion source, suitable for the fast MS analysis of liquids without complex sample preparation, offers a new method of studying extracts of such plant. Coupling the ID-CUBE with a high-resolution mass spectrometer can provide identification of extract components. METHODS Mass spectral conditions were optimized for model solutions of the flavonoid naringenin and used for the identification of phenolic compounds in green leaves extracts of Bergenia crassifolia. OpenSpot sample cards with a metal grid surface were used for sample introduction into the ID-CUBE ion source on an Obitrap mass spectrometer. The samples were applied as 5-μL aliquots of the extract onto the metal grid of the card. Sample ionization was stimulated in the ion source within 20 s by applying an electric current to the metal grid to thermally desorb the analytes into the gas flow of metastable helium atoms from the ID-CUBE. RESULTS Elemental compositions were assigned to abundant ions in the mass spectra of the extracts. The major phenolic components were confirmed by their [M–H]– ions. Thirty-six other marker ions were found, and elemental compositions were suggested for 30% of them, based on a search for compounds found in herbal extracts. CONCLUSIONS The ID-CUBE–Orbitrap MS coupling allowed the rapid accurate mass determination of the phenolic components (and other compounds) in herbal extracts. Higher confidence in component identification could be provided by using additional structural elucidation methods, including tandem mass spectrometry (MS/MS), and this will be the focus of future studies. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Rapid quality assessment of Radix Aconiti Preparata using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Zhu, H.; Wang, C.; Qi, Y.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytica Chimica Acta, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zhu_rapid_2012,\n\ttitle = {Rapid quality assessment of {Radix} {Aconiti} {Preparata} using direct analysis in real time ({DART}) mass spectrometry},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267012013451?v=s5},\n\tdoi = {10.1016/j.aca.2012.09.018},\n\tabstract = {This study presents a novel and rapid method to identify chemical markers for the quality control of Radix Aconiti Preparata, a world widely used traditional herbal medicine. In the method, the samples with a fast extraction procedure were analyzed using direct analysis in real time mass spectrometry (DART MS) combined with multivariate data analysis. At present, the quality assessment approach of Radix Aconiti Preparata was based on the two processing methods recorded in Chinese Pharmacopoeia for the purpose of reducing the toxicity of Radix Aconiti and ensuring its clinical therapeutic efficacy. In order to ensure the safety and effectivity in clinical use, the processing degree of Radix Aconiti should be well controlled and assessed. In the paper, hierarchical cluster analysis and principal component analysis were performed to evaluate the DART MS data of Radix Aconiti Preparata samples in different processing times. The results showed that the well processed Radix Aconiti Preparata, unqualified processed and the raw Radix Aconiti could be clustered reasonably corresponding to their constituents. The loading plot shows that the main chemical markers having the most influence on the discrimination amongst the qualified and unqualified samples were mainly some monoester diterpenoid aconitines and diester diterpenoid aconitines, i.e. benzoylmesaconine, hypaconitine, mesaconitine, neoline, benzoylhypaconine, benzoylaconine, fuziline, aconitine and 10-OH-mesaconitine. The established DART MS approach in combination with multivariate data analysis provides a very flexible and reliable method for quality assessment of toxic herbal medicine.},\n\tnumber = {0},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zhu, Hongbin and Wang, Chunyan and Qi, Yao and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tyear = {2012},\n\tkeywords = {Direct analysis in real time, Hierarchical clustering analysis, Principal component analysis, Radix Aconiti, Radix Aconiti Preparata},\n}\n\n\n\n
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\n This study presents a novel and rapid method to identify chemical markers for the quality control of Radix Aconiti Preparata, a world widely used traditional herbal medicine. In the method, the samples with a fast extraction procedure were analyzed using direct analysis in real time mass spectrometry (DART MS) combined with multivariate data analysis. At present, the quality assessment approach of Radix Aconiti Preparata was based on the two processing methods recorded in Chinese Pharmacopoeia for the purpose of reducing the toxicity of Radix Aconiti and ensuring its clinical therapeutic efficacy. In order to ensure the safety and effectivity in clinical use, the processing degree of Radix Aconiti should be well controlled and assessed. In the paper, hierarchical cluster analysis and principal component analysis were performed to evaluate the DART MS data of Radix Aconiti Preparata samples in different processing times. The results showed that the well processed Radix Aconiti Preparata, unqualified processed and the raw Radix Aconiti could be clustered reasonably corresponding to their constituents. The loading plot shows that the main chemical markers having the most influence on the discrimination amongst the qualified and unqualified samples were mainly some monoester diterpenoid aconitines and diester diterpenoid aconitines, i.e. benzoylmesaconine, hypaconitine, mesaconitine, neoline, benzoylhypaconine, benzoylaconine, fuziline, aconitine and 10-OH-mesaconitine. The established DART MS approach in combination with multivariate data analysis provides a very flexible and reliable method for quality assessment of toxic herbal medicine.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry for analysis of sexual assault evidence.\n \n \n \n \n\n\n \n Musah, R. A.; Cody, R. B.; Dane, A. J.; Vuong, A. L.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1039–1046. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{musah_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry for analysis of sexual assault evidence},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6198},\n\tdoi = {10.1002/rcm.6198},\n\tabstract = {RATIONALE\nSexual assault crimes are vastly underreported and suffer from alarmingly low prosecution and conviction rates. The key scientific method to aid in prosecution of such cases is forensic DNA analysis, where biological evidence such as semen collected using a rape test kit is used to determine a suspect's DNA profile. However, the growing awareness by criminals of the importance of DNA in the prosecution of sexual assaults has resulted in increased condom use by assailants as a means to avoid leaving behind their DNA. Thus, other types of trace evidence are important to help corroborate victims' accounts, exonerate the innocent, link suspects to the crime, or confirm penetration. \nMETHODS\nDirect Analysis in Real Time Mass Spectrometry (DART-MS) was employed for the comprehensive characterization of non-DNA trace evidence associated with sexual assault. The ambient ionization method associated with DART-MS is extremely rapid and samples are processed instantaneously, without the need for extraction, sample preparation, or other means that might compromise forensic evidence for future analyses. \nRESULTS\nIn a single assay, we demonstrated the ability to identify lubricant formulations associated with sexual assault, such as the spermicide nonoxynol-9, compounds used in condom manufacture, and numerous other trace components as probative evidence. In addition, the method can also serve to identify compounds within trace biological residues, such as fatty acids commonly identified in latent fingerprints. \nCONCLUSIONS\nCharacterization of lubricant residues as probative evidence serves to establish a connection between the victim and the perpetrator, and the availability of these details may lead to higher rates of prosecution and conviction, as well as more severe penalties. The methodology described here opens the way for the adoption of a comprehensive, rapid, and sensitive analysis for use in crime labs, while providing knowledge that can inform and guide criminal justice policy and practice. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Cody, Robert B. and Dane, A. John and Vuong, Angela L. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1039--1046},\n}\n\n\n\n\n\n\n\n
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\n RATIONALE Sexual assault crimes are vastly underreported and suffer from alarmingly low prosecution and conviction rates. The key scientific method to aid in prosecution of such cases is forensic DNA analysis, where biological evidence such as semen collected using a rape test kit is used to determine a suspect's DNA profile. However, the growing awareness by criminals of the importance of DNA in the prosecution of sexual assaults has resulted in increased condom use by assailants as a means to avoid leaving behind their DNA. Thus, other types of trace evidence are important to help corroborate victims' accounts, exonerate the innocent, link suspects to the crime, or confirm penetration. METHODS Direct Analysis in Real Time Mass Spectrometry (DART-MS) was employed for the comprehensive characterization of non-DNA trace evidence associated with sexual assault. The ambient ionization method associated with DART-MS is extremely rapid and samples are processed instantaneously, without the need for extraction, sample preparation, or other means that might compromise forensic evidence for future analyses. RESULTS In a single assay, we demonstrated the ability to identify lubricant formulations associated with sexual assault, such as the spermicide nonoxynol-9, compounds used in condom manufacture, and numerous other trace components as probative evidence. In addition, the method can also serve to identify compounds within trace biological residues, such as fatty acids commonly identified in latent fingerprints. CONCLUSIONS Characterization of lubricant residues as probative evidence serves to establish a connection between the victim and the perpetrator, and the availability of these details may lead to higher rates of prosecution and conviction, as well as more severe penalties. The methodology described here opens the way for the adoption of a comprehensive, rapid, and sensitive analysis for use in crime labs, while providing knowledge that can inform and guide criminal justice policy and practice. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Analysis of select Dalbergia and trade timber using direct analysis in real time and time-of-flight mass spectrometry for CITES enforcement.\n \n \n \n \n\n\n \n Lancaster, C.; and Espinoza, E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1147–1156. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{lancaster_analysis_2012,\n\ttitle = {Analysis of select {Dalbergia} and trade timber using direct analysis in real time and time-of-flight mass spectrometry for {CITES} enforcement},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6215},\n\tdoi = {10.1002/rcm.6215},\n\tabstract = {RATIONALE\nInternational trade of several Dalbergia wood species is regulated by The Convention on International Trade in Endangered Species of Wild Fauna and Flora (CITES). In order to supplement morphological identification of these species, a rapid chemical method of analysis was developed. \nMETHODS\nUsing Direct Analysis in Real Time (DART) ionization coupled with Time-of-Flight (TOF) Mass Spectrometry (MS), selected Dalbergia and common trade species were analyzed. Each of the 13 wood species was classified using principal component analysis and linear discriminant analysis (LDA). These statistical data clusters served as reliable anchors for species identification of unknowns. \nRESULTS\nAnalysis of 20 or more samples from the 13 species studied in this research indicates that the DART-TOFMS results are reproducible. Statistical analysis of the most abundant ions gave good classifications that were useful for identifying unknown wood samples. \nCONCLUSIONS\nDART-TOFMS and LDA analysis of 13 species of selected timber samples and the statistical classification allowed for the correct assignment of unknown wood samples. This method is rapid and can be useful when anatomical identification is difficult but needed in order to support CITES enforcement. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Lancaster, Cady and Espinoza, Edgard},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1147--1156},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n RATIONALE International trade of several Dalbergia wood species is regulated by The Convention on International Trade in Endangered Species of Wild Fauna and Flora (CITES). In order to supplement morphological identification of these species, a rapid chemical method of analysis was developed. METHODS Using Direct Analysis in Real Time (DART) ionization coupled with Time-of-Flight (TOF) Mass Spectrometry (MS), selected Dalbergia and common trade species were analyzed. Each of the 13 wood species was classified using principal component analysis and linear discriminant analysis (LDA). These statistical data clusters served as reliable anchors for species identification of unknowns. RESULTS Analysis of 20 or more samples from the 13 species studied in this research indicates that the DART-TOFMS results are reproducible. Statistical analysis of the most abundant ions gave good classifications that were useful for identifying unknown wood samples. CONCLUSIONS DART-TOFMS and LDA analysis of 13 species of selected timber samples and the statistical classification allowed for the correct assignment of unknown wood samples. This method is rapid and can be useful when anatomical identification is difficult but needed in order to support CITES enforcement. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Rapid classification of White Oak (Quercus alba) and Northern Red Oak (Quercus rubra) by using pyrolysis direct analysis in real time (DART™) and time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Cody, R. B.; Dane, A. J.; Dawson-Andoh, B.; Adedipe, E. O.; and Nkansah, K.\n\n\n \n\n\n\n Journal of Analytical and Applied Pyrolysis, 95(0): 134–137. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cody_rapid_2012,\n\ttitle = {Rapid classification of {White} {Oak} ({Quercus} alba) and {Northern} {Red} {Oak} ({Quercus} rubra) by using pyrolysis direct analysis in real time ({DART}™) and time-of-flight mass spectrometry},\n\tvolume = {95},\n\tissn = {0165-2370},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0165237012000204},\n\tdoi = {10.1016/j.jaap.2012.01.018},\n\tabstract = {Thirty-four samples of Red Oak (Quercus rubra) and fifty samples of White Oak (Quercus alba) were analyzed by pyrolytic direct analysis in real time (DART) ionization coupled with time-of-flight (TOF) mass spectrometry. Although significant differences were not observed in the positive-ion mass spectra, the negative-ion mass spectra showed clear differences. Principal component analysis (PCA) and linear discriminant analysis (LDA) were calculated for the relative abundances of 11 peaks in the negative-ion mass spectra including peaks tentatively assigned as representing deprotonated acetic, malic, gallic, dimethoxycinnamic, and ellagic acids. Leave one out cross validation (LOOCV) was 100\\% successful in classifying the samples for both PCA and LDA.},\n\tnumber = {0},\n\tjournal = {Journal of Analytical and Applied Pyrolysis},\n\tauthor = {Cody, Robert B. and Dane, A. John and Dawson-Andoh, Benjamin and Adedipe, Emmanuel Oluwatosin and Nkansah, Kofi},\n\tyear = {2012},\n\tkeywords = {AccuTOF, Ambient ionization, Direct analysis in real time, Red oak, Time-of-flight, White oak},\n\tpages = {134--137},\n}\n\n\n\n
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\n Thirty-four samples of Red Oak (Quercus rubra) and fifty samples of White Oak (Quercus alba) were analyzed by pyrolytic direct analysis in real time (DART) ionization coupled with time-of-flight (TOF) mass spectrometry. Although significant differences were not observed in the positive-ion mass spectra, the negative-ion mass spectra showed clear differences. Principal component analysis (PCA) and linear discriminant analysis (LDA) were calculated for the relative abundances of 11 peaks in the negative-ion mass spectra including peaks tentatively assigned as representing deprotonated acetic, malic, gallic, dimethoxycinnamic, and ellagic acids. Leave one out cross validation (LOOCV) was 100% successful in classifying the samples for both PCA and LDA.\n
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\n \n\n \n \n \n \n \n \n Rapid qualitative analysis of phthalates added to food and nutraceutical products by direct analysis in real time/orbitrap mass spectrometry.\n \n \n \n \n\n\n \n Self, R. L.; and Wu, W.\n\n\n \n\n\n\n Food Control, 25(1): 13–16. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{self_rapid_2012,\n\ttitle = {Rapid qualitative analysis of phthalates added to food and nutraceutical products by direct analysis in real time/orbitrap mass spectrometry},\n\tvolume = {25},\n\tissn = {0956-7135},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0956713511004178},\n\tdoi = {10.1016/j.foodcont.2011.10.013},\n\tabstract = {A recent food safety issue involves the contamination of a broad range of food and nutraceutical products from Taiwan with industrial plasticizers. Among the suspected contaminants are selected phthalic acid esters, such as benzyl butyl phthalate, dibutyl phthalate, diisobutyl phthalate, di-2-ethylhexyl phthalate, di-n-octyl phthalate, diisononyl phthalate, and diisodecyl phthalate. Described in this study is an analytical method to rapidly qualitatively analyze these compounds in a wide variety of food and nutraceutical matrices suspected in this crisis. The method utilizes direct analysis in real time (DART) ionization coupled to a Thermo Exactive orbitrap mass spectrometer. The method is shown to be capable of detecting these compounds at levels greater than 1.0 μg/mL in all food products examined and 0.5 μg/mL in most of the samples tested. In the nutraceutical samples tested, the compounds were detected at levels of 50 μg/g for all samples with some detected as low as 1.0 μg/g.},\n\tnumber = {1},\n\tjournal = {Food Control},\n\tauthor = {Self, Randy L. and Wu, Wen-Hsin},\n\tyear = {2012},\n\tkeywords = {Direct analysis in real time (DART), Food safety, Orbitrap, Phthalates, Phthalates; Direct analysis in real time (DART); Orbitrap; Food safety},\n\tpages = {13--16},\n}\n\n\n\n
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\n A recent food safety issue involves the contamination of a broad range of food and nutraceutical products from Taiwan with industrial plasticizers. Among the suspected contaminants are selected phthalic acid esters, such as benzyl butyl phthalate, dibutyl phthalate, diisobutyl phthalate, di-2-ethylhexyl phthalate, di-n-octyl phthalate, diisononyl phthalate, and diisodecyl phthalate. Described in this study is an analytical method to rapidly qualitatively analyze these compounds in a wide variety of food and nutraceutical matrices suspected in this crisis. The method utilizes direct analysis in real time (DART) ionization coupled to a Thermo Exactive orbitrap mass spectrometer. The method is shown to be capable of detecting these compounds at levels greater than 1.0 μg/mL in all food products examined and 0.5 μg/mL in most of the samples tested. In the nutraceutical samples tested, the compounds were detected at levels of 50 μg/g for all samples with some detected as low as 1.0 μg/g.\n
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\n \n\n \n \n \n \n \n \n Optimization of direct analysis in real time (DART) linear ion trap parameters for the detection and quantitation of glucose.\n \n \n \n \n\n\n \n Saang'onyo, D. S.; and Smith, D. L.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(3): 385–391. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{saangonyo_optimization_2012,\n\ttitle = {Optimization of direct analysis in real time ({DART}) linear ion trap parameters for the detection and quantitation of glucose},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5316},\n\tdoi = {10.1002/rcm.5316},\n\tabstract = {Presented here are findings for the development and optimization of a simple, high-throughput, and rapid method for the analysis of glucose. Because the applications of glucose and other six-carbon sugars is a growing field of interest especially in the production of biofuels, an efficient and rapid method for their quantitation from lignocelluloses is necessary. Glucose was analyzed using direct analysis in real time (DART) ionization and formed adducts (along with fragmentation) were observed with a linear ion trap (LIT) mass spectrometer. Since DART can be considered a complex thermal desorption ionization process, an optimization study of the helium gas temperature and introduction into the ionization region was performed. It was observed these parameters have a significant effect on the overall signal intensity as well as the signal-to-noise ratios in DART mass spectra. Using these optimized parameters, a set of different glucose concentrations (ranging from 10 to 3000 μM) were analyzed and used to determine a linear dynamic range (with the use of an internal standard). The analysis of the samples was done with minimal sample preparation and found to be reproducible on different days. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Saang'onyo, Daudi S. and Smith, Darrin L.},\n\tyear = {2012},\n\tkeywords = {Ion trap},\n\tpages = {385--391},\n}\n\n\n\n
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\n Presented here are findings for the development and optimization of a simple, high-throughput, and rapid method for the analysis of glucose. Because the applications of glucose and other six-carbon sugars is a growing field of interest especially in the production of biofuels, an efficient and rapid method for their quantitation from lignocelluloses is necessary. Glucose was analyzed using direct analysis in real time (DART) ionization and formed adducts (along with fragmentation) were observed with a linear ion trap (LIT) mass spectrometer. Since DART can be considered a complex thermal desorption ionization process, an optimization study of the helium gas temperature and introduction into the ionization region was performed. It was observed these parameters have a significant effect on the overall signal intensity as well as the signal-to-noise ratios in DART mass spectra. Using these optimized parameters, a set of different glucose concentrations (ranging from 10 to 3000 μM) were analyzed and used to determine a linear dynamic range (with the use of an internal standard). The analysis of the samples was done with minimal sample preparation and found to be reproducible on different days. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Rapid analysis of caffeine in various coffee samples employing direct analysis in real-time ionization–high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Danhelova, H.; Hradecky, J.; Prinosilova, S.; Cajka, T.; Riddellova, K.; Vaclavik, L.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–7. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{danhelova_rapid_2012,\n\ttitle = {Rapid analysis of caffeine in various coffee samples employing direct analysis in real-time ionization–high-resolution mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5820-2},\n\tabstract = {The development and use of a fast method employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) for the quantitative analysis of caffeine in various coffee samples has been demonstrated in this study. A simple sample extraction procedure employing hot water was followed by direct, high-throughput (\\&lt;1 min per run) examination of the extracts spread on a glass rod under optimized conditions of ambient mass spectrometry, without any prior chromatographic separation. For quantification of caffeine using DART-TOFMS, an external calibration was used. Isotopically labeled caffeine was used to compensate for the variations of the ion intensities of caffeine signal. Recoveries of the DART-TOFMS method were 97\\% for instant coffee at the spiking levels of 20 and 60 mg/g, respectively, while for roasted ground coffee, the obtained values were 106\\% and 107\\% at the spiking levels of 10 and 30 mg/g, respectively. The repeatability of the whole analytical procedure (expressed as relative standard deviation, RSD, \\%) was \\&lt;5\\% for all tested spiking levels and matrices. Since the linearity range of the method was relatively narrow (two orders of magnitude), an optimization of sample dilution prior the DART-TOFMS measurement to avoid saturation of the detector was needed.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Danhelova, Hana and Hradecky, Jaromir and Prinosilova, Sarka and Cajka, Tomas and Riddellova, Katerina and Vaclavik, Lukas and Hajslova, Jana},\n\tyear = {2012},\n\tpages = {1--7},\n}\n\n\n\n
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\n The development and use of a fast method employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) for the quantitative analysis of caffeine in various coffee samples has been demonstrated in this study. A simple sample extraction procedure employing hot water was followed by direct, high-throughput (<1 min per run) examination of the extracts spread on a glass rod under optimized conditions of ambient mass spectrometry, without any prior chromatographic separation. For quantification of caffeine using DART-TOFMS, an external calibration was used. Isotopically labeled caffeine was used to compensate for the variations of the ion intensities of caffeine signal. Recoveries of the DART-TOFMS method were 97% for instant coffee at the spiking levels of 20 and 60 mg/g, respectively, while for roasted ground coffee, the obtained values were 106% and 107% at the spiking levels of 10 and 30 mg/g, respectively. The repeatability of the whole analytical procedure (expressed as relative standard deviation, RSD, %) was <5% for all tested spiking levels and matrices. Since the linearity range of the method was relatively narrow (two orders of magnitude), an optimization of sample dilution prior the DART-TOFMS measurement to avoid saturation of the detector was needed.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry combined with single-drop liquid–liquid–liquid microextraction for the rapid analysis of multiple phytohormones in fruit juice.\n \n \n \n \n\n\n \n Bai, Y.; Zhang, J.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–8. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{bai_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry combined with single-drop liquid–liquid–liquid microextraction for the rapid analysis of multiple phytohormones in fruit juice},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5728-x},\n\tdoi = {10.1007/s00216-012-5728-x},\n\tabstract = {A rapid, simple, and efficient method for the fast determination of multiple phytohormones was developed in this work, based on single-drop liquid–liquid–liquid microextraction (SD-LLLME) combined with direct analysis in real-time mass spectrometry (DART-MS). Six phytohormones—indole-3-acetic acid (IAA), indole-3-butyric acid (IBA), jasmonic acid (JA), salicylic acid (SA), abscisic acid (ABA), and gibberellin A 3 (GA 3 )—were analyzed simultaneously using this method, and the conditions employed for DART-MS and SD-LLLME were optimized systematically. Satisfactory results were obtained in terms of linearity ( R 2 values for all phytohormones were 0.991–0.996), sensitivity (limits of detection were 0.65–72 ng/mL), and repeatability (RSD values were 6.9–14\\%). In addition, the proposed method was applied to determine the endogenous phytohormones in three kinds of fruit juice. Different concentrations of phytohormones were detected with satisfactory recoveries, and the whole analytical procedure took no more than 30 min. Therefore, this combination of SD-LLLME and DART-MS was shown to be a suitable and effective approach for the fast analysis of targets present at trace level concentrations in complex matrices.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Bai, Yu and Zhang, Jialing and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {Chemistry and Materials Science},\n\tpages = {1--8},\n}\n\n\n\n
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\n A rapid, simple, and efficient method for the fast determination of multiple phytohormones was developed in this work, based on single-drop liquid–liquid–liquid microextraction (SD-LLLME) combined with direct analysis in real-time mass spectrometry (DART-MS). Six phytohormones—indole-3-acetic acid (IAA), indole-3-butyric acid (IBA), jasmonic acid (JA), salicylic acid (SA), abscisic acid (ABA), and gibberellin A 3 (GA 3 )—were analyzed simultaneously using this method, and the conditions employed for DART-MS and SD-LLLME were optimized systematically. Satisfactory results were obtained in terms of linearity ( R 2 values for all phytohormones were 0.991–0.996), sensitivity (limits of detection were 0.65–72 ng/mL), and repeatability (RSD values were 6.9–14%). In addition, the proposed method was applied to determine the endogenous phytohormones in three kinds of fruit juice. Different concentrations of phytohormones were detected with satisfactory recoveries, and the whole analytical procedure took no more than 30 min. Therefore, this combination of SD-LLLME and DART-MS was shown to be a suitable and effective approach for the fast analysis of targets present at trace level concentrations in complex matrices.\n
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\n \n\n \n \n \n \n \n \n Novel approaches to analysis of 3-chloropropane-1,2-diol esters in vegetable oils.\n \n \n \n \n\n\n \n Moravcova, E.; Vaclavik, L.; Lacina, O.; Hrbek, V.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 402(9): 2871–2883. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"NovelPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{moravcova_novel_2012,\n\ttitle = {Novel approaches to analysis of 3-chloropropane-1,2-diol esters in vegetable oils},\n\tvolume = {402},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5732-1},\n\tdoi = {10.1007/s00216-012-5732-1},\n\tabstract = {A sensitive and accurate method utilizing ultra-high performance liquid chromatography (U-HPLC) coupled to high resolution mass spectrometry based on orbitrap technology (orbitrapMS) for the analysis of nine 3-chloropropane-1,2-diol (3-MCPD) diesters in vegetable oils was developed. To remove the interfering triacylglycerols that induce strong matrix effects, a clean-up step on silica gel column was used. The quantitative analysis was performed with the use of deuterium-labeled internal standards. The lowest calibration levels estimated for the respective analytes ranged from 2 to 5 μg kg −1 . Good recovery values (89–120\\%) and repeatability (RSD 5–9\\%) was obtained at spiking levels of 2 and 10 mg kg −1 . As an alternative, a novel ambient desorption ionization technique, direct analysis in real time (DART), hyphenated with orbitrapMS, was employed for no separation, high-throughput, semi-quantitative screening of 3-MCPD diesters in samples obtained by chromatographic fractionation. Additionally, the levels of 3-MCPD diesters measured in real-life vegetable oil samples (palm oil, sunflower oil, rapeseed oil) using both methods are reported. Relatively good agreement of the data generated by U-HPLC-orbitrapMS and DART-orbitrapMS were observed. With regard to a low ionization yield achieved for 3-MCPD monoesters, the methods presented in this paper were not yet applicable for the analysis of these contaminants at the naturally occurring levels.},\n\tnumber = {9},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Moravcova, Eliska and Vaclavik, Lukas and Lacina, Ondrej and Hrbek, Vojtech and Riddellova, Katerina and Hajslova, Jana},\n\tyear = {2012},\n\tkeywords = {3-MCPD esters; Vegetable oils; U-HPLC-MS; DART-MS; orbitrap, Chemistry and Materials Science},\n\tpages = {2871--2883},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n A sensitive and accurate method utilizing ultra-high performance liquid chromatography (U-HPLC) coupled to high resolution mass spectrometry based on orbitrap technology (orbitrapMS) for the analysis of nine 3-chloropropane-1,2-diol (3-MCPD) diesters in vegetable oils was developed. To remove the interfering triacylglycerols that induce strong matrix effects, a clean-up step on silica gel column was used. The quantitative analysis was performed with the use of deuterium-labeled internal standards. The lowest calibration levels estimated for the respective analytes ranged from 2 to 5 μg kg −1 . Good recovery values (89–120%) and repeatability (RSD 5–9%) was obtained at spiking levels of 2 and 10 mg kg −1 . As an alternative, a novel ambient desorption ionization technique, direct analysis in real time (DART), hyphenated with orbitrapMS, was employed for no separation, high-throughput, semi-quantitative screening of 3-MCPD diesters in samples obtained by chromatographic fractionation. Additionally, the levels of 3-MCPD diesters measured in real-life vegetable oil samples (palm oil, sunflower oil, rapeseed oil) using both methods are reported. Relatively good agreement of the data generated by U-HPLC-orbitrapMS and DART-orbitrapMS were observed. With regard to a low ionization yield achieved for 3-MCPD monoesters, the methods presented in this paper were not yet applicable for the analysis of these contaminants at the naturally occurring levels.\n
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\n \n\n \n \n \n \n \n \n Assessing the capabilities of direct analysis in real time mass spectrometry for 5-hydroxymethylfurfural quantitation in honey.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 314(0): 22–32. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AssessingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{chernetsova_assessing_2012,\n\ttitle = {Assessing the capabilities of direct analysis in real time mass spectrometry for 5-hydroxymethylfurfural quantitation in honey},\n\tvolume = {314},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380612000280},\n\tdoi = {10.1016/j.ijms.2012.01.012},\n\tabstract = {The limitations of direct analysis in real time mass spectrometry (DART-MS) were shown with the example of 5-hydroxymethylfurfural (HMF) quantitation in honey. An accurate analyte quantitation was impossible because the carbohydrate matrix partially degraded to the analyte in the ionization region. However, at a decreased DART temperature of 150\\&\\#xa0;°C, the DART-MS screening was possible using two spiked reference samples. The influence of instrumental parameters on the composition of the DART mass spectra for HMF and carbohydrates was investigated. Also, first data on scanning surface analysis with DART-MS were obtained giving rise for further studies in this direction.},\n\tnumber = {0},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tyear = {2012},\n\tkeywords = {5-Hydroxymethylfurfural, Carbohydrates, Direct analysis in real time mass spectrometry, Direct analysis in real time mass spectrometry; Honey; 5-Hydroxymethylfurfural; HMF; Carbohydrates; Screening assays, HMF, Honey, Screening},\n\tpages = {22--32},\n}\n\n\n\n
\n
\n\n\n
\n The limitations of direct analysis in real time mass spectrometry (DART-MS) were shown with the example of 5-hydroxymethylfurfural (HMF) quantitation in honey. An accurate analyte quantitation was impossible because the carbohydrate matrix partially degraded to the analyte in the ionization region. However, at a decreased DART temperature of 150 °C, the DART-MS screening was possible using two spiked reference samples. The influence of instrumental parameters on the composition of the DART mass spectra for HMF and carbohydrates was investigated. Also, first data on scanning surface analysis with DART-MS were obtained giving rise for further studies in this direction.\n
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\n \n\n \n \n \n \n \n \n Analysis of isoflavones in soybeans employing direct analysis in real-time ionization–high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Lojza, J.; Cajka, T.; Schulzova, V.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Separation Science, 35(3): 476–481. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{lojza_analysis_2012,\n\ttitle = {Analysis of isoflavones in soybeans employing direct analysis in real-time ionization–high-resolution mass spectrometry},\n\tvolume = {35},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.201100882},\n\tdoi = {10.1002/jssc.201100882},\n\tabstract = {A direct analysis in real-time (DART) ion source coupled to a high-resolution orbitrap mass spectrometer was used for the quantitative analysis of isoflavones isolated from soybeans. For the isolation of genistein, daidzein, glycitein, and their respective acetyl, malonyl, and glucoside forms, an extraction employing 80\\% aqueous MeOH enhanced by sonication was used. As far as the total isoflavones (expressed as aglycones) were to be determined, an acid hydrolysis with 80\\% aqueous EtOH and refluxing had to be employed, while in the latter case a good agreement of the results with the data generated by the UHPLC-orbitrap MS method was achieved, in the case of the analysis of non-hydrolyzed extracts, some overestimation of the results as compared with those generated by UHPLC-orbitrap MS was observed. A careful investigation of this phenomenon showed that the free aglycones originated from the conjugated forms of isoflavones in the DART ion source, thus contributing significantly to the “free” genistein/daidzein/glycitein signals during the DART analysis. Good recoveries (95–102\\%) and repeatabilities (RSD: 7–15\\%) were obtained at the spiking levels of 0.5, 1, and 0.05 g/kg, for daidzein, genistein, and glycitein, respectively. The limits of detection estimated for the respective analytes were 5 mg/kg.},\n\tnumber = {3},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Lojza, Jaromir and Cajka, Tomas and Schulzova, Vera and Riddellova, Katerina and Hajslova, Jana},\n\tyear = {2012},\n\tkeywords = {Ambient mass spectrometry, Ambient mass spectrometry; Direct analysis in real time; Isoflavones; Phytoestrogens; Soybean; orbitrap, Direct analysis in real time, Isoflavones, Phytoestrogens, Soybean},\n\tpages = {476--481},\n}\n\n\n\n
\n
\n\n\n
\n A direct analysis in real-time (DART) ion source coupled to a high-resolution orbitrap mass spectrometer was used for the quantitative analysis of isoflavones isolated from soybeans. For the isolation of genistein, daidzein, glycitein, and their respective acetyl, malonyl, and glucoside forms, an extraction employing 80% aqueous MeOH enhanced by sonication was used. As far as the total isoflavones (expressed as aglycones) were to be determined, an acid hydrolysis with 80% aqueous EtOH and refluxing had to be employed, while in the latter case a good agreement of the results with the data generated by the UHPLC-orbitrap MS method was achieved, in the case of the analysis of non-hydrolyzed extracts, some overestimation of the results as compared with those generated by UHPLC-orbitrap MS was observed. A careful investigation of this phenomenon showed that the free aglycones originated from the conjugated forms of isoflavones in the DART ion source, thus contributing significantly to the “free” genistein/daidzein/glycitein signals during the DART analysis. Good recoveries (95–102%) and repeatabilities (RSD: 7–15%) were obtained at the spiking levels of 0.5, 1, and 0.05 g/kg, for daidzein, genistein, and glycitein, respectively. The limits of detection estimated for the respective analytes were 5 mg/kg.\n
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\n \n\n \n \n \n \n \n \n Chemometric Classification of Morphologically Similar Umbelliferae Medicinal Herbs by DART-TOF-MS Fingerprint.\n \n \n \n \n\n\n \n Lee, S. M.; Kim, H.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,n/a. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ChemometricPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{lee_chemometric_2012,\n\ttitle = {Chemometric {Classification} of {Morphologically} {Similar} {Umbelliferae} {Medicinal} {Herbs} by {DART}-{TOF}-{MS} {Fingerprint}},\n\tissn = {1099-1565},\n\turl = {http://dx.doi.org/10.1002/pca.2348},\n\tdoi = {10.1002/pca.2348},\n\tabstract = {Introduction\nIt needs many years of special training to gain expertise on the organoleptic classification of botanical raw materials and, even for those experts, discrimination among Umbelliferae medicinal herbs remains an intricate challenge due to their morphological similarity. \nObjective\nTo develop a new chemometric classification method using a direct analysis in real time–time of flight–mass spectrometry (DART-TOF-MS) fingerprinting for Umbelliferae medicinal herbs and to provide a platform for its application to the discrimination of other herbal medicines. \nMethodology\nAngelica tenuissima, Angelica gigas, Angelica dahurica and Cnidium officinale were chosen for this study and ten samples of each species were purchased from various Korean markets. DART-TOF-MS was employed on powdered raw materials to obtain a chemical fingerprint of each sample and the orthogonal partial-least squares method in discriminant analysis (OPLS-DA) was used for multivariate analysis. \nResults\nAll samples of collected species were successfully discriminated from each other according to their characteristic DART-TOF-MS fingerprint. Decursin (or decursinol angelate) and byakangelicol were identified as marker molecules for Angelica gigas and A. dahurica, respectively. Using the OPLS method for discriminant analysis, Angelica tenuissima and Cnidium officinale were clearly separated into two groups. Angelica tenuissima was characterised by the presence of ligustilide and unidentified molecular ions of m/z 239 and 283, while senkyunolide A together with signals with m/z 387 and 389 were the marker compounds for Cnidium officinale. \nConclusion\nElaborating with chemoinformatics, DART-TOF-MS fingerprinting with chemoinformatic tools results in a powerful method for the classification of morphologically similar Umbelliferae medicinal herbs and quality control of medicinal herbal products, including the extracts of these crude drugs. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Lee, Sang Min and Kim, Hye-Jin and Jang, Young Pyo},\n\tyear = {2012},\n\tkeywords = {DART-TOF-MS, DART-TOF-MS; multivariate analysis; OPLS-DA; metabolomics; Umbelliferae; AccuTOF, OPLS-DA, Umbelliferae, metabolomics, multivariate analysis},\n\tpages = {n/a},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Introduction It needs many years of special training to gain expertise on the organoleptic classification of botanical raw materials and, even for those experts, discrimination among Umbelliferae medicinal herbs remains an intricate challenge due to their morphological similarity. Objective To develop a new chemometric classification method using a direct analysis in real time–time of flight–mass spectrometry (DART-TOF-MS) fingerprinting for Umbelliferae medicinal herbs and to provide a platform for its application to the discrimination of other herbal medicines. Methodology Angelica tenuissima, Angelica gigas, Angelica dahurica and Cnidium officinale were chosen for this study and ten samples of each species were purchased from various Korean markets. DART-TOF-MS was employed on powdered raw materials to obtain a chemical fingerprint of each sample and the orthogonal partial-least squares method in discriminant analysis (OPLS-DA) was used for multivariate analysis. Results All samples of collected species were successfully discriminated from each other according to their characteristic DART-TOF-MS fingerprint. Decursin (or decursinol angelate) and byakangelicol were identified as marker molecules for Angelica gigas and A. dahurica, respectively. Using the OPLS method for discriminant analysis, Angelica tenuissima and Cnidium officinale were clearly separated into two groups. Angelica tenuissima was characterised by the presence of ligustilide and unidentified molecular ions of m/z 239 and 283, while senkyunolide A together with signals with m/z 387 and 389 were the marker compounds for Cnidium officinale. Conclusion Elaborating with chemoinformatics, DART-TOF-MS fingerprinting with chemoinformatic tools results in a powerful method for the classification of morphologically similar Umbelliferae medicinal herbs and quality control of medicinal herbal products, including the extracts of these crude drugs. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Coupling of planar chromatography with Direct Analysis in Real Time mass spectrometry.\n \n \n \n \n\n\n \n Morlock, G.; and Chernetsova, E.\n\n\n \n\n\n\n Central European Journal of Chemistry, 10(3): 703–710. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"CouplingPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{morlock_coupling_2012,\n\ttitle = {Coupling of planar chromatography with {Direct} {Analysis} in {Real} {Time} mass spectrometry},\n\tvolume = {10},\n\tissn = {1895-1066},\n\turl = {http://dx.doi.org/10.2478/s11532-012-0025-2},\n\tabstract = {Direct Analysis in Real Time mass spectrometry (DART-MS) is an emerging and rapidly developing area of ambient desorption ionization mass spectrometric techniques. Its coupling with planar chromatography is especially promising, as compared to other ambient desorption ionization techniques, because it does not require the use of liquids that may distort the shape of a spot by diffusion effects. In the first publications on TLC/HPTLC-DART-MS, due to the fixed, horizontally aligned supply of the gas flow from the DART ionization source to the MS inlet, the introduction of HPTLC/TLC plates as cut strips was inconvenient for quantitation, and the repeatability was very low due to the manual positioning. Recently a new version of the DART ion source was suggested, which allows adjusting the angle of the DART gas stream and the use of a motorized rail, thereby, improving highly the capabilities of TLC/HPTLC-DART-MS. This comprehensive review describes the development and analytical capabilities of TLC/HPTLC-DART-MS, and the general DART-MS perspectives for surface analysis or imaging MS.},\n\tnumber = {3},\n\tjournal = {Central European Journal of Chemistry},\n\tauthor = {Morlock, Gertrud and Chernetsova, Elena},\n\tyear = {2012},\n\tpages = {703--710},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time mass spectrometry (DART-MS) is an emerging and rapidly developing area of ambient desorption ionization mass spectrometric techniques. Its coupling with planar chromatography is especially promising, as compared to other ambient desorption ionization techniques, because it does not require the use of liquids that may distort the shape of a spot by diffusion effects. In the first publications on TLC/HPTLC-DART-MS, due to the fixed, horizontally aligned supply of the gas flow from the DART ionization source to the MS inlet, the introduction of HPTLC/TLC plates as cut strips was inconvenient for quantitation, and the repeatability was very low due to the manual positioning. Recently a new version of the DART ion source was suggested, which allows adjusting the angle of the DART gas stream and the use of a motorized rail, thereby, improving highly the capabilities of TLC/HPTLC-DART-MS. This comprehensive review describes the development and analytical capabilities of TLC/HPTLC-DART-MS, and the general DART-MS perspectives for surface analysis or imaging MS.\n
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\n \n\n \n \n \n \n \n \n DART-Orbitrap MS: a novel mass spectrometric approach for the identification of phenolic compounds in propolis.\n \n \n \n \n\n\n \n Chernetsova, E.; Bromirski, M.; Scheibner, O.; and Morlock, G.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–9. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DART-OrbitrapPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_dart-orbitrap_2012,\n\ttitle = {{DART}-{Orbitrap} {MS}: a novel mass spectrometric approach for the identification of phenolic compounds in propolis},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5800-6},\n\tabstract = {This is the first direct analysis in real-time mass spectrometry (DART-MS) study of propolis and a first study on the analysis of bee products using high-resolution DART-MS (DART-HRMS). Identification of flavonoids and other phenolic compounds in propolis using direct analysis in real-time coupling with Orbitrap mass spectrometry (DART-Orbitrap MS) was performed in the negative ion mode for minimizing the matrix effects, while the positive ion mode was used for the confirmation of selected compounds. Possible elemental formulae were suggested for marker components. The duration of one sample analysis by DART-MS analysis lasted ca . 30 s, and all benefits of high-resolution mass spectrometry were used upon data processing using the coupling of DART with the Orbitrap mass spectrometer. The possibility for scanning analysis of dried propolis extract spots on a planar porous surface was investigated in the heated gas flow of the DART ion source with adjustable angle. As an independent method, the approach of scanning analysis is of high interest and of future potential for confirmation of the results obtained from liquid sample analysis. Scanning analysis is highly promising for further development in the bioanalytical field due to the convenience of the storage and transportation of dried sample spots.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Chernetsova, Elena and Bromirski, Maciej and Scheibner, Olaf and Morlock, Gertrud},\n\tyear = {2012},\n\tpages = {1--9},\n}\n\n\n\n
\n
\n\n\n
\n This is the first direct analysis in real-time mass spectrometry (DART-MS) study of propolis and a first study on the analysis of bee products using high-resolution DART-MS (DART-HRMS). Identification of flavonoids and other phenolic compounds in propolis using direct analysis in real-time coupling with Orbitrap mass spectrometry (DART-Orbitrap MS) was performed in the negative ion mode for minimizing the matrix effects, while the positive ion mode was used for the confirmation of selected compounds. Possible elemental formulae were suggested for marker components. The duration of one sample analysis by DART-MS analysis lasted ca . 30 s, and all benefits of high-resolution mass spectrometry were used upon data processing using the coupling of DART with the Orbitrap mass spectrometer. The possibility for scanning analysis of dried propolis extract spots on a planar porous surface was investigated in the heated gas flow of the DART ion source with adjustable angle. As an independent method, the approach of scanning analysis is of high interest and of future potential for confirmation of the results obtained from liquid sample analysis. Scanning analysis is highly promising for further development in the bioanalytical field due to the convenience of the storage and transportation of dried sample spots.\n
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\n \n\n \n \n \n \n \n \n Rapid control of Chinese star anise fruits and teas for neurotoxic anisatin by Direct Analysis in Real Time (DART) high resolution mass spectrometry.\n \n \n \n \n\n\n \n Shen, Y.; van Beek, T. A.; Claassen, F. W.; Zuilhof, H.; Chen, B.; and Nielen, M. W.\n\n\n \n\n\n\n Journal of Chromatography A, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{shen_rapid_2012,\n\ttitle = {Rapid control of {Chinese} star anise fruits and teas for neurotoxic anisatin by {Direct} {Analysis} in {Real} {Time} ({DART}) high resolution mass spectrometry},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967312004712},\n\tdoi = {10.1016/j.chroma.2012.03.058},\n\tabstract = {After ingestion, products containing Chinese star anise (Illicium verum) contaminated or adulterated with Japanese star anise (Illicium anisatum) or other Illicium species, can cause epilepsy, hallucinations, and nausea due to the rare neurotoxic sesquiterpene dilactone anisatin that is present in Japanese star anise. Thus a rapid, simple and unambiguous method for distinguishing between the morphologically similar Chinese star anise and toxic Japanese star anise is important for food safety issues. Direct Analysis in Real Time (DART) ambient ionisation coupled with orbitrap high resolution mass spectrometry allowed the recording of mass spectra of anisatin in solid star anise fruits in seconds without any prior sample pretreatment. Spectra could be obtained in both positive ([M+NH4]+ at m/z 346.1496, C15H24NO8) and negative mode ([M−H]− at m/z 327.1074, C15H19O8) and gave the same outcome provided a mass resolution of at least 27,000 is available. The anisatin signal was typically \\&gt;1000 times larger in Japanese star anise than in Chinese star anise thus allowing an unequivocal qualitative determination. Herbal teas containing star anise fragments too small to be visually recognised, could be analysed by preparing a tea in 6\\&\\#xa0;min and subsequently sampling ∼2\\&\\#xa0;μL of tea on a glass rod. None of the 8 investigated retail teas contained significant quantities of anisatin. Spiking a complex herbal tea containing Chinese star anise with an equally concentrated tea prepared from Japanese star anise provided a linear calibration curve (R2\\&\\#xa0;≥\\&\\#xa0;0.995) after normalising on a native constituent of Chinese star anise (standard addition method). This showed that adulteration down to 1\\% (w/w) is still measurable. Compared with existing PCR, TLC, GC–MS and HPLC–ESI-MS/MS procedures, the proposed DART–HRMS procedure is faster and simpler and moreover measures the actual biotoxin.},\n\tnumber = {0},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Shen, Yao and van Beek, Teris A. and Claassen, Frank W. and Zuilhof, Han and Chen, Bo and Nielen, Michel W.F.},\n\tyear = {2012},\n\tkeywords = {Anisatin, Biotoxin, DART, Food analysis, Star anise, mass spectrometry},\n}\n\n\n\n
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\n After ingestion, products containing Chinese star anise (Illicium verum) contaminated or adulterated with Japanese star anise (Illicium anisatum) or other Illicium species, can cause epilepsy, hallucinations, and nausea due to the rare neurotoxic sesquiterpene dilactone anisatin that is present in Japanese star anise. Thus a rapid, simple and unambiguous method for distinguishing between the morphologically similar Chinese star anise and toxic Japanese star anise is important for food safety issues. Direct Analysis in Real Time (DART) ambient ionisation coupled with orbitrap high resolution mass spectrometry allowed the recording of mass spectra of anisatin in solid star anise fruits in seconds without any prior sample pretreatment. Spectra could be obtained in both positive ([M+NH4]+ at m/z 346.1496, C15H24NO8) and negative mode ([M−H]− at m/z 327.1074, C15H19O8) and gave the same outcome provided a mass resolution of at least 27,000 is available. The anisatin signal was typically >1000 times larger in Japanese star anise than in Chinese star anise thus allowing an unequivocal qualitative determination. Herbal teas containing star anise fragments too small to be visually recognised, could be analysed by preparing a tea in 6 min and subsequently sampling ∼2 μL of tea on a glass rod. None of the 8 investigated retail teas contained significant quantities of anisatin. Spiking a complex herbal tea containing Chinese star anise with an equally concentrated tea prepared from Japanese star anise provided a linear calibration curve (R2 ≥ 0.995) after normalising on a native constituent of Chinese star anise (standard addition method). This showed that adulteration down to 1% (w/w) is still measurable. Compared with existing PCR, TLC, GC–MS and HPLC–ESI-MS/MS procedures, the proposed DART–HRMS procedure is faster and simpler and moreover measures the actual biotoxin.\n
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\n \n\n \n \n \n \n \n \n Evaluating a direct swabbing method for screening pesticides on fruit and vegetable surfaces using direct analysis in real time (DART) coupled to an Exactive benchtop orbitrap mass spectrometer.\n \n \n \n \n\n\n \n Crawford, E.; and Musselman, B.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{crawford_evaluating_2012,\n\ttitle = {Evaluating a direct swabbing method for screening pesticides on fruit and vegetable surfaces using direct analysis in real time ({DART}) coupled to an {Exactive} benchtop orbitrap mass spectrometer},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5853-6},\n\tdoi = {10.1007/s00216-012-5853-6},\n\tabstract = {Rapid screening of pesticides present on the surfaces of fruits and vegetables has been facilitated by using a Direct Analysis in Real Time (DART®) open air surface desorption ionization source coupled to an Exactive® high-resolution accurate mass benchtop orbitrap mass spectrometer. The use of cotton and polyester cleaning swabs to collect and retain pesticides for subsequent open air desorption ionization is demonstrated by sampling the surface of various produce to which solutions of pesticides have been applied at levels 10 and 100 times below the tolerance levels established by the United States Environmental Protection Agency (US EPA). Samples analyzed include cherry tomatoes, oranges, peaches and carrots each chosen for their surface characteristics which include: smooth, pitted, fuzzy, and rough respectively. Results from the direct analysis of fungicides on store-bought oranges are also described. In all cases, the swabs were introduced directly into the heated ionizing gas of the DART source resulting in production of protonated pesticide molecules within seconds of sampling. Operation of the orbitrap mass spectrometer at 25,000 full-width half maximum resolution was sufficient to generate high-quality accurate mass data. Stable external mass calibration eliminated the need for addition of standards typically required for mass calibration, thus allowing multiple analyses to be completed without instrument recalibration.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Crawford, Elizabeth and Musselman, Brian},\n\tyear = {2012},\n\tkeywords = {Chemistry and Materials Science},\n\tpages = {1--6},\n}\n\n\n\n
\n
\n\n\n
\n Rapid screening of pesticides present on the surfaces of fruits and vegetables has been facilitated by using a Direct Analysis in Real Time (DART®) open air surface desorption ionization source coupled to an Exactive® high-resolution accurate mass benchtop orbitrap mass spectrometer. The use of cotton and polyester cleaning swabs to collect and retain pesticides for subsequent open air desorption ionization is demonstrated by sampling the surface of various produce to which solutions of pesticides have been applied at levels 10 and 100 times below the tolerance levels established by the United States Environmental Protection Agency (US EPA). Samples analyzed include cherry tomatoes, oranges, peaches and carrots each chosen for their surface characteristics which include: smooth, pitted, fuzzy, and rough respectively. Results from the direct analysis of fungicides on store-bought oranges are also described. In all cases, the swabs were introduced directly into the heated ionizing gas of the DART source resulting in production of protonated pesticide molecules within seconds of sampling. Operation of the orbitrap mass spectrometer at 25,000 full-width half maximum resolution was sufficient to generate high-quality accurate mass data. Stable external mass calibration eliminated the need for addition of standards typically required for mass calibration, thus allowing multiple analyses to be completed without instrument recalibration.\n
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\n \n\n \n \n \n \n \n \n Ambient Ionization–Accurate Mass Spectrometry (AMI-AMS) for the Identification of Nonvisible Set-off in Food-Contact Materials.\n \n \n \n \n\n\n \n Bentayeb, K.; Ackerman, L. K.; and Begley, T. H.\n\n\n \n\n\n\n J. Agric. Food Chem., 60(8): 1914–1920. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bentayeb_ambient_2012,\n\ttitle = {Ambient {Ionization}–{Accurate} {Mass} {Spectrometry} ({AMI}-{AMS}) for the {Identification} of {Nonvisible} {Set}-off in {Food}-{Contact} {Materials}},\n\tvolume = {60},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf204456z},\n\tdoi = {10.1021/jf204456z},\n\tabstract = {Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.\nSet-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.},\n\tnumber = {8},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Bentayeb, Karim and Ackerman, Luke K. and Begley, Timothy H.},\n\tyear = {2012},\n\tpages = {1914--1920},\n}\n\n\n\n
\n
\n\n\n
\n Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging. Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry: rapid analysis of soft medicinal formulations.\n \n \n \n \n\n\n \n Abramovich, R.; and Revel’skii, I.\n\n\n \n\n\n\n Pharmaceutical Chemistry Journal, 45(11): 698–700. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{abramovich_dart_2012,\n\ttitle = {{DART} mass spectrometry: rapid analysis of soft medicinal formulations},\n\tvolume = {45},\n\tissn = {0091-150X},\n\turl = {http://dx.doi.org/10.1007/s11094-012-0705-4},\n\tabstract = {The possibility of using the DART mass spectrometry method for rapid analysis of soft medicinal formulations is considered. Studies of “tetracycline”, “Sintomycin Liniment”, and “Levomecol” creams and suppositories based on hard fat were studied. The possibility of using this method for the rapid screening of medicinal formulations in search of counterfeits is discussed. This is the first report of the analysis of suppositories using DART mass spectrometry.},\n\tnumber = {11},\n\tjournal = {Pharmaceutical Chemistry Journal},\n\tauthor = {Abramovich, R. and Revel’skii, I.},\n\tyear = {2012},\n\tpages = {698--700},\n}\n\n\n\n
\n
\n\n\n
\n The possibility of using the DART mass spectrometry method for rapid analysis of soft medicinal formulations is considered. Studies of “tetracycline”, “Sintomycin Liniment”, and “Levomecol” creams and suppositories based on hard fat were studied. The possibility of using this method for the rapid screening of medicinal formulations in search of counterfeits is discussed. This is the first report of the analysis of suppositories using DART mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of synthetic cannabinoids in herbal samples via direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Musah, R. A.; Domin, M. A.; Walling, M. A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1109–1114. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{musah_rapid_2012,\n\ttitle = {Rapid identification of synthetic cannabinoids in herbal samples via direct analysis in real time mass spectrometry},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6205},\n\tdoi = {10.1002/rcm.6205},\n\tabstract = {RATIONALE\nDozens of synthetic cannabinoid analogs purposefully meant to circumvent legal restrictions associated with controlled substances continue to be manufactured and promoted as producing 'legal highs'. These designer drugs are difficult to identify in conventional drug screens not only because routine protocols have not been developed for their detection, but also because their association with complex plant matrices during manufacture generally requires labor-intensive extraction and sample preparation for analysis. To address this new and important challenge in forensic chemistry, Direct Analysis in Real Time Mass Spectrometry (DART-MS) is applied to the analysis of these designer drugs. \nMETHODS\nDART-MS was employed to sample synthetic cannabinoids directly on botanical matrices. The ambient ionization method associated with DART-MS permitted the analysis of solid herbal samples directly, without the need for extraction or sample preparation. The high mass resolution time-of-flight analyzer allowed identification of these substances despite their presence within a complex matrix and enabled differentiation of closely related analogs. \nRESULTS\nDART-MS was performed to rapidly identify the synthetic cannabinoids AM-251 and JWH-015. For each cannabinoid, three hundred micrograms (300 µg) of material was easily detected within an excess of background matrix by mass. \nCONCLUSIONS\nNew variations of herbal blends containing a wide range of base components and laced with synthetic cannabinoids are being produced, making their presence difficult to track by conventional methods. DART-MS permits rapid identification of trace synthetic cannabinoids within complex biological matrices, with excellent sensitivity and specificity compared with standard methods. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Domin, Marek A. and Walling, Maureen A. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1109--1114},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Dozens of synthetic cannabinoid analogs purposefully meant to circumvent legal restrictions associated with controlled substances continue to be manufactured and promoted as producing 'legal highs'. These designer drugs are difficult to identify in conventional drug screens not only because routine protocols have not been developed for their detection, but also because their association with complex plant matrices during manufacture generally requires labor-intensive extraction and sample preparation for analysis. To address this new and important challenge in forensic chemistry, Direct Analysis in Real Time Mass Spectrometry (DART-MS) is applied to the analysis of these designer drugs. METHODS DART-MS was employed to sample synthetic cannabinoids directly on botanical matrices. The ambient ionization method associated with DART-MS permitted the analysis of solid herbal samples directly, without the need for extraction or sample preparation. The high mass resolution time-of-flight analyzer allowed identification of these substances despite their presence within a complex matrix and enabled differentiation of closely related analogs. RESULTS DART-MS was performed to rapidly identify the synthetic cannabinoids AM-251 and JWH-015. For each cannabinoid, three hundred micrograms (300 µg) of material was easily detected within an excess of background matrix by mass. CONCLUSIONS New variations of herbal blends containing a wide range of base components and laced with synthetic cannabinoids are being produced, making their presence difficult to track by conventional methods. DART-MS permits rapid identification of trace synthetic cannabinoids within complex biological matrices, with excellent sensitivity and specificity compared with standard methods. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization.\n \n \n \n\n\n \n He, X.; Xie, Z.; Gao, Y.; Hu, W.; Guo, L.; Jiang, L.; and Lu, Y.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 67: 64–73. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{he_mass_2012,\n\ttitle = {Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization},\n\tvolume = {67},\n\tabstract = {Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {He, X.N. and Xie, Z.Q. and Gao, Y. and Hu, W. and Guo, L.B. and Jiang, L. and Lu, Y.F.},\n\tyear = {2012},\n\tkeywords = {LI-TOFMS; DART; Laser-induced plasma; LIBS; AccuTOF},\n\tpages = {64--73},\n}\n\n\n\n
\n
\n\n\n
\n Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.\n
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\n\n\n
\n \n\n \n \n \n \n \n \n Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization.\n \n \n \n \n\n\n \n He, X.; Xie, Z.; Gao, Y.; Hu, W.; Guo, L.; Jiang, L.; and Lu, Y.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 67: 64–73. January 2012.\n \n\n\n\n
\n\n\n\n \n \n \"MassPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{he_mass_2012,\n\ttitle = {Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization},\n\tvolume = {67},\n\tissn = {05848547},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0584854712000055},\n\tdoi = {10.1016/j.sab.2012.01.003},\n\tabstract = {Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.},\n\tlanguage = {en},\n\turldate = {2016-01-28},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {He, X.N. and Xie, Z.Q. and Gao, Y. and Hu, W. and Guo, L.B. and Jiang, L. and Lu, Y.F.},\n\tmonth = jan,\n\tyear = {2012},\n\tkeywords = {LI-TOFMS; DART; Laser-induced plasma; LIBS; AccuTOF},\n\tpages = {64--73},\n}\n\n\n\n
\n
\n\n\n
\n Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.\n
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\n \n\n \n \n \n \n \n \n DART MS based chemical profiling for therapeutic potential of Piper betle landraces.\n \n \n \n \n\n\n \n Bajpai, V; Pandey, R; Negi, M.; Kumar, N; and Kumar, B\n\n\n \n\n\n\n Natural product communications, 7(12): 1627–1629. December 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{bajpai_dart_2012,\n\ttitle = {{DART} {MS} based chemical profiling for therapeutic potential of {Piper} betle landraces.},\n\tvolume = {7},\n\turl = {http://europepmc.org/abstract/MED/23413569},\n\tabstract = {Piper betle Linn. leaves are traditionally used as a folk medicine in India and other Asiatic countries. Twenty-one P. betle landraces were analyzed using a Direct Analysis in Real Time (DART) mass spectral technique and evaluated on the basis of molecules detected in the leaves. Clustering of landraces based on three well known biologically active phenols (m/z 151,165,193) showed two broad groups with high and low phenol contents suggesting differences in their therapeutic potential. Findings of this study could be useful in rapid screening of the landraces for determining their medicinal potential and optimum utilization of the bioresource.},\n\tnumber = {12},\n\tjournal = {Natural product communications},\n\tauthor = {Bajpai, V and Pandey, R and Negi, MP and Kumar, N and Kumar, B},\n\tmonth = dec,\n\tyear = {2012},\n\tkeywords = {Calibration, Computer Systems, Drug Evaluation, Preclinical, Oils, Volatile, Phenols, Piper betle, Plant Leaves, Software, mass spectrometry},\n\tpages = {1627--1629},\n}\n\n\n\n
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\n Piper betle Linn. leaves are traditionally used as a folk medicine in India and other Asiatic countries. Twenty-one P. betle landraces were analyzed using a Direct Analysis in Real Time (DART) mass spectral technique and evaluated on the basis of molecules detected in the leaves. Clustering of landraces based on three well known biologically active phenols (m/z 151,165,193) showed two broad groups with high and low phenol contents suggesting differences in their therapeutic potential. Findings of this study could be useful in rapid screening of the landraces for determining their medicinal potential and optimum utilization of the bioresource.\n
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\n \n\n \n \n \n \n \n \n Online Coupling of Capillary Electrophoresis with Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Chang, C.; Xu, G.; Bai, Y.; Zhang, C.; Li, X.; Li, M.; Liu, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical Chemistry. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"OnlinePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chang_online_2012,\n\ttitle = {Online {Coupling} of {Capillary} {Electrophoresis} with {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac303450v},\n\tdoi = {10.1021/ac303450v},\n\tabstract = {The online coupling of capillary electrophoresis with ambient direct analysis in real time mass spectrometry (DART-MS) was realized by a coaxial tip interface. The analytes eluted from CE were directly ionized by the metastable helium flux produced by DART and transferred into MS for the detection, with which the online separation and simultaneous detection were achieved. The CE-DART-MS can tolerate higher concentrations of detergents and salts than traditional CE-ESI-MS and avoided the difficulties of collecting CE effluent and cleaning the interface, which simplified the experimental procedures and shortened the analysis time. The performance of the technique was successfully verified by capillary zone electrophoresis (CZE) and micellar electrokinetic chromatography (MEKC) using a mixture of 4-aminoantipyrine, zolmitriptan and quinine. This online technique showed good repeatability with the RSDs (n=5) of 0.56{\\textasciitilde}1.23\\% for the retention times and 2.01{\\textasciitilde}7.41\\% for the peak areas. The quantitative analysis of 4-aminoantipyrine was accomplished in the range of 0.01{\\textasciitilde}0.50 mg/mL with the linear correlation coefficient of 0.9995 and limit of detection of 14.7 fmol. Compared with CE-ESI-MS, the ion suppression effects of non-volatile salts and detergents were efficiently minimized. The signal intensity remained constant when the concentrations reached 100 mM for sodium borate and 30 mM for SDS (in 30 mM sodium borate buffer). In addition, the proposed method was successfully applied to the detection of the endogenous caffeine in the Chinese white tea.},\n\turldate = {2012-12-04},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Chang, Cuilan and Xu, Gege and Bai, Yu and Zhang, Chengsen and Li, Xianjiang and Li, Min and Liu, Yi and Liu, Huwei},\n\tmonth = nov,\n\tyear = {2012},\n}\n\n\n\n
\n
\n\n\n
\n The online coupling of capillary electrophoresis with ambient direct analysis in real time mass spectrometry (DART-MS) was realized by a coaxial tip interface. The analytes eluted from CE were directly ionized by the metastable helium flux produced by DART and transferred into MS for the detection, with which the online separation and simultaneous detection were achieved. The CE-DART-MS can tolerate higher concentrations of detergents and salts than traditional CE-ESI-MS and avoided the difficulties of collecting CE effluent and cleaning the interface, which simplified the experimental procedures and shortened the analysis time. The performance of the technique was successfully verified by capillary zone electrophoresis (CZE) and micellar electrokinetic chromatography (MEKC) using a mixture of 4-aminoantipyrine, zolmitriptan and quinine. This online technique showed good repeatability with the RSDs (n=5) of 0.56~1.23% for the retention times and 2.01~7.41% for the peak areas. The quantitative analysis of 4-aminoantipyrine was accomplished in the range of 0.01~0.50 mg/mL with the linear correlation coefficient of 0.9995 and limit of detection of 14.7 fmol. Compared with CE-ESI-MS, the ion suppression effects of non-volatile salts and detergents were efficiently minimized. The signal intensity remained constant when the concentrations reached 100 mM for sodium borate and 30 mM for SDS (in 30 mM sodium borate buffer). In addition, the proposed method was successfully applied to the detection of the endogenous caffeine in the Chinese white tea.\n
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\n \n\n \n \n \n \n \n \n Biomarkers of Whale Shark Health: A Metabolomic Approach.\n \n \n \n \n\n\n \n Dove, A. D. M.; Leisen, J.; Zhou, M.; Byrne, J. J.; Lim-Hing, K.; Webb, H. D.; Gelbaum, L.; Viant, M. R.; Kubanek, J.; and Fernández, F. M.\n\n\n \n\n\n\n PLoS ONE, 7(11): e49379. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"BiomarkersPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{dove_biomarkers_2012,\n\ttitle = {Biomarkers of {Whale} {Shark} {Health}: {A} {Metabolomic} {Approach}},\n\tvolume = {7},\n\turl = {http://dx.doi.org/10.1371%2Fjournal.pone.0049379},\n\tdoi = {10.1371/journal.pone.0049379},\n\tabstract = {In a search for biomarkers of health in whale sharks and as exploration of metabolomics as a modern tool for understanding animal physiology, the metabolite composition of serum in six whale sharks (Rhincodon typus) from an aquarium collection was explored using 1H nuclear magnetic resonance (NMR) spectroscopy and direct analysis in real time (DART) mass spectrometry (MS). Principal components analysis (PCA) of spectral data showed that individual animals could be resolved based on the metabolite composition of their serum and that two unhealthy individuals could be discriminated from the remaining healthy animals. The major difference between healthy and unhealthy individuals was the concentration of homarine, here reported for the first time in an elasmobranch, which was present at substantially lower concentrations in unhealthy whale sharks, suggesting that this metabolite may be a useful biomarker of health status in this species. The function(s) of homarine in sharks remain uncertain but it likely plays a significant role as an osmolyte. The presence of trimethylamine oxide (TMAO), another well-known protective osmolyte of elasmobranchs, at 0.1–0.3 mol L−1 was also confirmed using both NMR and MS. Twenty-three additional potential biomarkers were identified based on significant differences in the frequency of their occurrence between samples from healthy and unhealthy animals, as detected by DART MS. Overall, NMR and MS provided complementary data that showed that metabolomics is a useful approach for biomarker prospecting in poorly studied species like elasmobranchs.},\n\tnumber = {11},\n\tjournal = {PLoS ONE},\n\tauthor = {Dove, Alistair D. M. and Leisen, Johannes and Zhou, Manshui and Byrne, Jonathan J. and Lim-Hing, Krista and Webb, Harry D. and Gelbaum, Leslie and Viant, Mark R. and Kubanek, Julia and Fernández, Facundo M.},\n\tmonth = nov,\n\tyear = {2012},\n\tpages = {e49379},\n}\n\n\n\n
\n
\n\n\n
\n In a search for biomarkers of health in whale sharks and as exploration of metabolomics as a modern tool for understanding animal physiology, the metabolite composition of serum in six whale sharks (Rhincodon typus) from an aquarium collection was explored using 1H nuclear magnetic resonance (NMR) spectroscopy and direct analysis in real time (DART) mass spectrometry (MS). Principal components analysis (PCA) of spectral data showed that individual animals could be resolved based on the metabolite composition of their serum and that two unhealthy individuals could be discriminated from the remaining healthy animals. The major difference between healthy and unhealthy individuals was the concentration of homarine, here reported for the first time in an elasmobranch, which was present at substantially lower concentrations in unhealthy whale sharks, suggesting that this metabolite may be a useful biomarker of health status in this species. The function(s) of homarine in sharks remain uncertain but it likely plays a significant role as an osmolyte. The presence of trimethylamine oxide (TMAO), another well-known protective osmolyte of elasmobranchs, at 0.1–0.3 mol L−1 was also confirmed using both NMR and MS. Twenty-three additional potential biomarkers were identified based on significant differences in the frequency of their occurrence between samples from healthy and unhealthy animals, as detected by DART MS. Overall, NMR and MS provided complementary data that showed that metabolomics is a useful approach for biomarker prospecting in poorly studied species like elasmobranchs.\n
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\n \n\n \n \n \n \n \n Confined direct analysis in real time ion source and its applications in analysis of volatile organic compounds of Citrus limon (lemon) and Allium cepa (onion).\n \n \n \n\n\n \n Li, Y.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(10): 1194–1202. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{li_confined_2012,\n\ttitle = {Confined direct analysis in real time ion source and its applications in analysis of volatile organic compounds of {Citrus} limon (lemon) and {Allium} cepa (onion)},\n\tvolume = {26},\n\tdoi = {10.1002/rcm.6217},\n\tabstract = {The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique that enables efficient ionization of gases, liquids and solids with high throughput. A major limit to its wider application in the analysis of gases is its poor detection sensitivity caused by open-air sampling. In this study, a confined interface between the DART ion source outlet and mass spectrometer sampling orifice was developed, where the plasma generated by the atmospheric pressure glow discharge collides and ionizes gas-phase molecules in a Tee-shaped flow tube instead of in open air. It leads to significant increase of collision reaction probability between high energy metastable molecules and analytes. The experimental results show that the ionization efficiency was increased at least by two orders of magnitude. This technique was then applied in the real time analysis of volatile organic compounds (VOCs) of Citrus Limon (lemon) and wounded Allium Cepa (onion). The confined DART ion source was proved to be a powerful tool for the studies of plant metabolomics.},\n\tnumber = {10},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Li, Y.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1194--1202},\n}\n\n\n\n
\n
\n\n\n
\n The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique that enables efficient ionization of gases, liquids and solids with high throughput. A major limit to its wider application in the analysis of gases is its poor detection sensitivity caused by open-air sampling. In this study, a confined interface between the DART ion source outlet and mass spectrometer sampling orifice was developed, where the plasma generated by the atmospheric pressure glow discharge collides and ionizes gas-phase molecules in a Tee-shaped flow tube instead of in open air. It leads to significant increase of collision reaction probability between high energy metastable molecules and analytes. The experimental results show that the ionization efficiency was increased at least by two orders of magnitude. This technique was then applied in the real time analysis of volatile organic compounds (VOCs) of Citrus Limon (lemon) and wounded Allium Cepa (onion). The confined DART ion source was proved to be a powerful tool for the studies of plant metabolomics.\n
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\n \n\n \n \n \n \n \n \n Application of Direct Analysis in Real Time Mass Spectrometry (DART-MS) for Identification of an Epiphytic Cyanobacterium, Nostoc Sp.\n \n \n \n \n\n\n \n Singh, S.; and Verma, S. K.\n\n\n \n\n\n\n Analytical Letters, 45(17): 2562–2568. May 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{singh_application_2012,\n\ttitle = {Application of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) for {Identification} of an {Epiphytic} {Cyanobacterium}, {Nostoc} {Sp}.},\n\tvolume = {45},\n\tissn = {0003-2719},\n\turl = {http://dx.doi.org/10.1080/00032719.2012.694940},\n\tdoi = {10.1080/00032719.2012.694940},\n\tabstract = {Cyanobacteria, a diverse group of bacteria are identified entirely on the basis of morphological characters, which can frequently lead to incorrect results; therefore, the present study reports a new approach for identification of an organism based on DART technique. Direct Analysis in Real Time Mass Spectrometry (DART-MS) was used to identify a cyanobacterium, isolated from the leaf surface, on the basis of characteristic chemical compounds present in the strain. A chemical fingerprint was generated and peaks obtained were found to be similar to the masses of the compounds reported for Nostoc sp.},\n\tnumber = {17},\n\turldate = {2012-11-28},\n\tjournal = {Analytical Letters},\n\tauthor = {Singh, Shachi and Verma, S. K.},\n\tmonth = may,\n\tyear = {2012},\n\tpages = {2562--2568},\n}\n\n\n\n
\n
\n\n\n
\n Cyanobacteria, a diverse group of bacteria are identified entirely on the basis of morphological characters, which can frequently lead to incorrect results; therefore, the present study reports a new approach for identification of an organism based on DART technique. Direct Analysis in Real Time Mass Spectrometry (DART-MS) was used to identify a cyanobacterium, isolated from the leaf surface, on the basis of characteristic chemical compounds present in the strain. A chemical fingerprint was generated and peaks obtained were found to be similar to the masses of the compounds reported for Nostoc sp.\n
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\n \n\n \n \n \n \n \n \n Sensitivity “Hot Spots” in the Direct Analysis in Real Time Mass Spectrometry of Nerve Agent Simulants.\n \n \n \n \n\n\n \n Harris, G. A.; Falcone, C. E.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 23(1): 153–161. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"SensitivityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{harris_sensitivity_2012,\n\ttitle = {Sensitivity “{Hot} {Spots}” in the {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} of {Nerve} {Agent} {Simulants}},\n\tvolume = {23},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-011-0276-8},\n\tdoi = {10.1007/s13361-011-0276-8},\n\tabstract = {Presented here are findings describing the spatial-dependence of sensitivity and ion suppression effects observed with direct analysis in real time (DART). Continuous liquid infusion of dimethyl methyl phosphonate (DMMP) revealed that ion yield “hot spots” did not always correspond with the highest temperature regions within the ionization space. For instance, at lower concentrations (50 and 100 μM), the highest sensitivities were in the middle of the ionization region at 200 °C where there was a shorter ion transport distance, and the heat available to thermally desorb neutrals was moderate. Conversely, at higher DMMP concentrations (500 μM), the highest ion yield was directly in front of the DART source at 200 °C where it was exposed to the highest temperature for thermal desorption. In matching experiments, differential analyte volatility was observed to play a smaller role in relative ion suppression than differences in proton affinity and the relative sampling positions of analytes. At equimolar concentrations sampled at the same position, suppression was as high as 26× between isoquinoline (proton affinity 952 kJ mol–1, boiling point 242 °C) and p-anisidine (proton affinity 900 kJ mol–1, boiling point 243 °C). This effect was exacerbated when sampling positions of the two analytes differed, reaching levels of relative suppression as high as 4543.0× ± 1406.0. To mitigate this level of relative ion suppression, sampling positions and molar ratios of the analytes were modified to create conditions in which ion suppression was negligible.},\n\tnumber = {1},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Harris, Glenn A. and Falcone, Caitlin E. and Fernández, Facundo M.},\n\tyear = {2012},\n\tkeywords = {Biomedical and Life Sciences, Direct analysis in real time (DART); Ambient MS; Ionization fundamentals; Ion suppression; Nerve agent simulants; AccuTOF},\n\tpages = {153--161},\n}\n\n\n\n
\n
\n\n\n
\n Presented here are findings describing the spatial-dependence of sensitivity and ion suppression effects observed with direct analysis in real time (DART). Continuous liquid infusion of dimethyl methyl phosphonate (DMMP) revealed that ion yield “hot spots” did not always correspond with the highest temperature regions within the ionization space. For instance, at lower concentrations (50 and 100 μM), the highest sensitivities were in the middle of the ionization region at 200 °C where there was a shorter ion transport distance, and the heat available to thermally desorb neutrals was moderate. Conversely, at higher DMMP concentrations (500 μM), the highest ion yield was directly in front of the DART source at 200 °C where it was exposed to the highest temperature for thermal desorption. In matching experiments, differential analyte volatility was observed to play a smaller role in relative ion suppression than differences in proton affinity and the relative sampling positions of analytes. At equimolar concentrations sampled at the same position, suppression was as high as 26× between isoquinoline (proton affinity 952 kJ mol–1, boiling point 242 °C) and p-anisidine (proton affinity 900 kJ mol–1, boiling point 243 °C). This effect was exacerbated when sampling positions of the two analytes differed, reaching levels of relative suppression as high as 4543.0× ± 1406.0. To mitigate this level of relative ion suppression, sampling positions and molar ratios of the analytes were modified to create conditions in which ion suppression was negligible.\n
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\n \n\n \n \n \n \n \n \n Identification, extraction and quantification of the synthetic cannabinoid JWH-018 from commercially available herbal marijuana alternatives.\n \n \n \n \n\n\n \n Dunham, S. J.; Hooker, P. D.; and Hyde, R. M.\n\n\n \n\n\n\n Forensic science international, 223(1): 241–244. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"Identification,Paper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{dunham_identification_2012,\n\ttitle = {Identification, extraction and quantification of the synthetic cannabinoid {JWH}-018 from commercially available herbal marijuana alternatives},\n\tvolume = {223},\n\tissn = {0379-0738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073812004471?showall=true},\n\tabstract = {In this work, methods for the rapid identification, extraction, and quantification of the synthetic cannabinoid, JWH-018, from commercially available “Spice” (a herbal marijuana alternative) are presented. JWH-018 was identified in three different products using time-of-flight (TOF) mass spectrometry coupled with a direct analysis in real time (DART) ionization source, a process that was completed in less then five minutes and required no sample preparation. Extraction of the JWH-018 from the spice samples using an automated accelerated solvent extraction (ASE) instrument provided clean extracts with few plant pigments. Subsequent quantification by isocratic HPLC produced the following results (mg JWH-018/g plant material): Weekend Warrior brand “Hash”: 90 (±3\\%)mg/g, Weekend Warrior brand “Leaf”: 29 (±6\\%)mg/g, TrainWreck Hayze brand: 28 (±4\\%)mg/g. Vegetative samples spiked with JWH-018 gave a recovery of 97\\% (±1\\%).},\n\tnumber = {1},\n\tjournal = {Forensic science international},\n\tauthor = {Dunham, Sage J.B. and Hooker, Paul D. and Hyde, Robyn M.},\n\tmonth = nov,\n\tyear = {2012},\n\tkeywords = {Accelerated solvent extraction, DART–mass spectrometry, Herbal marijuana alternative, JWH-018, Spice, Synthetic marijuana},\n\tpages = {241--244},\n}\n\n\n\n
\n
\n\n\n
\n In this work, methods for the rapid identification, extraction, and quantification of the synthetic cannabinoid, JWH-018, from commercially available “Spice” (a herbal marijuana alternative) are presented. JWH-018 was identified in three different products using time-of-flight (TOF) mass spectrometry coupled with a direct analysis in real time (DART) ionization source, a process that was completed in less then five minutes and required no sample preparation. Extraction of the JWH-018 from the spice samples using an automated accelerated solvent extraction (ASE) instrument provided clean extracts with few plant pigments. Subsequent quantification by isocratic HPLC produced the following results (mg JWH-018/g plant material): Weekend Warrior brand “Hash”: 90 (±3%)mg/g, Weekend Warrior brand “Leaf”: 29 (±6%)mg/g, TrainWreck Hayze brand: 28 (±4%)mg/g. Vegetative samples spiked with JWH-018 gave a recovery of 97% (±1%).\n
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\n \n\n \n \n \n \n \n \n Ambient analysis by thermal desorption atmospheric pressure photoionization.\n \n \n \n \n\n\n \n Jorabchi, K.; Hanold, K.; and Syage, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–8. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{jorabchi_ambient_2012,\n\ttitle = {Ambient analysis by thermal desorption atmospheric pressure photoionization},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-6536-z},\n\tdoi = {10.1007/s00216-012-6536-z},\n\tabstract = {Ambient mass spectrometry has attracted substantial attention in recent years. Among ambient ionization methods, thermal desorption ionization stands out because of two attributes: (1) simplicity, rendering the technique suitable for in-field applications, and (2) ability to couple with a variety of gas-phase ionization methods thereby broadening the range of molecules that can be analyzed with this method. Here, we report on improving the performance of a direct analysis in real time (DART) source by implementing atmospheric pressure photoionization (APPI) downstream of the desorption region. At identical desorption and ion sampling conditions, APPI leads to detection of radical molecular ions from non-polar compounds that are absent from the spectra generated by DART alone. Moreover, a factor of 3–5 improvement in sensitivity is observed using APPI for positive ions commonly detected by DART and DART-APPI. Using helium and nitrogen as desorption gases, APPI shows identical performance regardless of desorption gas type. In contrast, a dramatic decrease in sensitivity is observed for DART operated with nitrogen compared to DART with helium. Comparable performance for DART and DART-APPI are observed in negative ion mode, although both show a drastic improvement in the absence of the Vapur interface. This interface creates a differentially pumped chamber prior to inlet of the mass spectrometer and reduces the mass spectrometer gas load when helium is used as desorption gas.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Jorabchi, Kaveh and Hanold, Karl and Syage, Jack},\n\tmonth = nov,\n\tyear = {2012},\n\tkeywords = {Ambient mass spectrometry, Direct analysis in real time, Photoionization},\n\tpages = {1--8},\n}\n\n\n\n
\n
\n\n\n
\n Ambient mass spectrometry has attracted substantial attention in recent years. Among ambient ionization methods, thermal desorption ionization stands out because of two attributes: (1) simplicity, rendering the technique suitable for in-field applications, and (2) ability to couple with a variety of gas-phase ionization methods thereby broadening the range of molecules that can be analyzed with this method. Here, we report on improving the performance of a direct analysis in real time (DART) source by implementing atmospheric pressure photoionization (APPI) downstream of the desorption region. At identical desorption and ion sampling conditions, APPI leads to detection of radical molecular ions from non-polar compounds that are absent from the spectra generated by DART alone. Moreover, a factor of 3–5 improvement in sensitivity is observed using APPI for positive ions commonly detected by DART and DART-APPI. Using helium and nitrogen as desorption gases, APPI shows identical performance regardless of desorption gas type. In contrast, a dramatic decrease in sensitivity is observed for DART operated with nitrogen compared to DART with helium. Comparable performance for DART and DART-APPI are observed in negative ion mode, although both show a drastic improvement in the absence of the Vapur interface. This interface creates a differentially pumped chamber prior to inlet of the mass spectrometer and reduces the mass spectrometer gas load when helium is used as desorption gas.\n
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\n \n\n \n \n \n \n \n The Principles and Applications of An Ambient Ionization Method–Direct Analysis in Real Time (DART).\n \n \n \n\n\n \n Zhang, J.; Huo, F.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Progress in Chemistry, 24(1): 101–109. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhang_principles_2012,\n\ttitle = {The {Principles} and {Applications} of {An} {Ambient} {Ionization} {Method}--{Direct} {Analysis} in {Real} {Time} ({DART})},\n\tvolume = {24},\n\tabstract = {The development of ionization approach has been focused on the ambient ionization methods in the past decade. DART was first reported by Cody and coworkers in 2005 and has been widely applied in the analysis of various samples including solids, liquids or gases. Helium or nitrogen is chosen as the working gas of DART. The working gas is activated by discharge needle and subsequently heated in the heating cell for the further sample ionization. The DART technology needs minimal or no sample pretreatmentand direct analysis can be carried out by holding sample in the localization between the outlet of DART and the entrance of mass spectrometer. This review presents the development, the ionization mechanism, and the major operation parameters of DART. And the applications in direct analysis of pheromones from live drosophila, screening of counterfeit drugs, identification of ingredient of inksand other samples are summarized. In the end, the technological limitations and development trends of DART are also discussed.},\n\tnumber = {1},\n\tjournal = {Progress in Chemistry},\n\tauthor = {Zhang, Jialing and Huo, Feifeng and Zhou, Zhigui and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {review},\n\tpages = {101--109},\n}\n\n\n\n
\n
\n\n\n
\n The development of ionization approach has been focused on the ambient ionization methods in the past decade. DART was first reported by Cody and coworkers in 2005 and has been widely applied in the analysis of various samples including solids, liquids or gases. Helium or nitrogen is chosen as the working gas of DART. The working gas is activated by discharge needle and subsequently heated in the heating cell for the further sample ionization. The DART technology needs minimal or no sample pretreatmentand direct analysis can be carried out by holding sample in the localization between the outlet of DART and the entrance of mass spectrometer. This review presents the development, the ionization mechanism, and the major operation parameters of DART. And the applications in direct analysis of pheromones from live drosophila, screening of counterfeit drugs, identification of ingredient of inksand other samples are summarized. In the end, the technological limitations and development trends of DART are also discussed.\n
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\n \n\n \n \n \n \n \n Where is the next high? - Rapid identification of synthetic cannabinoids in \"Spice\" products.\n \n \n \n\n\n \n Huang, L.; Veltri, M.; Cody, R. B.; Dane, A. J.; Rivera, A.; Marino, M. A.; and Kim, W. J.\n\n\n \n\n\n\n Forensic Science International, submitted. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{huang_where_2012,\n\ttitle = {Where is the next high? - {Rapid} identification of synthetic cannabinoids in "{Spice}" products},\n\tvolume = {submitted},\n\tjournal = {Forensic Science International},\n\tauthor = {Huang, Ling and Veltri, Mercurio and Cody, Robert B. and Dane, A. John and Rivera, Amanda and Marino, Michael A. and Kim, Woen J.},\n\tyear = {2012},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Study of the distribution profile of piperidine alkaloids in various parts of Prosopis juliflora by the application of Direct Analysis in Real Time Mass Spectrometry (DART-MS).\n \n \n \n \n\n\n \n Singh, S.; and Verma, S.\n\n\n \n\n\n\n Natural Products and Bioprospecting,1–4. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"StudyPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{singh_study_2012,\n\ttitle = {Study of the distribution profile of piperidine alkaloids in various parts of {Prosopis} juliflora by the application of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS})},\n\turl = {http://dx.doi.org/10.1007/s13659-012-0069-1},\n\tabstract = {Direct Analysis in Real Time Mass Spectrometry (DART-MS) was applied to identify and study the distribution profile of piperidine alkaloids in different parts of Prosopis juliflora, without isolation and separation of the compounds by standard chromatographic techniques. With the help of DART-MS, chemical fingerprint of raw plant parts were generated, which revealed the presence of piperidine alkaloids in leaf, pod and flower. A comparative study of the distribution pattern, showed variation in the presence and distribution of these alkaloids in various parts of P. juliflora. The leaves and pod displayed the largest alkaloid pattern with a total of 12 different alkaloids in each part, whereas only 4 alkaloids were present in flower. Alkaloids: julifloridine, prosopine, prosopinine and prosafrinine were ubiquitously distributed in all the alkaloid rich plant parts. Juliprosopine was pre-eminet alkaloid in leaf, whereas pod and flower displayed copious amounts of julifloridine.},\n\tjournal = {Natural Products and Bioprospecting},\n\tauthor = {Singh, Shachi and Verma, SanjayKumar},\n\tyear = {2012},\n\tkeywords = {julifloridine},\n\tpages = {1--4},\n}\n\n\n\n
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\n Direct Analysis in Real Time Mass Spectrometry (DART-MS) was applied to identify and study the distribution profile of piperidine alkaloids in different parts of Prosopis juliflora, without isolation and separation of the compounds by standard chromatographic techniques. With the help of DART-MS, chemical fingerprint of raw plant parts were generated, which revealed the presence of piperidine alkaloids in leaf, pod and flower. A comparative study of the distribution pattern, showed variation in the presence and distribution of these alkaloids in various parts of P. juliflora. The leaves and pod displayed the largest alkaloid pattern with a total of 12 different alkaloids in each part, whereas only 4 alkaloids were present in flower. Alkaloids: julifloridine, prosopine, prosopinine and prosafrinine were ubiquitously distributed in all the alkaloid rich plant parts. Juliprosopine was pre-eminet alkaloid in leaf, whereas pod and flower displayed copious amounts of julifloridine.\n
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\n \n\n \n \n \n \n \n \n Evaluating agarwood products for 2-(2-phenylethyl)chromones using direct analysis in real time time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Lancaster, C.; and Espinoza, E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(23): 2649–2656. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{lancaster_evaluating_2012,\n\ttitle = {Evaluating agarwood products for 2-(2-phenylethyl)chromones using direct analysis in real time time-of-flight mass spectrometry},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6388},\n\tdoi = {10.1002/rcm.6388},\n\tabstract = {RATIONALE \n \nAgarwood is the resinous material harvested from threatened Aquilaria species. We investigated how many protonated 2-(2-phenylethyl)chromone ions were sufficient to make an accurate identification of agarwood. Analysis of 125 reference samples was carried out by direct analysis in real time time-of-flight mass spectrometry (DART-TOFMS). The identification criteria developed were applied to commercial samples. \n \nMETHODS \n \nWe developed a technique that uses DART-TOFMS to detect 2-(2-phenylethyl)chromones. Additionally, we developed a set of criteria to infer the presence of Aquilaria in commercial samples of wood chips, sawdust, incense and liquids. Additionally, we examined other fragrant woods to determine if they contained a chemical profile that could be falsely identified as agarwood. \n \nRESULTS \n \nAnalysis of reference and commercial samples (n = 151) established that DART-TOFMS provides reproducible mass spectra that are useful for inferring the genus of suspected agarwood samples. We identified 17 ions which were useful for authenticating agarwood. Comparison of the number of chromone ions detected by direct analyses of dry wood chips versus eluent analysis of methanol-extracted wood showed that results were similar. Lastly, analysis of 25 scented woods of other species did not give false positive results. \n \nCONCLUSIONS \n \nReliable criteria for inferring agarwood include the presence of diagnostic ions, m/z 319.118 or 349.129, in addition to ten or more ions characteristic of 2-(2-phenylethyl)chromones. Wood anatomists challenged with difficult morphological identifications can use this tool to assist in their analyses. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {23},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Lancaster, Cady and Espinoza, Edgard},\n\tyear = {2012},\n\tpages = {2649--2656},\n}\n\n\n\n
\n
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\n RATIONALE Agarwood is the resinous material harvested from threatened Aquilaria species. We investigated how many protonated 2-(2-phenylethyl)chromone ions were sufficient to make an accurate identification of agarwood. Analysis of 125 reference samples was carried out by direct analysis in real time time-of-flight mass spectrometry (DART-TOFMS). The identification criteria developed were applied to commercial samples. METHODS We developed a technique that uses DART-TOFMS to detect 2-(2-phenylethyl)chromones. Additionally, we developed a set of criteria to infer the presence of Aquilaria in commercial samples of wood chips, sawdust, incense and liquids. Additionally, we examined other fragrant woods to determine if they contained a chemical profile that could be falsely identified as agarwood. RESULTS Analysis of reference and commercial samples (n = 151) established that DART-TOFMS provides reproducible mass spectra that are useful for inferring the genus of suspected agarwood samples. We identified 17 ions which were useful for authenticating agarwood. Comparison of the number of chromone ions detected by direct analyses of dry wood chips versus eluent analysis of methanol-extracted wood showed that results were similar. Lastly, analysis of 25 scented woods of other species did not give false positive results. CONCLUSIONS Reliable criteria for inferring agarwood include the presence of diagnostic ions, m/z 319.118 or 349.129, in addition to ten or more ions characteristic of 2-(2-phenylethyl)chromones. Wood anatomists challenged with difficult morphological identifications can use this tool to assist in their analyses. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Estimation of camptothecin and pharmacological evaluation of Ophiorrhiza prostrata D. Don and Ophiorrhiza mungos L.\n \n \n \n \n\n\n \n Krishnakumar, G; Rameshkumar, K.; Srinivas, P.; Satheeshkumar, K; and Krishnan, P.\n\n\n \n\n\n\n Asian Pacific Journal of Tropical Biomedicine, 2(2, Supplement): S727–S731. February 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EstimationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{krishnakumar_estimation_2012,\n\ttitle = {Estimation of camptothecin and pharmacological evaluation of {Ophiorrhiza} prostrata {D}. {Don} and {Ophiorrhiza} mungos {L}.},\n\tvolume = {2},\n\tissn = {2221-1691},\n\turl = {http://www.sciencedirect.com/science/article/pii/S2221169112603049},\n\tdoi = {10.1016/S2221-1691(12)60304-9},\n\tabstract = {Objective \nTo carry out the qualitative and quantitative evaluation of camptothecin, estimation of total phenolic compounds and evaluation of in vitro antioxidant activity and cytotoxic activity of Ophiorrhiza prostrata and Ophiorrhiza mungos. \nMethods \nDirect Analysis in Real Time- Mass Spectrometry (DART-MS) was employed for the detection of camptothecin in the Ophiorrhiza species, while high performance thin layer chromatography (HPTLC) was used for the estimation of camptothecin. Total phenolic compounds were estimated by modified Folins-Ciocalteu's reagent method. Antioxidant activity was evaluated through DPPH radical, hydroxyl radical, superoxide radical scavenging assays and reducing power assay. The cytotoxicity evaluation was performed using MTT assay on MCF-7 cell lines. \nResults \nThe presence of camptothecin was confirmed in both the species by the [M++H] peak at 349 by DART-MS analysis. Camptothecin content was estimated as 1.47 μg/gm (dry wt) in O. prostrata and 188.60 μg/gm (dry wt) in O. mungos using HPTLC method. The moderate in vitro antioxidant activities of the methanol extracts corroborates with the low content of phenolic compounds in O. prostrata (9.88 GAE mg/g) and O. mungos (12.73 GAE mg/g). The methanol extract of O. prostrata exhibited remarkable cytotoxicity on human breast cancer cell lines (MCF-7), with IC50 value 1.10μg/mL compared to O. mungos (3.48μg/mL) and standard camptothecin (3.51μg/mL). \nConclusions \nThe application of DART-MS proved to be a simple and rapid technique for the detection of camptothecin in Ophiorrhiza species. The higher cytotoxicity for O. prostrata, despite the low content of camptothecin suggests the presence of other potential cytotoxic compounds in O. prostrata.},\n\tnumber = {2, Supplement},\n\tjournal = {Asian Pacific Journal of Tropical Biomedicine},\n\tauthor = {Krishnakumar, G and Rameshkumar, KB and Srinivas, Priya and Satheeshkumar, K and Krishnan, PN},\n\tmonth = feb,\n\tyear = {2012},\n\tkeywords = {Antioxidant activity, Camptothecin, Cytotoxicity, DART-MS analysis, HPTLC estimation, Ophiorrhiza mungos, Ophiorrhiza prostrata},\n\tpages = {S727--S731},\n}\n\n\n\n
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\n Objective To carry out the qualitative and quantitative evaluation of camptothecin, estimation of total phenolic compounds and evaluation of in vitro antioxidant activity and cytotoxic activity of Ophiorrhiza prostrata and Ophiorrhiza mungos. Methods Direct Analysis in Real Time- Mass Spectrometry (DART-MS) was employed for the detection of camptothecin in the Ophiorrhiza species, while high performance thin layer chromatography (HPTLC) was used for the estimation of camptothecin. Total phenolic compounds were estimated by modified Folins-Ciocalteu's reagent method. Antioxidant activity was evaluated through DPPH radical, hydroxyl radical, superoxide radical scavenging assays and reducing power assay. The cytotoxicity evaluation was performed using MTT assay on MCF-7 cell lines. Results The presence of camptothecin was confirmed in both the species by the [M++H] peak at 349 by DART-MS analysis. Camptothecin content was estimated as 1.47 μg/gm (dry wt) in O. prostrata and 188.60 μg/gm (dry wt) in O. mungos using HPTLC method. The moderate in vitro antioxidant activities of the methanol extracts corroborates with the low content of phenolic compounds in O. prostrata (9.88 GAE mg/g) and O. mungos (12.73 GAE mg/g). The methanol extract of O. prostrata exhibited remarkable cytotoxicity on human breast cancer cell lines (MCF-7), with IC50 value 1.10μg/mL compared to O. mungos (3.48μg/mL) and standard camptothecin (3.51μg/mL). Conclusions The application of DART-MS proved to be a simple and rapid technique for the detection of camptothecin in Ophiorrhiza species. The higher cytotoxicity for O. prostrata, despite the low content of camptothecin suggests the presence of other potential cytotoxic compounds in O. prostrata.\n
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\n \n\n \n \n \n \n \n \n Normal phase LC coupled with DART-MS for the chiral analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol and jasmonic acid.\n \n \n \n \n\n\n \n Chang, C.; Zhou, Z.; Yang, Y.; Han, Y.; Bai, Y.; Zhao, M.; and Liu, H.\n\n\n \n\n\n\n ELECTROPHORESIS,n/a. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"NormalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{chang_normal_2012,\n\ttitle = {Normal phase {LC} coupled with {DART}-{MS} for the chiral analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol and jasmonic acid},\n\tissn = {1522-2683},\n\turl = {http://dx.doi.org/10.1002/elps.201200122},\n\tdoi = {10.1002/elps.201200122},\n\tabstract = {Normal phase chiral liquid chromatography has been proved to be powerful and efficient for chiral separation. However, the combination of normal phase liquid chromatography (NPLC) with electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) is restricted by the poor ionization efficiency and thermal fragmentations of analytes to some extent. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization technique that shows high ionization efficiency of the analytes in the normal phase mobile phase. In this work, we coupled chiral NPLC to DART-MS for the chiral qualitative and quantitative analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) and jasmonic acid (JA) enantiomers. Satisfactory results for the enantiomers of NNAL operating in the positive mode were obtained in terms of linearity (2.5–250 μg/mL, R2, 0.999–1.000) and repeatability (25 μg/mL, RSDs, 4.7–5.6\\%). Moreover, chiral NPLC-DART-MS resulted in the simultaneous chiral separation and detection of JA enantiomers, which are very difficult to be analyzed by NPLC-ESI-MS and NPLC-APCI-MS. Compared with the coupled techniques of NPLC-ESI-MS and NPLC-APCI-MS, NPLC-DART-MS showed advantages in increasing the ionization efficiency and reducing the in-source thermal fragmentation of analytes.},\n\tjournal = {ELECTROPHORESIS},\n\tauthor = {Chang, Cuilan and Zhou, Zhigui and Yang, Youyou and Han, Yehua and Bai, Yu and Zhao, Meiping and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol, Chiral separation, DART-MS, Jasmonic acid, NPLC},\n\tpages = {n/a},\n}\n\n\n\n
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\n Normal phase chiral liquid chromatography has been proved to be powerful and efficient for chiral separation. However, the combination of normal phase liquid chromatography (NPLC) with electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) is restricted by the poor ionization efficiency and thermal fragmentations of analytes to some extent. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization technique that shows high ionization efficiency of the analytes in the normal phase mobile phase. In this work, we coupled chiral NPLC to DART-MS for the chiral qualitative and quantitative analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) and jasmonic acid (JA) enantiomers. Satisfactory results for the enantiomers of NNAL operating in the positive mode were obtained in terms of linearity (2.5–250 μg/mL, R2, 0.999–1.000) and repeatability (25 μg/mL, RSDs, 4.7–5.6%). Moreover, chiral NPLC-DART-MS resulted in the simultaneous chiral separation and detection of JA enantiomers, which are very difficult to be analyzed by NPLC-ESI-MS and NPLC-APCI-MS. Compared with the coupled techniques of NPLC-ESI-MS and NPLC-APCI-MS, NPLC-DART-MS showed advantages in increasing the ionization efficiency and reducing the in-source thermal fragmentation of analytes.\n
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\n \n\n \n \n \n \n \n \n Validation of a Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for the quantitation of six carbon sugars in a saccharification matrix.\n \n \n \n \n\n\n \n Saang'onyo, D.; Selby, G.; and Smith, D. L.\n\n\n \n\n\n\n Anal. Methods. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{saangonyo_validation_2012,\n\ttitle = {Validation of a {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) method for the quantitation of six carbon sugars in a saccharification matrix},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C2AY25337B},\n\tabstract = {A Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for quantitation of six carbon sugars in saccharification matrix (solution used for the enzyme hydrolysis of switchgrass) was developed and validated. The DART ion source was used to produce ammonium adducts of the spiked glucose molecular ion and the d2-glucose (internal standard) that were detected by scanning with a linear ion trap. Calibration curves were obtained over a linear range of 10 to 3000 [small mu ]M with correlation coefficients better than 0.997 and method recoveries were 94.9\\% to 103.0\\%. Matrix effects were observed and managed with matrix-matching standards for generating calibration curves. Limits of detection and quantitation were 5.84 [times] 10-6 M and 1.95 [times] 10-5 M, respectively. These results indicate this method could be implemented for quantitation of glucose generated from saccharification samples.},\n\tjournal = {Anal. Methods},\n\tauthor = {Saang'onyo, Daudi and Selby, Gary and Smith, Darrin L.},\n\tyear = {2012},\n}\n\n\n\n
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\n A Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for quantitation of six carbon sugars in saccharification matrix (solution used for the enzyme hydrolysis of switchgrass) was developed and validated. The DART ion source was used to produce ammonium adducts of the spiked glucose molecular ion and the d2-glucose (internal standard) that were detected by scanning with a linear ion trap. Calibration curves were obtained over a linear range of 10 to 3000 [small mu ]M with correlation coefficients better than 0.997 and method recoveries were 94.9% to 103.0%. Matrix effects were observed and managed with matrix-matching standards for generating calibration curves. Limits of detection and quantitation were 5.84 [times] 10-6 M and 1.95 [times] 10-5 M, respectively. These results indicate this method could be implemented for quantitation of glucose generated from saccharification samples.\n
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\n \n\n \n \n \n \n \n \n Direct Monitoring of the Role Played by a Stabilizer in a Solid Sample of Polymer Using Direct Analysis in Real Time Mass Spectrometry: The Case of Irgafos 168 in Polyethylene.\n \n \n \n \n\n\n \n Fouyer, K.; Lavastre, O.; and Rondeau, D.\n\n\n \n\n\n\n Analytical Chemistry. September 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{fouyer_direct_2012,\n\ttitle = {Direct {Monitoring} of the {Role} {Played} by a {Stabilizer} in a {Solid} {Sample} of {Polymer} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}: {The} {Case} of {Irgafos} 168 in {Polyethylene}},\n\tissn = {0003-2700},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac301759q},\n\tdoi = {10.1021/ac301759q},\n\tabstract = {Direct analysis in real time (DART) ionization method is used with a time-of-flight (TOF) mass spectrometer to perform the analysis of industrial polyethylene pellets free of additives or containing Irgafos 168 as stabilizing agent without any sampling step. The developed analytical method uses the [M + H]+ ion of the bis(2-ethylhexyl) phthalate (DEHP) for performing the exact mass measurements of the stabilizer and polymer ions using the mass drift compensation procedure available on the AccuTOF mass spectrometer. DEHP is in fact a plastic contaminant always presents on the mass spectra of the analyzed samples. The mass spectra allow one to characterize either the ions of the polyethylene and that of the Irgafos. The analysis of thermally treated samples show that the polymer does not undergo any degradation when the Irgafos is present in the bulk of the material, and the role played by the Irgafos 168 is that of an oxygen trapping agent. Under UV exposure, the DART-TOF MS analyses performed on the exposed polyethylene pellets shows that the Irgafos 168 behavior toward the UV radiations is different since this one reacts by cleavages of its P?O bonds to prevent the degradation of the polymer. These interpretations are supported by all the elemental formula determination of the detected ions.},\n\turldate = {2012-10-10},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Fouyer, Kevin and Lavastre, Olivier and Rondeau, David},\n\tmonth = sep,\n\tyear = {2012},\n}\n\n\n\n
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\n Direct analysis in real time (DART) ionization method is used with a time-of-flight (TOF) mass spectrometer to perform the analysis of industrial polyethylene pellets free of additives or containing Irgafos 168 as stabilizing agent without any sampling step. The developed analytical method uses the [M + H]+ ion of the bis(2-ethylhexyl) phthalate (DEHP) for performing the exact mass measurements of the stabilizer and polymer ions using the mass drift compensation procedure available on the AccuTOF mass spectrometer. DEHP is in fact a plastic contaminant always presents on the mass spectra of the analyzed samples. The mass spectra allow one to characterize either the ions of the polyethylene and that of the Irgafos. The analysis of thermally treated samples show that the polymer does not undergo any degradation when the Irgafos is present in the bulk of the material, and the role played by the Irgafos 168 is that of an oxygen trapping agent. Under UV exposure, the DART-TOF MS analyses performed on the exposed polyethylene pellets shows that the Irgafos 168 behavior toward the UV radiations is different since this one reacts by cleavages of its P?O bonds to prevent the degradation of the polymer. These interpretations are supported by all the elemental formula determination of the detected ions.\n
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\n \n\n \n \n \n \n \n \n Argon Direct Analysis in Real Time (Ar-DART) Mass Spectrometry in Conjunction with Make-Up Solvents: A Novel Method for Analysis of Labile Compounds.\n \n \n \n \n\n\n \n Yang, H.; Wan, D.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytical Chemistry. December 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ArgonPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{yang_argon_2012,\n\ttitle = {Argon {Direct} {Analysis} in {Real} {Time} ({Ar}-{DART}) {Mass} {Spectrometry} in {Conjunction} with {Make}-{Up} {Solvents}: {A} {Novel} {Method} for {Analysis} of {Labile} {Compounds}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3026543},\n\tdoi = {10.1021/ac3026543},\n\tabstract = {Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with make-up solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a make-up solvent (absolute ethyl alcohol, methanol, fluorobenzene or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.},\n\turldate = {2013-01-04},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Yang, Hongmei and Wan, Debin and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tmonth = dec,\n\tyear = {2012},\n}\n\n\n\n
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\n Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with make-up solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a make-up solvent (absolute ethyl alcohol, methanol, fluorobenzene or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.\n
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\n \n\n \n \n \n \n \n \n Rapid detection of alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS/MS).\n \n \n \n \n\n\n \n Sun, L.; Hu, X.; Liu, L.; Jin, H.; and Lin, R.\n\n\n \n\n\n\n Zhongguo Zhong Yao Za Zhi, 37: 1426–30. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{sun_rapid_2012,\n\ttitle = {Rapid detection of alkaloids in {Ipecac} by direct analysis in real time tandem mass spectrometry ({DART}-{MS}/{MS})},\n\tvolume = {37},\n\turl = {http://www.ncbi.nlm.nih.gov/pubmed/22860455},\n\tabstract = {OBJECTIVE: To detect alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS) without pre-treatment and chromatographic separation. METHOD: Under the optimum conditions, DART-MS characteristic spectra were collected for tablet of Ipecac powder, Ipecac stems and leaves by full scanning,and secondary spectra were adopted for identifying alkaloids. The multiple reaction monitoring mode was adopted to determine the mass spectrum peak intensity of determinands on the surface of determined samples, in order to calculate their average content in samples. RESULT: Spectra of tablet of Ipecac powder and Ipecac stems showed remarkable ionized ion peaks of emetine and cephaeline at m/z 481 and 467, while spectra of leaves showed ionized ion peaks of other alkaloids at m/z 479 and 465. Furthermore, the quantitative analysis was also demonstrated with good reproducibility and linear relationship. CONCLUSION:  The mode can play a role in rapid determination of medicinal materials and prepared herbal medicines and real-time rapid quantitative analysis on intermediates and preparations.},\n\tlanguage = {Chinese},\n\tjournal = {Zhongguo Zhong Yao Za Zhi},\n\tauthor = {Sun, Lei and Hu, Xiaoru and Liu, Lina and Jin, Hongyu and Lin, Ruichao},\n\tyear = {2012},\n\tpages = {1426--30},\n}\n\n\n\n
\n
\n\n\n
\n OBJECTIVE: To detect alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS) without pre-treatment and chromatographic separation. METHOD: Under the optimum conditions, DART-MS characteristic spectra were collected for tablet of Ipecac powder, Ipecac stems and leaves by full scanning,and secondary spectra were adopted for identifying alkaloids. The multiple reaction monitoring mode was adopted to determine the mass spectrum peak intensity of determinands on the surface of determined samples, in order to calculate their average content in samples. RESULT: Spectra of tablet of Ipecac powder and Ipecac stems showed remarkable ionized ion peaks of emetine and cephaeline at m/z 481 and 467, while spectra of leaves showed ionized ion peaks of other alkaloids at m/z 479 and 465. Furthermore, the quantitative analysis was also demonstrated with good reproducibility and linear relationship. CONCLUSION: The mode can play a role in rapid determination of medicinal materials and prepared herbal medicines and real-time rapid quantitative analysis on intermediates and preparations.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART) Mass Spectrometry of Adulterants in Herbal Slimming Products using a Tandem Quadrupole MS and Data Directed Analysis.\n \n \n \n\n\n \n Jones, M.; Twohig, M; Yu, K; Balogh, M; Tice, J; and Musselman, B\n\n\n \n\n\n\n Planta Med, 78(05): P_127. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jones_direct_2012,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry} of {Adulterants} in {Herbal} {Slimming} {Products} using a {Tandem} {Quadrupole} {MS} and {Data} {Directed} {Analysis}},\n\tvolume = {78},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0032-1307635},\n\tabstract = {Several troubling studies show the adulteration of herbal slimming products with sibutramine is a common occurrence. Recent reports suggesting an increased risk of serious cardiovascular events (such as heart attack or stroke) in patients with known cardiovascular disease taking sibutramine have prompted the European Medicines Agency (EMA) to recommend that the use of sibutramine be suspended. The aim of this study is to develop specific methods for the rapid screening of herbal medicines for illicit adulteration with pharmaceutical drugs.\n\nHerbal slimming aids were purchased over the internet from store websites and auction sites. Samples were analysed using a direct analysis in real time (DART) interface and a tandem quadrupole mass spectrometer. Samples purchased over the internet were found to contain undeclared pharmaceutical substances with the main component being sibutramine, an appetite suppressant used in the treatment of obesity. In addition to sibutramine, phenolphthalein and sildenafil were also identified none of which were declared on the box or enclosed information.\n\nDuring our study we were able to identify nine samples that had been contaminated by sibutramine. DART with data directed analysis of the sample using a data directed high low collision energy experiment provides simultaneous intact molecular ion and fragmentation information, while allowing samples to be analysed very rapidly and without the need for complex sample preparation or chromatography. The testing of unlicensed herbal medicines and herbal dietary supplements are vital functions due to the possibility of illegal adulteration and/or contamination and the potential that exists for adverse health effects to unsuspecting consumers.},\n\tnumber = {05},\n\tjournal = {Planta Med},\n\tauthor = {Jones, MD and Twohig, M and Yu, K and Balogh, M and Tice, J and Musselman, B},\n\tyear = {2012},\n\tpages = {P\\_127},\n}\n\n\n\n
\n
\n\n\n
\n Several troubling studies show the adulteration of herbal slimming products with sibutramine is a common occurrence. Recent reports suggesting an increased risk of serious cardiovascular events (such as heart attack or stroke) in patients with known cardiovascular disease taking sibutramine have prompted the European Medicines Agency (EMA) to recommend that the use of sibutramine be suspended. The aim of this study is to develop specific methods for the rapid screening of herbal medicines for illicit adulteration with pharmaceutical drugs. Herbal slimming aids were purchased over the internet from store websites and auction sites. Samples were analysed using a direct analysis in real time (DART) interface and a tandem quadrupole mass spectrometer. Samples purchased over the internet were found to contain undeclared pharmaceutical substances with the main component being sibutramine, an appetite suppressant used in the treatment of obesity. In addition to sibutramine, phenolphthalein and sildenafil were also identified none of which were declared on the box or enclosed information. During our study we were able to identify nine samples that had been contaminated by sibutramine. DART with data directed analysis of the sample using a data directed high low collision energy experiment provides simultaneous intact molecular ion and fragmentation information, while allowing samples to be analysed very rapidly and without the need for complex sample preparation or chromatography. The testing of unlicensed herbal medicines and herbal dietary supplements are vital functions due to the possibility of illegal adulteration and/or contamination and the potential that exists for adverse health effects to unsuspecting consumers.\n
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\n \n\n \n \n \n \n \n \n Metabolomic fingerprinting employing DART-TOFMS for authentication of tomatoes and peppers from organic and conventional farming.\n \n \n \n \n\n\n \n Novotná, H.; Kmiecik, O.; Gałązka, M.; Krtková, V.; Hurajová, A.; Schulzová, V.; Hallmann, E.; Rembiałkowska, E.; and Hajšlová, J.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 29(9): 1335–1346. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"MetabolomicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{novotna_metabolomic_2012,\n\ttitle = {Metabolomic fingerprinting employing {DART}-{TOFMS} for authentication of tomatoes and peppers from organic and conventional farming},\n\tvolume = {29},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2012.690348},\n\tdoi = {10.1080/19440049.2012.690348},\n\tabstract = {The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5\\% for tomato and 100\\% for pepper samples and the prediction abilities were above 80\\% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.\nThe rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5\\% for tomato and 100\\% for pepper samples and the prediction abilities were above 80\\% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.},\n\tnumber = {9},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Novotná, H. and Kmiecik, O. and Gałązka, M. and Krtková, V. and Hurajová, A. and Schulzová, V. and Hallmann, E. and Rembiałkowska, E. and Hajšlová, J.},\n\tyear = {2012},\n\tpages = {1335--1346},\n}\n\n\n\n
\n
\n\n\n
\n The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5% for tomato and 100% for pepper samples and the prediction abilities were above 80% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models. The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5% for tomato and 100% for pepper samples and the prediction abilities were above 80% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.\n
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\n \n\n \n \n \n \n \n Ambient mass spectrometry for extractionless analyses of plants: Holy Grail, useful tool or hoax?.\n \n \n \n\n\n \n van Beek, T.; Shen, Y; Verweij, T; Villela, A; and Claassen, F\n\n\n \n\n\n\n Planta Med, 78(11): CL44. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{van_beek_ambient_2012,\n\ttitle = {Ambient mass spectrometry for extractionless analyses of plants: {Holy} {Grail}, useful tool or hoax?},\n\tvolume = {78},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0032-1320279},\n\tabstract = {Ambient mass spectrometry allows sampling on your benchtop at atmospheric pressure and often without any sample preparation. A short overview of ambient MS is given including ionisation mechanisms and new exciting developments such as leaf spray. Direct Analysis in Real Time (DART) and Desorption Electrospray Ionisation (DESI) applications from the author's group in the field of natural products chemistry are presented. In particular DART-MS is a versatile, easy to handle and fast technique allowing even quantitative measurements of secondary plant metabolites such as alkaloids, terpenes (Ginkgo, star anise) and flavonoids. Fig. A shows the DART-MS of toxic Japanese star anise with a clear peak for the neurotoxin anisatin at m/z 327.107. Chinese star anise lacks this peak (Fig. B). This result was obtained in seconds without any sample preparation. In combination with high-resolution MS it can be used for quality control, adulteration detection, metabolomics and screening of herbal products. It can also be hyphenated to HPLC or TLC. A comparison of DART and DESI-MS in terms of scope, figures of merit and limitations is made.},\n\tnumber = {11},\n\tjournal = {Planta Med},\n\tauthor = {van Beek, TA and Shen, Y and Verweij, T and Villela, A and Claassen, F},\n\tyear = {2012},\n\tpages = {CL44},\n}\n\n\n\n
\n
\n\n\n
\n Ambient mass spectrometry allows sampling on your benchtop at atmospheric pressure and often without any sample preparation. A short overview of ambient MS is given including ionisation mechanisms and new exciting developments such as leaf spray. Direct Analysis in Real Time (DART) and Desorption Electrospray Ionisation (DESI) applications from the author's group in the field of natural products chemistry are presented. In particular DART-MS is a versatile, easy to handle and fast technique allowing even quantitative measurements of secondary plant metabolites such as alkaloids, terpenes (Ginkgo, star anise) and flavonoids. Fig. A shows the DART-MS of toxic Japanese star anise with a clear peak for the neurotoxin anisatin at m/z 327.107. Chinese star anise lacks this peak (Fig. B). This result was obtained in seconds without any sample preparation. In combination with high-resolution MS it can be used for quality control, adulteration detection, metabolomics and screening of herbal products. It can also be hyphenated to HPLC or TLC. A comparison of DART and DESI-MS in terms of scope, figures of merit and limitations is made.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry with collision-induced dissociation for structural analysis of synthetic cannabinoids.\n \n \n \n \n\n\n \n Musah, R. A.; Domin, M. A.; Cody, R. B.; Lesiak, A. D.; John Dane, A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(19): 2335–2342. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{musah_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry with collision-induced dissociation for structural analysis of synthetic cannabinoids},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6354},\n\tdoi = {10.1002/rcm.6354},\n\tabstract = {RATIONALE\n\nThe emergence of numerous cannabinoid designer drugs has been tied to large spikes in emergency room visits and overdoses. Identifying these substances is difficult for the following reasons: (1) the compounds are novel, closely structurally related, and do not usually test positive in drug screens; (2) novel analogs rapidly appear on the market; (3) no standard protocols exist for their identification; and (4) customized and extensive sample preparation/extraction and analysis procedures are required to demonstrate their presence. \n\nMETHODS\n\nDirect analysis in real time mass spectrometry (DART-MS) employing collision-induced dissociation (CID) provided confirmatory structural information that was useful in characterizing the various cannabinoid analogs, including those contained in mixtures. CID analysis illustrated that, although closely related compounds fragment in a similar fashion, their structural differences still resulted in multiple diagnostic peaks that provided additional confidence towards structural identification. \n\nRESULTS\n\nDART-MS spectra were acquired under CID conditions to rapidly differentiate among five synthetic cannabinoids contained within 'herbal' products purchased locally in New York State (USA). The spectra exhibited [M+H]+ ions and product ions unique to each cannabinoid that corresponded to major structural features. Five different cannabinoid analogs, alone and as mixtures of at least two cannabinoids, were identified in six herbal products and differentiated by their CID product ion patterns. \n\nCONCLUSIONS\n\nIllicit synthetic cannabinoid products continue to be readily available despite national and international restrictions. These products contain a wide range of active components, and, in many cases, multiple active ingredients. DART-MS allows rapid analyses of these synthetic cannabinoids based on the exact masses of their [M+H]+ ions and product ion peaks generated using CID. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {19},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Domin, Marek A. and Cody, Robert B. and Lesiak, Ashton D. and John Dane, A. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tpages = {2335--2342},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n RATIONALE The emergence of numerous cannabinoid designer drugs has been tied to large spikes in emergency room visits and overdoses. Identifying these substances is difficult for the following reasons: (1) the compounds are novel, closely structurally related, and do not usually test positive in drug screens; (2) novel analogs rapidly appear on the market; (3) no standard protocols exist for their identification; and (4) customized and extensive sample preparation/extraction and analysis procedures are required to demonstrate their presence. METHODS Direct analysis in real time mass spectrometry (DART-MS) employing collision-induced dissociation (CID) provided confirmatory structural information that was useful in characterizing the various cannabinoid analogs, including those contained in mixtures. CID analysis illustrated that, although closely related compounds fragment in a similar fashion, their structural differences still resulted in multiple diagnostic peaks that provided additional confidence towards structural identification. RESULTS DART-MS spectra were acquired under CID conditions to rapidly differentiate among five synthetic cannabinoids contained within 'herbal' products purchased locally in New York State (USA). The spectra exhibited [M+H]+ ions and product ions unique to each cannabinoid that corresponded to major structural features. Five different cannabinoid analogs, alone and as mixtures of at least two cannabinoids, were identified in six herbal products and differentiated by their CID product ion patterns. CONCLUSIONS Illicit synthetic cannabinoid products continue to be readily available despite national and international restrictions. These products contain a wide range of active components, and, in many cases, multiple active ingredients. DART-MS allows rapid analyses of these synthetic cannabinoids based on the exact masses of their [M+H]+ ions and product ion peaks generated using CID. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry for the rapid identification of four highly hazardous pesticides in agrochemicals.\n \n \n \n \n\n\n \n Wang, L.; Zhao, P.; Zhang, F.; Li, Y.; and Pan, C.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(16): 1859–1867. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{wang_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry for the rapid identification of four highly hazardous pesticides in agrochemicals},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6274},\n\tdoi = {10.1002/rcm.6274},\n\tabstract = {RATIONALE\nDirect analysis in real time (DART) is a new ion source technique, which is conducted in the open air under ambient conditions, applied to the rapid and direct analysis of any material (gases, liquids, and solids) with minimal or no sample preparation. In order to take advantage of the capacity of DART mass spectrometry for the real-time analysis of hazardous ingredients in commercial agrochemicals, a pilot study of rapid qualitative determination of hazardous pesticides was performed. \nMETHODS\nHighly hazardous pesticides were identified by DART ionization coupled to a single-quadrupole mass spectrometer (DART-MS). Acetonitrile was chosen for dissolving samples prior to the analysis. Samples were analyzed by this technique in as little as 5 s. \nRESULTS\nPhorate, carbofuran, ethoprophos and fipronil were be detected directly from commercial agrochemicals. The ionization-related parameters (DART temperature, grid voltage and MS fragment) of these compounds were optimized to obtain highly response. Isotope patterns were taken into consideration for qualitative identification. Relative standard deviations (RSDs, n = 5) of 2.3–15.0\\% were obtained by measuring the relative abundance of selected isotopes. \nCONCLUSIONS\nThis study showed that DART-MS technology was able to qualitatively determine the existence of highly hazardous pesticides in commercial pesticide formulations. It is suggested that this technology should be applied for routine monitoring in the market. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {16},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Wang, Lei and Zhao, Pengyue and Zhang, Fengzu and Li, Yanjie and Pan, Canping},\n\tyear = {2012},\n\tpages = {1859--1867},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Direct analysis in real time (DART) is a new ion source technique, which is conducted in the open air under ambient conditions, applied to the rapid and direct analysis of any material (gases, liquids, and solids) with minimal or no sample preparation. In order to take advantage of the capacity of DART mass spectrometry for the real-time analysis of hazardous ingredients in commercial agrochemicals, a pilot study of rapid qualitative determination of hazardous pesticides was performed. METHODS Highly hazardous pesticides were identified by DART ionization coupled to a single-quadrupole mass spectrometer (DART-MS). Acetonitrile was chosen for dissolving samples prior to the analysis. Samples were analyzed by this technique in as little as 5 s. RESULTS Phorate, carbofuran, ethoprophos and fipronil were be detected directly from commercial agrochemicals. The ionization-related parameters (DART temperature, grid voltage and MS fragment) of these compounds were optimized to obtain highly response. Isotope patterns were taken into consideration for qualitative identification. Relative standard deviations (RSDs, n = 5) of 2.3–15.0% were obtained by measuring the relative abundance of selected isotopes. CONCLUSIONS This study showed that DART-MS technology was able to qualitatively determine the existence of highly hazardous pesticides in commercial pesticide formulations. It is suggested that this technology should be applied for routine monitoring in the market. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Detection of nitro-organic and peroxide explosives in latent fingermarks by DART- and SALDI-TOF-mass spectrometry.\n \n \n \n \n\n\n \n Rowell, F.; Seviour, J.; Lim, A. Y.; Elumbaring-Salazar, C. G.; Loke, J.; and Ma, J.\n\n\n \n\n\n\n Forensic Science International, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{rowell_detection_2012,\n\ttitle = {Detection of nitro-organic and peroxide explosives in latent fingermarks by {DART}- and {SALDI}-{TOF}-mass spectrometry},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073812001703},\n\tdoi = {10.1016/j.forsciint.2012.04.007},\n\tabstract = {The ability of two mass spectrometric methods, surface-assisted laser desorption/ionization-time of flight-mass spectrometry (SALDI-TOF-MS) and direct analysis in real time (DART-MS), to detect the presence of seven common explosives (six nitro-organic- and one peroxide-type) in spiked latent fingermarks has been examined. It was found that each explosive could be detected with nanogram sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-TOF-MS for marks pre-dusted with one type of commercial black magnetic powder. These explosives also could be detected in latent marks lifted from six common surfaces (paper, plastic bag, metal drinks can, wood laminate, adhesive tape and white ceramic tile) whereas no explosive could be detected in equivalent pre-dusted marks on the surface of a commercial lifting tape by the DART-MS method due to high background interference from the tape material. The presence of TNT and Tetryl could be detected in pre-dusted latent fingermarks on a commercial lifting tape for up to 29 days sealed and stored under ambient conditions.},\n\tnumber = {0},\n\tjournal = {Forensic Science International},\n\tauthor = {Rowell, Frederick and Seviour, John and Lim, Angelina Yimei and Elumbaring-Salazar, Cheryl Grace and Loke, Jason and Ma, Jan},\n\tyear = {2012},\n\tkeywords = {Contact residues, DART-mass spectrometry, Dusting powder, Lifted latent fingermarks, Nitro-organic and peroxide explosives, SALDI-TOF-mass spectrometry, Stability},\n}\n\n\n\n
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\n The ability of two mass spectrometric methods, surface-assisted laser desorption/ionization-time of flight-mass spectrometry (SALDI-TOF-MS) and direct analysis in real time (DART-MS), to detect the presence of seven common explosives (six nitro-organic- and one peroxide-type) in spiked latent fingermarks has been examined. It was found that each explosive could be detected with nanogram sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-TOF-MS for marks pre-dusted with one type of commercial black magnetic powder. These explosives also could be detected in latent marks lifted from six common surfaces (paper, plastic bag, metal drinks can, wood laminate, adhesive tape and white ceramic tile) whereas no explosive could be detected in equivalent pre-dusted marks on the surface of a commercial lifting tape by the DART-MS method due to high background interference from the tape material. The presence of TNT and Tetryl could be detected in pre-dusted latent fingermarks on a commercial lifting tape for up to 29 days sealed and stored under ambient conditions.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time by Mass Spectrometric Technique for Determining the Variation in Metabolite Profiles of Cinnamomum tamala Nees and Eberm Genotypes.\n \n \n \n \n\n\n \n Singh, V.; Gupta, A. K.; Singh, S. P.; and Kumar, A.\n\n\n \n\n\n\n The Scientific World Journal, 2012: 6. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{singh_direct_2012,\n\ttitle = {Direct {Analysis} in {Real} {Time} by {Mass} {Spectrometric} {Technique} for {Determining} the {Variation} in {Metabolite} {Profiles} of {Cinnamomum} tamala {Nees} and {Eberm} {Genotypes}},\n\tvolume = {2012},\n\turl = {http://dx.doi.org/10.1100/2012/549265},\n\tabstract = {Cinnamomum tamala Nees \\& Eberm. is an important traditional  medicinal plant, mentioned in various ancient  literatures such as Ayurveda. Several of its medicinal properties have recently been proved. To characterize diversity in terms of metabolite profiles of Cinnamomum tamala Nees and Eberm genotypes, a newly emerging mass spectral ionization technique direct time in real time (DART) is very helpful. The DART ion source has been used to analyze an extremely wide range of phytochemicals present in leaves of Cinnamomum tamala. Ten genotypes were assessed for the presence of different phytochemicals. Phytochemical analysis showed the presence of mainly terpenes and phenols. These constituents vary in the different genotypes of Cinnamomum tamala. Principal component analysis has also been employed to analyze the DART data of these Cinnamomum genotypes. The result shows that the genotype of Cinnamomum tamala could be differentiated using DART MS data. The active components present in Cinnamomum tamala may be contributing significantly to high amount of antioxidant property of leaves and, in turn, conditional effects for diabetic patients.},\n\tjournal = {The Scientific World Journal},\n\tauthor = {Singh, Vineeta and Gupta, Atul Kumar and Singh, S. P. and Kumar, Anil},\n\tyear = {2012},\n\tpages = {6},\n}\n\n\n\n
\n
\n\n\n
\n Cinnamomum tamala Nees & Eberm. is an important traditional medicinal plant, mentioned in various ancient literatures such as Ayurveda. Several of its medicinal properties have recently been proved. To characterize diversity in terms of metabolite profiles of Cinnamomum tamala Nees and Eberm genotypes, a newly emerging mass spectral ionization technique direct time in real time (DART) is very helpful. The DART ion source has been used to analyze an extremely wide range of phytochemicals present in leaves of Cinnamomum tamala. Ten genotypes were assessed for the presence of different phytochemicals. Phytochemical analysis showed the presence of mainly terpenes and phenols. These constituents vary in the different genotypes of Cinnamomum tamala. Principal component analysis has also been employed to analyze the DART data of these Cinnamomum genotypes. The result shows that the genotype of Cinnamomum tamala could be differentiated using DART MS data. The active components present in Cinnamomum tamala may be contributing significantly to high amount of antioxidant property of leaves and, in turn, conditional effects for diabetic patients.\n
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\n \n\n \n \n \n \n \n \n Fingerprinting food: current technologies for the detection of food adulteration and contamination.\n \n \n \n \n\n\n \n Ellis, D. I.; Brewster, V. L.; Dunn, W. B.; Allwood, J. W.; Golovanov, A. P.; and Goodacre, R.\n\n\n \n\n\n\n Chem. Soc. Rev.. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"FingerprintingPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{ellis_fingerprinting_2012,\n\ttitle = {Fingerprinting food: current technologies for the detection of food adulteration and contamination},\n\tissn = {0306-0012},\n\turl = {http://dx.doi.org/10.1039/C2CS35138B},\n\tabstract = {Major food adulteration and contamination events seem to occur with some regularity, such as the widely publicised adulteration of milk products with melamine and the recent microbial contamination of vegetables across Europe for example. With globalisation and rapid distribution systems, these can have international impacts with far-reaching and sometimes lethal consequences. These events, though potentially global in the modern era, are in fact far from contemporary, and deliberate adulteration of food products is probably as old as the food processing and production systems themselves. This review first introduces some background into these practices, both historically and contemporary, before introducing a range of the technologies currently available for the detection of food adulteration and contamination. These methods include the vibrational spectroscopies: near-infrared, mid-infrared, Raman; NMR spectroscopy, as well as a range of mass spectrometry (MS) techniques, amongst others. This subject area is particularly relevant at this time, as it not only concerns the continuous engagement with food adulterers, but also more recent issues such as food security, bioterrorism and climate change. It is hoped that this introductory overview acts as a springboard for researchers in science, technology, engineering, and industry, in this era of systems-level thinking and interdisciplinary approaches to new and contemporary problems.},\n\tjournal = {Chem. Soc. Rev.},\n\tauthor = {Ellis, David I. and Brewster, Victoria L. and Dunn, Warwick B. and Allwood, J. William and Golovanov, Alexander P. and Goodacre, Royston},\n\tyear = {2012},\n}\n\n\n\n
\n
\n\n\n
\n Major food adulteration and contamination events seem to occur with some regularity, such as the widely publicised adulteration of milk products with melamine and the recent microbial contamination of vegetables across Europe for example. With globalisation and rapid distribution systems, these can have international impacts with far-reaching and sometimes lethal consequences. These events, though potentially global in the modern era, are in fact far from contemporary, and deliberate adulteration of food products is probably as old as the food processing and production systems themselves. This review first introduces some background into these practices, both historically and contemporary, before introducing a range of the technologies currently available for the detection of food adulteration and contamination. These methods include the vibrational spectroscopies: near-infrared, mid-infrared, Raman; NMR spectroscopy, as well as a range of mass spectrometry (MS) techniques, amongst others. This subject area is particularly relevant at this time, as it not only concerns the continuous engagement with food adulterers, but also more recent issues such as food security, bioterrorism and climate change. It is hoped that this introductory overview acts as a springboard for researchers in science, technology, engineering, and industry, in this era of systems-level thinking and interdisciplinary approaches to new and contemporary problems.\n
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\n \n\n \n \n \n \n \n \n Graphite-Coated Paper as Substrate for High Sensitivity Analysis in Ambient Surface-Assisted Laser Desorption/Ionization Mass Spectrometry.\n \n \n \n \n\n\n \n Zhang, J.; Li, Z.; Zhang, C.; Feng, B.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Anal. Chem., 84(7): 3296–3301. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"Graphite-CoatedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhang_graphite-coated_2012,\n\ttitle = {Graphite-{Coated} {Paper} as {Substrate} for {High} {Sensitivity} {Analysis} in {Ambient} {Surface}-{Assisted} {Laser} {Desorption}/{Ionization} {Mass} {Spectrometry}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac300002g},\n\tdoi = {10.1021/ac300002g},\n\tabstract = {In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.\nIn this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.},\n\tnumber = {7},\n\tjournal = {Anal. Chem.},\n\tauthor = {Zhang, Jialing and Li, Ze and Zhang, Chengsen and Feng, Baosheng and Zhou, Zhigui and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tpages = {3296--3301},\n}\n\n\n\n
\n
\n\n\n
\n In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules. In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry and multivariate data analysis: A novel approach to rapid identification of analytical markers for quality control of traditional Chinese medicine preparation.\n \n \n \n \n\n\n \n Zeng, S.; Wang, L.; Chen, T.; Wang, Y.; Mo, H.; and Qu, H.\n\n\n \n\n\n\n Analytica Chimica Acta, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zeng_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry and multivariate data analysis: {A} novel approach to rapid identification of analytical markers for quality control of traditional {Chinese} medicine preparation},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S000326701200596X},\n\tdoi = {10.1016/j.aca.2012.04.025},\n\tabstract = {The paper presents a novel strategy to identify analytical markers of traditional Chinese medicine preparation (TCMP) rapidly via direct analysis in real time mass spectrometry (DART-MS). A commonly used TCMP, Danshen injection, was employed as a model. The optimal analysis conditions were achieved by measuring the contribution of various experimental parameters to the mass spectra. Salvianolic acids and saccharides were simultaneously determined within a single 1-min DART-MS run. Furthermore, spectra of Danshen injections supplied by five manufacturers were processed with principal component analysis (PCA). Obvious clustering was observed in the PCA score plot, and candidate markers were recognized from the contribution plots of PCA. The suitability of potential markers was then confirmed by contrasting with the results of traditional analysis methods. Using this strategy, fructose, glucose, sucrose, protocatechuic aldehyde and salvianolic acid A were rapidly identified as the markers of Danshen injections. The combination of DART-MS with PCA provides a reliable approach to the identification of analytical markers for quality control of TCMP.},\n\tnumber = {0},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zeng, Shanshan and Wang, Lu and Chen, Teng and Wang, Yuefei and Mo, Huanbiao and Qu, Haibin},\n\tyear = {2012},\n\tkeywords = {Analytical marker, Direct analysis in real time, Principal component analysis, Traditional Chinese medicine preparation, mass spectrometry},\n}\n\n\n\n
\n
\n\n\n
\n The paper presents a novel strategy to identify analytical markers of traditional Chinese medicine preparation (TCMP) rapidly via direct analysis in real time mass spectrometry (DART-MS). A commonly used TCMP, Danshen injection, was employed as a model. The optimal analysis conditions were achieved by measuring the contribution of various experimental parameters to the mass spectra. Salvianolic acids and saccharides were simultaneously determined within a single 1-min DART-MS run. Furthermore, spectra of Danshen injections supplied by five manufacturers were processed with principal component analysis (PCA). Obvious clustering was observed in the PCA score plot, and candidate markers were recognized from the contribution plots of PCA. The suitability of potential markers was then confirmed by contrasting with the results of traditional analysis methods. Using this strategy, fructose, glucose, sucrose, protocatechuic aldehyde and salvianolic acid A were rapidly identified as the markers of Danshen injections. The combination of DART-MS with PCA provides a reliable approach to the identification of analytical markers for quality control of TCMP.\n
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\n \n\n \n \n \n \n \n \n The evaluation and implementation of direct analysis in real time quadrupole time-of-flight tandem mass spectrometry for characterization and quantification of geniposide in Re Du Ning Injections.\n \n \n \n \n\n\n \n Li, Y.; Wang, Z.; Bi, Y.; Ding, G.; Sheng, L.; Qin, J.; Xiao, W.; Li, J.; Wang, Y.; and Wang, X.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(11): 1377–1384. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_evaluation_2012,\n\ttitle = {The evaluation and implementation of direct analysis in real time quadrupole time-of-flight tandem mass spectrometry for characterization and quantification of geniposide in {Re} {Du} {Ning} {Injections}},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6235},\n\tdoi = {10.1002/rcm.6235},\n\tabstract = {RATIONALE\nThe Direct Analysis in Real Time (DART) ionization source coupled with a quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples from complex Chinese herbal preparations without sample cleanup or chromatographic separation. \nMETHODS\nIn this work, a method based on DART/Q-TOF MS/MS has been developed for rapid determination of geniposide present in 'Re Du Ning Injections', a Chinese herbal preparation. The method has been evaluated for both qualitative and quantitative analysis of geniposide in Re Du Ning Injections. \nRESULTS\nVariables including polarity for ion detection, DART gas heater temperature, matrix effect and sample presentation speed were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision and accuracy by using both internal and external standards. A comparison of the results obtained using the DART-based method was made with those obtained using a conventional High-Performance Liquid Chromatography/Diode-Array Detector (HPLC/DAD) by analyzing geniposide in four batches of Re Du Ning Injections. \nCONCLUSIONS\nThe DART/Q-TOF MS/MS-based method provides a rapid, efficient and powerful method to analyze compounds from complex Traditional Chinese Medicines with limited sample preparation thus reducing time and complexity of quality control for those materials. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {11},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Li, Yan-Jing and Wang, Zhen-Zhong and Bi, Yu-An and Ding, Gang and Sheng, Long-Sheng and Qin, Jian-Ping and Xiao, Wei and Li, Jia-Chun and Wang, Yong-Xiang and Wang, Xue},\n\tyear = {2012},\n\tpages = {1377--1384},\n}\n\n\n\n
\n
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\n RATIONALE The Direct Analysis in Real Time (DART) ionization source coupled with a quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples from complex Chinese herbal preparations without sample cleanup or chromatographic separation. METHODS In this work, a method based on DART/Q-TOF MS/MS has been developed for rapid determination of geniposide present in 'Re Du Ning Injections', a Chinese herbal preparation. The method has been evaluated for both qualitative and quantitative analysis of geniposide in Re Du Ning Injections. RESULTS Variables including polarity for ion detection, DART gas heater temperature, matrix effect and sample presentation speed were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision and accuracy by using both internal and external standards. A comparison of the results obtained using the DART-based method was made with those obtained using a conventional High-Performance Liquid Chromatography/Diode-Array Detector (HPLC/DAD) by analyzing geniposide in four batches of Re Du Ning Injections. CONCLUSIONS The DART/Q-TOF MS/MS-based method provides a rapid, efficient and powerful method to analyze compounds from complex Traditional Chinese Medicines with limited sample preparation thus reducing time and complexity of quality control for those materials. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Reusable Solid Phase Microextraction Coating for Direct Immersion Whole Blood Analysis and Extracted Blood Spot Sampling Coupled with LC-MS/MS and DART-MS/MS.\n \n \n \n \n\n\n \n Mirnaghi, F.; and Pawliszyn, J.\n\n\n \n\n\n\n Anal. Chem.. August 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ReusablePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{mirnaghi_reusable_2012,\n\ttitle = {Reusable {Solid} {Phase} {Microextraction} {Coating} for {Direct} {Immersion} {Whole} {Blood} {Analysis} and {Extracted} {Blood} {Spot} {Sampling} {Coupled} with {LC}-{MS}/{MS} and {DART}-{MS}/{MS}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3018229},\n\tdoi = {10.1021/ac3018229},\n\tabstract = {Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12\\% using external calibration and 4\\% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.\nThree different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12\\% using external calibration and 4\\% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.},\n\tjournal = {Anal. Chem.},\n\tauthor = {Mirnaghi, Fatemeh and Pawliszyn, Janusz},\n\tmonth = aug,\n\tyear = {2012},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12% using external calibration and 4% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam. Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12% using external calibration and 4% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.\n
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\n \n\n \n \n \n \n \n \n ID-CUBE direct analysis in real time high-resolution mass spectrometry and its capabilities in the identification of phenolic components from the green leaves of Bergenia crassifolia L.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Crawford, E. A.; Shikov, A. N.; Pozharitskaya, O. N.; Makarov, V. G.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(11): 1329–1337. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ID-CUBEPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{chernetsova_id-cube_2012,\n\ttitle = {{ID}-{CUBE} direct analysis in real time high-resolution mass spectrometry and its capabilities in the identification of phenolic components from the green leaves of {Bergenia} crassifolia {L}.},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6226},\n\tdoi = {10.1002/rcm.6226},\n\tabstract = {RATIONALE\nBergenia crassifolia is a plant widely used in herbal medicine. Its chemical composition has been little studied, and no studies using high-resolution mass spectrometry (HRMS) have been performed. Its phenolic components are of particular interest, due to the interest in such compounds in medicine and cosmetics. The ID-CUBE, a simplified Direct Analysis in Real Time (DART) ion source, suitable for the fast MS analysis of liquids without complex sample preparation, offers a new method of studying extracts of such plant. Coupling the ID-CUBE with a high-resolution mass spectrometer can provide identification of extract components. \nMETHODS\nMass spectral conditions were optimized for model solutions of the flavonoid naringenin and used for the identification of phenolic compounds in green leaves extracts of Bergenia crassifolia. OpenSpot sample cards with a metal grid surface were used for sample introduction into the ID-CUBE ion source on an Obitrap mass spectrometer. The samples were applied as 5-μL aliquots of the extract onto the metal grid of the card. Sample ionization was stimulated in the ion source within 20 s by applying an electric current to the metal grid to thermally desorb the analytes into the gas flow of metastable helium atoms from the ID-CUBE. \nRESULTS\nElemental compositions were assigned to abundant ions in the mass spectra of the extracts. The major phenolic components were confirmed by their [M–H]– ions. Thirty-six other marker ions were found, and elemental compositions were suggested for 30\\% of them, based on a search for compounds found in herbal extracts. \nCONCLUSIONS\nThe ID-CUBE–Orbitrap MS coupling allowed the rapid accurate mass determination of the phenolic components (and other compounds) in herbal extracts. Higher confidence in component identification could be provided by using additional structural elucidation methods, including tandem mass spectrometry (MS/MS), and this will be the focus of future studies. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {11},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Crawford, Elizabeth A. and Shikov, Alexander N. and Pozharitskaya, Olga N. and Makarov, Valery G. and Morlock, Gertrud E.},\n\tyear = {2012},\n\tpages = {1329--1337},\n}\n\n\n\n
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\n RATIONALE Bergenia crassifolia is a plant widely used in herbal medicine. Its chemical composition has been little studied, and no studies using high-resolution mass spectrometry (HRMS) have been performed. Its phenolic components are of particular interest, due to the interest in such compounds in medicine and cosmetics. The ID-CUBE, a simplified Direct Analysis in Real Time (DART) ion source, suitable for the fast MS analysis of liquids without complex sample preparation, offers a new method of studying extracts of such plant. Coupling the ID-CUBE with a high-resolution mass spectrometer can provide identification of extract components. METHODS Mass spectral conditions were optimized for model solutions of the flavonoid naringenin and used for the identification of phenolic compounds in green leaves extracts of Bergenia crassifolia. OpenSpot sample cards with a metal grid surface were used for sample introduction into the ID-CUBE ion source on an Obitrap mass spectrometer. The samples were applied as 5-μL aliquots of the extract onto the metal grid of the card. Sample ionization was stimulated in the ion source within 20 s by applying an electric current to the metal grid to thermally desorb the analytes into the gas flow of metastable helium atoms from the ID-CUBE. RESULTS Elemental compositions were assigned to abundant ions in the mass spectra of the extracts. The major phenolic components were confirmed by their [M–H]– ions. Thirty-six other marker ions were found, and elemental compositions were suggested for 30% of them, based on a search for compounds found in herbal extracts. CONCLUSIONS The ID-CUBE–Orbitrap MS coupling allowed the rapid accurate mass determination of the phenolic components (and other compounds) in herbal extracts. Higher confidence in component identification could be provided by using additional structural elucidation methods, including tandem mass spectrometry (MS/MS), and this will be the focus of future studies. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Rapid quality assessment of Radix Aconiti Preparata using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Zhu, H.; Wang, C.; Qi, Y.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytica Chimica Acta, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zhu_rapid_2012,\n\ttitle = {Rapid quality assessment of {Radix} {Aconiti} {Preparata} using direct analysis in real time ({DART}) mass spectrometry},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267012013451?v=s5},\n\tdoi = {10.1016/j.aca.2012.09.018},\n\tabstract = {This study presents a novel and rapid method to identify chemical markers for the quality control of Radix Aconiti Preparata, a world widely used traditional herbal medicine. In the method, the samples with a fast extraction procedure were analyzed using direct analysis in real time mass spectrometry (DART MS) combined with multivariate data analysis. At present, the quality assessment approach of Radix Aconiti Preparata was based on the two processing methods recorded in Chinese Pharmacopoeia for the purpose of reducing the toxicity of Radix Aconiti and ensuring its clinical therapeutic efficacy. In order to ensure the safety and effectivity in clinical use, the processing degree of Radix Aconiti should be well controlled and assessed. In the paper, hierarchical cluster analysis and principal component analysis were performed to evaluate the DART MS data of Radix Aconiti Preparata samples in different processing times. The results showed that the well processed Radix Aconiti Preparata, unqualified processed and the raw Radix Aconiti could be clustered reasonably corresponding to their constituents. The loading plot shows that the main chemical markers having the most influence on the discrimination amongst the qualified and unqualified samples were mainly some monoester diterpenoid aconitines and diester diterpenoid aconitines, i.e. benzoylmesaconine, hypaconitine, mesaconitine, neoline, benzoylhypaconine, benzoylaconine, fuziline, aconitine and 10-OH-mesaconitine. The established DART MS approach in combination with multivariate data analysis provides a very flexible and reliable method for quality assessment of toxic herbal medicine.},\n\tnumber = {0},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zhu, Hongbin and Wang, Chunyan and Qi, Yao and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tyear = {2012},\n\tkeywords = {Direct analysis in real time, Hierarchical clustering analysis, Principal component analysis, Radix Aconiti, Radix Aconiti Preparata},\n}\n\n\n\n
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\n This study presents a novel and rapid method to identify chemical markers for the quality control of Radix Aconiti Preparata, a world widely used traditional herbal medicine. In the method, the samples with a fast extraction procedure were analyzed using direct analysis in real time mass spectrometry (DART MS) combined with multivariate data analysis. At present, the quality assessment approach of Radix Aconiti Preparata was based on the two processing methods recorded in Chinese Pharmacopoeia for the purpose of reducing the toxicity of Radix Aconiti and ensuring its clinical therapeutic efficacy. In order to ensure the safety and effectivity in clinical use, the processing degree of Radix Aconiti should be well controlled and assessed. In the paper, hierarchical cluster analysis and principal component analysis were performed to evaluate the DART MS data of Radix Aconiti Preparata samples in different processing times. The results showed that the well processed Radix Aconiti Preparata, unqualified processed and the raw Radix Aconiti could be clustered reasonably corresponding to their constituents. The loading plot shows that the main chemical markers having the most influence on the discrimination amongst the qualified and unqualified samples were mainly some monoester diterpenoid aconitines and diester diterpenoid aconitines, i.e. benzoylmesaconine, hypaconitine, mesaconitine, neoline, benzoylhypaconine, benzoylaconine, fuziline, aconitine and 10-OH-mesaconitine. The established DART MS approach in combination with multivariate data analysis provides a very flexible and reliable method for quality assessment of toxic herbal medicine.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry for analysis of sexual assault evidence.\n \n \n \n \n\n\n \n Musah, R. A.; Cody, R. B.; Dane, A. J.; Vuong, A. L.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1039–1046. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{musah_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry for analysis of sexual assault evidence},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6198},\n\tdoi = {10.1002/rcm.6198},\n\tabstract = {RATIONALE\nSexual assault crimes are vastly underreported and suffer from alarmingly low prosecution and conviction rates. The key scientific method to aid in prosecution of such cases is forensic DNA analysis, where biological evidence such as semen collected using a rape test kit is used to determine a suspect's DNA profile. However, the growing awareness by criminals of the importance of DNA in the prosecution of sexual assaults has resulted in increased condom use by assailants as a means to avoid leaving behind their DNA. Thus, other types of trace evidence are important to help corroborate victims' accounts, exonerate the innocent, link suspects to the crime, or confirm penetration. \nMETHODS\nDirect Analysis in Real Time Mass Spectrometry (DART-MS) was employed for the comprehensive characterization of non-DNA trace evidence associated with sexual assault. The ambient ionization method associated with DART-MS is extremely rapid and samples are processed instantaneously, without the need for extraction, sample preparation, or other means that might compromise forensic evidence for future analyses. \nRESULTS\nIn a single assay, we demonstrated the ability to identify lubricant formulations associated with sexual assault, such as the spermicide nonoxynol-9, compounds used in condom manufacture, and numerous other trace components as probative evidence. In addition, the method can also serve to identify compounds within trace biological residues, such as fatty acids commonly identified in latent fingerprints. \nCONCLUSIONS\nCharacterization of lubricant residues as probative evidence serves to establish a connection between the victim and the perpetrator, and the availability of these details may lead to higher rates of prosecution and conviction, as well as more severe penalties. The methodology described here opens the way for the adoption of a comprehensive, rapid, and sensitive analysis for use in crime labs, while providing knowledge that can inform and guide criminal justice policy and practice. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Cody, Robert B. and Dane, A. John and Vuong, Angela L. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1039--1046},\n}\n\n\n\n
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\n RATIONALE Sexual assault crimes are vastly underreported and suffer from alarmingly low prosecution and conviction rates. The key scientific method to aid in prosecution of such cases is forensic DNA analysis, where biological evidence such as semen collected using a rape test kit is used to determine a suspect's DNA profile. However, the growing awareness by criminals of the importance of DNA in the prosecution of sexual assaults has resulted in increased condom use by assailants as a means to avoid leaving behind their DNA. Thus, other types of trace evidence are important to help corroborate victims' accounts, exonerate the innocent, link suspects to the crime, or confirm penetration. METHODS Direct Analysis in Real Time Mass Spectrometry (DART-MS) was employed for the comprehensive characterization of non-DNA trace evidence associated with sexual assault. The ambient ionization method associated with DART-MS is extremely rapid and samples are processed instantaneously, without the need for extraction, sample preparation, or other means that might compromise forensic evidence for future analyses. RESULTS In a single assay, we demonstrated the ability to identify lubricant formulations associated with sexual assault, such as the spermicide nonoxynol-9, compounds used in condom manufacture, and numerous other trace components as probative evidence. In addition, the method can also serve to identify compounds within trace biological residues, such as fatty acids commonly identified in latent fingerprints. CONCLUSIONS Characterization of lubricant residues as probative evidence serves to establish a connection between the victim and the perpetrator, and the availability of these details may lead to higher rates of prosecution and conviction, as well as more severe penalties. The methodology described here opens the way for the adoption of a comprehensive, rapid, and sensitive analysis for use in crime labs, while providing knowledge that can inform and guide criminal justice policy and practice. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Analysis of select Dalbergia and trade timber using direct analysis in real time and time-of-flight mass spectrometry for CITES enforcement.\n \n \n \n \n\n\n \n Lancaster, C.; and Espinoza, E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1147–1156. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{lancaster_analysis_2012,\n\ttitle = {Analysis of select {Dalbergia} and trade timber using direct analysis in real time and time-of-flight mass spectrometry for {CITES} enforcement},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6215},\n\tdoi = {10.1002/rcm.6215},\n\tabstract = {RATIONALE\nInternational trade of several Dalbergia wood species is regulated by The Convention on International Trade in Endangered Species of Wild Fauna and Flora (CITES). In order to supplement morphological identification of these species, a rapid chemical method of analysis was developed. \nMETHODS\nUsing Direct Analysis in Real Time (DART) ionization coupled with Time-of-Flight (TOF) Mass Spectrometry (MS), selected Dalbergia and common trade species were analyzed. Each of the 13 wood species was classified using principal component analysis and linear discriminant analysis (LDA). These statistical data clusters served as reliable anchors for species identification of unknowns. \nRESULTS\nAnalysis of 20 or more samples from the 13 species studied in this research indicates that the DART-TOFMS results are reproducible. Statistical analysis of the most abundant ions gave good classifications that were useful for identifying unknown wood samples. \nCONCLUSIONS\nDART-TOFMS and LDA analysis of 13 species of selected timber samples and the statistical classification allowed for the correct assignment of unknown wood samples. This method is rapid and can be useful when anatomical identification is difficult but needed in order to support CITES enforcement. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Lancaster, Cady and Espinoza, Edgard},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1147--1156},\n}\n\n\n\n
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\n RATIONALE International trade of several Dalbergia wood species is regulated by The Convention on International Trade in Endangered Species of Wild Fauna and Flora (CITES). In order to supplement morphological identification of these species, a rapid chemical method of analysis was developed. METHODS Using Direct Analysis in Real Time (DART) ionization coupled with Time-of-Flight (TOF) Mass Spectrometry (MS), selected Dalbergia and common trade species were analyzed. Each of the 13 wood species was classified using principal component analysis and linear discriminant analysis (LDA). These statistical data clusters served as reliable anchors for species identification of unknowns. RESULTS Analysis of 20 or more samples from the 13 species studied in this research indicates that the DART-TOFMS results are reproducible. Statistical analysis of the most abundant ions gave good classifications that were useful for identifying unknown wood samples. CONCLUSIONS DART-TOFMS and LDA analysis of 13 species of selected timber samples and the statistical classification allowed for the correct assignment of unknown wood samples. This method is rapid and can be useful when anatomical identification is difficult but needed in order to support CITES enforcement. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Rapid classification of White Oak (Quercus alba) and Northern Red Oak (Quercus rubra) by using pyrolysis direct analysis in real time (DART™) and time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Cody, R. B.; Dane, A. J.; Dawson-Andoh, B.; Adedipe, E. O.; and Nkansah, K.\n\n\n \n\n\n\n Journal of Analytical and Applied Pyrolysis, 95(0): 134–137. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{cody_rapid_2012,\n\ttitle = {Rapid classification of {White} {Oak} ({Quercus} alba) and {Northern} {Red} {Oak} ({Quercus} rubra) by using pyrolysis direct analysis in real time ({DART}™) and time-of-flight mass spectrometry},\n\tvolume = {95},\n\tissn = {0165-2370},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0165237012000204},\n\tdoi = {10.1016/j.jaap.2012.01.018},\n\tabstract = {Thirty-four samples of Red Oak (Quercus rubra) and fifty samples of White Oak (Quercus alba) were analyzed by pyrolytic direct analysis in real time (DART) ionization coupled with time-of-flight (TOF) mass spectrometry. Although significant differences were not observed in the positive-ion mass spectra, the negative-ion mass spectra showed clear differences. Principal component analysis (PCA) and linear discriminant analysis (LDA) were calculated for the relative abundances of 11 peaks in the negative-ion mass spectra including peaks tentatively assigned as representing deprotonated acetic, malic, gallic, dimethoxycinnamic, and ellagic acids. Leave one out cross validation (LOOCV) was 100\\% successful in classifying the samples for both PCA and LDA.},\n\tnumber = {0},\n\tjournal = {Journal of Analytical and Applied Pyrolysis},\n\tauthor = {Cody, Robert B. and Dane, A. John and Dawson-Andoh, Benjamin and Adedipe, Emmanuel Oluwatosin and Nkansah, Kofi},\n\tyear = {2012},\n\tkeywords = {AccuTOF, Ambient ionization, Direct analysis in real time, Red oak, Time-of-flight, White oak},\n\tpages = {134--137},\n}\n\n\n\n
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\n Thirty-four samples of Red Oak (Quercus rubra) and fifty samples of White Oak (Quercus alba) were analyzed by pyrolytic direct analysis in real time (DART) ionization coupled with time-of-flight (TOF) mass spectrometry. Although significant differences were not observed in the positive-ion mass spectra, the negative-ion mass spectra showed clear differences. Principal component analysis (PCA) and linear discriminant analysis (LDA) were calculated for the relative abundances of 11 peaks in the negative-ion mass spectra including peaks tentatively assigned as representing deprotonated acetic, malic, gallic, dimethoxycinnamic, and ellagic acids. Leave one out cross validation (LOOCV) was 100% successful in classifying the samples for both PCA and LDA.\n
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\n \n\n \n \n \n \n \n \n Rapid qualitative analysis of phthalates added to food and nutraceutical products by direct analysis in real time/orbitrap mass spectrometry.\n \n \n \n \n\n\n \n Self, R. L.; and Wu, W.\n\n\n \n\n\n\n Food Control, 25(1): 13–16. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{self_rapid_2012,\n\ttitle = {Rapid qualitative analysis of phthalates added to food and nutraceutical products by direct analysis in real time/orbitrap mass spectrometry},\n\tvolume = {25},\n\tissn = {0956-7135},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0956713511004178},\n\tdoi = {10.1016/j.foodcont.2011.10.013},\n\tabstract = {A recent food safety issue involves the contamination of a broad range of food and nutraceutical products from Taiwan with industrial plasticizers. Among the suspected contaminants are selected phthalic acid esters, such as benzyl butyl phthalate, dibutyl phthalate, diisobutyl phthalate, di-2-ethylhexyl phthalate, di-n-octyl phthalate, diisononyl phthalate, and diisodecyl phthalate. Described in this study is an analytical method to rapidly qualitatively analyze these compounds in a wide variety of food and nutraceutical matrices suspected in this crisis. The method utilizes direct analysis in real time (DART) ionization coupled to a Thermo Exactive orbitrap mass spectrometer. The method is shown to be capable of detecting these compounds at levels greater than 1.0 μg/mL in all food products examined and 0.5 μg/mL in most of the samples tested. In the nutraceutical samples tested, the compounds were detected at levels of 50 μg/g for all samples with some detected as low as 1.0 μg/g.},\n\tnumber = {1},\n\tjournal = {Food Control},\n\tauthor = {Self, Randy L. and Wu, Wen-Hsin},\n\tyear = {2012},\n\tkeywords = {Direct analysis in real time (DART), Food safety, Orbitrap, Phthalates, Phthalates; Direct analysis in real time (DART); Orbitrap; Food safety},\n\tpages = {13--16},\n}\n\n\n\n
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\n A recent food safety issue involves the contamination of a broad range of food and nutraceutical products from Taiwan with industrial plasticizers. Among the suspected contaminants are selected phthalic acid esters, such as benzyl butyl phthalate, dibutyl phthalate, diisobutyl phthalate, di-2-ethylhexyl phthalate, di-n-octyl phthalate, diisononyl phthalate, and diisodecyl phthalate. Described in this study is an analytical method to rapidly qualitatively analyze these compounds in a wide variety of food and nutraceutical matrices suspected in this crisis. The method utilizes direct analysis in real time (DART) ionization coupled to a Thermo Exactive orbitrap mass spectrometer. The method is shown to be capable of detecting these compounds at levels greater than 1.0 μg/mL in all food products examined and 0.5 μg/mL in most of the samples tested. In the nutraceutical samples tested, the compounds were detected at levels of 50 μg/g for all samples with some detected as low as 1.0 μg/g.\n
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\n \n\n \n \n \n \n \n \n Analysis of isoflavones in soybeans employing direct analysis in real-time ionization–high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Lojza, J.; Cajka, T.; Schulzova, V.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Separation Science, 35(3): 476–481. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{lojza_analysis_2012,\n\ttitle = {Analysis of isoflavones in soybeans employing direct analysis in real-time ionization–high-resolution mass spectrometry},\n\tvolume = {35},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.201100882},\n\tdoi = {10.1002/jssc.201100882},\n\tabstract = {A direct analysis in real-time (DART) ion source coupled to a high-resolution orbitrap mass spectrometer was used for the quantitative analysis of isoflavones isolated from soybeans. For the isolation of genistein, daidzein, glycitein, and their respective acetyl, malonyl, and glucoside forms, an extraction employing 80\\% aqueous MeOH enhanced by sonication was used. As far as the total isoflavones (expressed as aglycones) were to be determined, an acid hydrolysis with 80\\% aqueous EtOH and refluxing had to be employed, while in the latter case a good agreement of the results with the data generated by the UHPLC-orbitrap MS method was achieved, in the case of the analysis of non-hydrolyzed extracts, some overestimation of the results as compared with those generated by UHPLC-orbitrap MS was observed. A careful investigation of this phenomenon showed that the free aglycones originated from the conjugated forms of isoflavones in the DART ion source, thus contributing significantly to the “free” genistein/daidzein/glycitein signals during the DART analysis. Good recoveries (95–102\\%) and repeatabilities (RSD: 7–15\\%) were obtained at the spiking levels of 0.5, 1, and 0.05 g/kg, for daidzein, genistein, and glycitein, respectively. The limits of detection estimated for the respective analytes were 5 mg/kg.},\n\tnumber = {3},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Lojza, Jaromir and Cajka, Tomas and Schulzova, Vera and Riddellova, Katerina and Hajslova, Jana},\n\tyear = {2012},\n\tkeywords = {Ambient mass spectrometry, Ambient mass spectrometry; Direct analysis in real time; Isoflavones; Phytoestrogens; Soybean; orbitrap, Direct analysis in real time, Isoflavones, Phytoestrogens, Soybean},\n\tpages = {476--481},\n}\n\n\n\n
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\n A direct analysis in real-time (DART) ion source coupled to a high-resolution orbitrap mass spectrometer was used for the quantitative analysis of isoflavones isolated from soybeans. For the isolation of genistein, daidzein, glycitein, and their respective acetyl, malonyl, and glucoside forms, an extraction employing 80% aqueous MeOH enhanced by sonication was used. As far as the total isoflavones (expressed as aglycones) were to be determined, an acid hydrolysis with 80% aqueous EtOH and refluxing had to be employed, while in the latter case a good agreement of the results with the data generated by the UHPLC-orbitrap MS method was achieved, in the case of the analysis of non-hydrolyzed extracts, some overestimation of the results as compared with those generated by UHPLC-orbitrap MS was observed. A careful investigation of this phenomenon showed that the free aglycones originated from the conjugated forms of isoflavones in the DART ion source, thus contributing significantly to the “free” genistein/daidzein/glycitein signals during the DART analysis. Good recoveries (95–102%) and repeatabilities (RSD: 7–15%) were obtained at the spiking levels of 0.5, 1, and 0.05 g/kg, for daidzein, genistein, and glycitein, respectively. The limits of detection estimated for the respective analytes were 5 mg/kg.\n
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\n \n\n \n \n \n \n \n \n Rapid analysis of caffeine in various coffee samples employing direct analysis in real-time ionization–high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Danhelova, H.; Hradecky, J.; Prinosilova, S.; Cajka, T.; Riddellova, K.; Vaclavik, L.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–7. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{danhelova_rapid_2012,\n\ttitle = {Rapid analysis of caffeine in various coffee samples employing direct analysis in real-time ionization–high-resolution mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5820-2},\n\tabstract = {The development and use of a fast method employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) for the quantitative analysis of caffeine in various coffee samples has been demonstrated in this study. A simple sample extraction procedure employing hot water was followed by direct, high-throughput (\\&lt;1 min per run) examination of the extracts spread on a glass rod under optimized conditions of ambient mass spectrometry, without any prior chromatographic separation. For quantification of caffeine using DART-TOFMS, an external calibration was used. Isotopically labeled caffeine was used to compensate for the variations of the ion intensities of caffeine signal. Recoveries of the DART-TOFMS method were 97\\% for instant coffee at the spiking levels of 20 and 60 mg/g, respectively, while for roasted ground coffee, the obtained values were 106\\% and 107\\% at the spiking levels of 10 and 30 mg/g, respectively. The repeatability of the whole analytical procedure (expressed as relative standard deviation, RSD, \\%) was \\&lt;5\\% for all tested spiking levels and matrices. Since the linearity range of the method was relatively narrow (two orders of magnitude), an optimization of sample dilution prior the DART-TOFMS measurement to avoid saturation of the detector was needed.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Danhelova, Hana and Hradecky, Jaromir and Prinosilova, Sarka and Cajka, Tomas and Riddellova, Katerina and Vaclavik, Lukas and Hajslova, Jana},\n\tyear = {2012},\n\tpages = {1--7},\n}\n\n\n\n\n\n\n\n
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\n The development and use of a fast method employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) for the quantitative analysis of caffeine in various coffee samples has been demonstrated in this study. A simple sample extraction procedure employing hot water was followed by direct, high-throughput (<1 min per run) examination of the extracts spread on a glass rod under optimized conditions of ambient mass spectrometry, without any prior chromatographic separation. For quantification of caffeine using DART-TOFMS, an external calibration was used. Isotopically labeled caffeine was used to compensate for the variations of the ion intensities of caffeine signal. Recoveries of the DART-TOFMS method were 97% for instant coffee at the spiking levels of 20 and 60 mg/g, respectively, while for roasted ground coffee, the obtained values were 106% and 107% at the spiking levels of 10 and 30 mg/g, respectively. The repeatability of the whole analytical procedure (expressed as relative standard deviation, RSD, %) was <5% for all tested spiking levels and matrices. Since the linearity range of the method was relatively narrow (two orders of magnitude), an optimization of sample dilution prior the DART-TOFMS measurement to avoid saturation of the detector was needed.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry combined with single-drop liquid–liquid–liquid microextraction for the rapid analysis of multiple phytohormones in fruit juice.\n \n \n \n \n\n\n \n Bai, Y.; Zhang, J.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–8. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{bai_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry combined with single-drop liquid–liquid–liquid microextraction for the rapid analysis of multiple phytohormones in fruit juice},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5728-x},\n\tdoi = {10.1007/s00216-012-5728-x},\n\tabstract = {A rapid, simple, and efficient method for the fast determination of multiple phytohormones was developed in this work, based on single-drop liquid–liquid–liquid microextraction (SD-LLLME) combined with direct analysis in real-time mass spectrometry (DART-MS). Six phytohormones—indole-3-acetic acid (IAA), indole-3-butyric acid (IBA), jasmonic acid (JA), salicylic acid (SA), abscisic acid (ABA), and gibberellin A 3 (GA 3 )—were analyzed simultaneously using this method, and the conditions employed for DART-MS and SD-LLLME were optimized systematically. Satisfactory results were obtained in terms of linearity ( R 2 values for all phytohormones were 0.991–0.996), sensitivity (limits of detection were 0.65–72 ng/mL), and repeatability (RSD values were 6.9–14\\%). In addition, the proposed method was applied to determine the endogenous phytohormones in three kinds of fruit juice. Different concentrations of phytohormones were detected with satisfactory recoveries, and the whole analytical procedure took no more than 30 min. Therefore, this combination of SD-LLLME and DART-MS was shown to be a suitable and effective approach for the fast analysis of targets present at trace level concentrations in complex matrices.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Bai, Yu and Zhang, Jialing and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {Chemistry and Materials Science},\n\tpages = {1--8},\n}\n\n\n\n
\n
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\n A rapid, simple, and efficient method for the fast determination of multiple phytohormones was developed in this work, based on single-drop liquid–liquid–liquid microextraction (SD-LLLME) combined with direct analysis in real-time mass spectrometry (DART-MS). Six phytohormones—indole-3-acetic acid (IAA), indole-3-butyric acid (IBA), jasmonic acid (JA), salicylic acid (SA), abscisic acid (ABA), and gibberellin A 3 (GA 3 )—were analyzed simultaneously using this method, and the conditions employed for DART-MS and SD-LLLME were optimized systematically. Satisfactory results were obtained in terms of linearity ( R 2 values for all phytohormones were 0.991–0.996), sensitivity (limits of detection were 0.65–72 ng/mL), and repeatability (RSD values were 6.9–14%). In addition, the proposed method was applied to determine the endogenous phytohormones in three kinds of fruit juice. Different concentrations of phytohormones were detected with satisfactory recoveries, and the whole analytical procedure took no more than 30 min. Therefore, this combination of SD-LLLME and DART-MS was shown to be a suitable and effective approach for the fast analysis of targets present at trace level concentrations in complex matrices.\n
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\n \n\n \n \n \n \n \n \n Chemometric Classification of Morphologically Similar Umbelliferae Medicinal Herbs by DART-TOF-MS Fingerprint.\n \n \n \n \n\n\n \n Lee, S. M.; Kim, H.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,n/a. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ChemometricPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{lee_chemometric_2012,\n\ttitle = {Chemometric {Classification} of {Morphologically} {Similar} {Umbelliferae} {Medicinal} {Herbs} by {DART}-{TOF}-{MS} {Fingerprint}},\n\tissn = {1099-1565},\n\turl = {http://dx.doi.org/10.1002/pca.2348},\n\tdoi = {10.1002/pca.2348},\n\tabstract = {Introduction\nIt needs many years of special training to gain expertise on the organoleptic classification of botanical raw materials and, even for those experts, discrimination among Umbelliferae medicinal herbs remains an intricate challenge due to their morphological similarity. \nObjective\nTo develop a new chemometric classification method using a direct analysis in real time–time of flight–mass spectrometry (DART-TOF-MS) fingerprinting for Umbelliferae medicinal herbs and to provide a platform for its application to the discrimination of other herbal medicines. \nMethodology\nAngelica tenuissima, Angelica gigas, Angelica dahurica and Cnidium officinale were chosen for this study and ten samples of each species were purchased from various Korean markets. DART-TOF-MS was employed on powdered raw materials to obtain a chemical fingerprint of each sample and the orthogonal partial-least squares method in discriminant analysis (OPLS-DA) was used for multivariate analysis. \nResults\nAll samples of collected species were successfully discriminated from each other according to their characteristic DART-TOF-MS fingerprint. Decursin (or decursinol angelate) and byakangelicol were identified as marker molecules for Angelica gigas and A. dahurica, respectively. Using the OPLS method for discriminant analysis, Angelica tenuissima and Cnidium officinale were clearly separated into two groups. Angelica tenuissima was characterised by the presence of ligustilide and unidentified molecular ions of m/z 239 and 283, while senkyunolide A together with signals with m/z 387 and 389 were the marker compounds for Cnidium officinale. \nConclusion\nElaborating with chemoinformatics, DART-TOF-MS fingerprinting with chemoinformatic tools results in a powerful method for the classification of morphologically similar Umbelliferae medicinal herbs and quality control of medicinal herbal products, including the extracts of these crude drugs. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Lee, Sang Min and Kim, Hye-Jin and Jang, Young Pyo},\n\tyear = {2012},\n\tkeywords = {DART-TOF-MS, DART-TOF-MS; multivariate analysis; OPLS-DA; metabolomics; Umbelliferae; AccuTOF, OPLS-DA, Umbelliferae, metabolomics, multivariate analysis},\n\tpages = {n/a},\n}\n\n\n\n
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\n Introduction It needs many years of special training to gain expertise on the organoleptic classification of botanical raw materials and, even for those experts, discrimination among Umbelliferae medicinal herbs remains an intricate challenge due to their morphological similarity. Objective To develop a new chemometric classification method using a direct analysis in real time–time of flight–mass spectrometry (DART-TOF-MS) fingerprinting for Umbelliferae medicinal herbs and to provide a platform for its application to the discrimination of other herbal medicines. Methodology Angelica tenuissima, Angelica gigas, Angelica dahurica and Cnidium officinale were chosen for this study and ten samples of each species were purchased from various Korean markets. DART-TOF-MS was employed on powdered raw materials to obtain a chemical fingerprint of each sample and the orthogonal partial-least squares method in discriminant analysis (OPLS-DA) was used for multivariate analysis. Results All samples of collected species were successfully discriminated from each other according to their characteristic DART-TOF-MS fingerprint. Decursin (or decursinol angelate) and byakangelicol were identified as marker molecules for Angelica gigas and A. dahurica, respectively. Using the OPLS method for discriminant analysis, Angelica tenuissima and Cnidium officinale were clearly separated into two groups. Angelica tenuissima was characterised by the presence of ligustilide and unidentified molecular ions of m/z 239 and 283, while senkyunolide A together with signals with m/z 387 and 389 were the marker compounds for Cnidium officinale. Conclusion Elaborating with chemoinformatics, DART-TOF-MS fingerprinting with chemoinformatic tools results in a powerful method for the classification of morphologically similar Umbelliferae medicinal herbs and quality control of medicinal herbal products, including the extracts of these crude drugs. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Coupling of planar chromatography with Direct Analysis in Real Time mass spectrometry.\n \n \n \n \n\n\n \n Morlock, G.; and Chernetsova, E.\n\n\n \n\n\n\n Central European Journal of Chemistry, 10(3): 703–710. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"CouplingPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{morlock_coupling_2012,\n\ttitle = {Coupling of planar chromatography with {Direct} {Analysis} in {Real} {Time} mass spectrometry},\n\tvolume = {10},\n\tissn = {1895-1066},\n\turl = {http://dx.doi.org/10.2478/s11532-012-0025-2},\n\tabstract = {Direct Analysis in Real Time mass spectrometry (DART-MS) is an emerging and rapidly developing area of ambient desorption ionization mass spectrometric techniques. Its coupling with planar chromatography is especially promising, as compared to other ambient desorption ionization techniques, because it does not require the use of liquids that may distort the shape of a spot by diffusion effects. In the first publications on TLC/HPTLC-DART-MS, due to the fixed, horizontally aligned supply of the gas flow from the DART ionization source to the MS inlet, the introduction of HPTLC/TLC plates as cut strips was inconvenient for quantitation, and the repeatability was very low due to the manual positioning. Recently a new version of the DART ion source was suggested, which allows adjusting the angle of the DART gas stream and the use of a motorized rail, thereby, improving highly the capabilities of TLC/HPTLC-DART-MS. This comprehensive review describes the development and analytical capabilities of TLC/HPTLC-DART-MS, and the general DART-MS perspectives for surface analysis or imaging MS.},\n\tnumber = {3},\n\tjournal = {Central European Journal of Chemistry},\n\tauthor = {Morlock, Gertrud and Chernetsova, Elena},\n\tyear = {2012},\n\tpages = {703--710},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time mass spectrometry (DART-MS) is an emerging and rapidly developing area of ambient desorption ionization mass spectrometric techniques. Its coupling with planar chromatography is especially promising, as compared to other ambient desorption ionization techniques, because it does not require the use of liquids that may distort the shape of a spot by diffusion effects. In the first publications on TLC/HPTLC-DART-MS, due to the fixed, horizontally aligned supply of the gas flow from the DART ionization source to the MS inlet, the introduction of HPTLC/TLC plates as cut strips was inconvenient for quantitation, and the repeatability was very low due to the manual positioning. Recently a new version of the DART ion source was suggested, which allows adjusting the angle of the DART gas stream and the use of a motorized rail, thereby, improving highly the capabilities of TLC/HPTLC-DART-MS. This comprehensive review describes the development and analytical capabilities of TLC/HPTLC-DART-MS, and the general DART-MS perspectives for surface analysis or imaging MS.\n
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\n \n\n \n \n \n \n \n \n Assessing the capabilities of direct analysis in real time mass spectrometry for 5-hydroxymethylfurfural quantitation in honey.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 314(0): 22–32. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AssessingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{chernetsova_assessing_2012,\n\ttitle = {Assessing the capabilities of direct analysis in real time mass spectrometry for 5-hydroxymethylfurfural quantitation in honey},\n\tvolume = {314},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380612000280},\n\tdoi = {10.1016/j.ijms.2012.01.012},\n\tabstract = {The limitations of direct analysis in real time mass spectrometry (DART-MS) were shown with the example of 5-hydroxymethylfurfural (HMF) quantitation in honey. An accurate analyte quantitation was impossible because the carbohydrate matrix partially degraded to the analyte in the ionization region. However, at a decreased DART temperature of 150\\&\\#xa0;°C, the DART-MS screening was possible using two spiked reference samples. The influence of instrumental parameters on the composition of the DART mass spectra for HMF and carbohydrates was investigated. Also, first data on scanning surface analysis with DART-MS were obtained giving rise for further studies in this direction.},\n\tnumber = {0},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tyear = {2012},\n\tkeywords = {5-Hydroxymethylfurfural, Carbohydrates, Direct analysis in real time mass spectrometry, Direct analysis in real time mass spectrometry; Honey; 5-Hydroxymethylfurfural; HMF; Carbohydrates; Screening assays, HMF, Honey, Screening},\n\tpages = {22--32},\n}\n\n\n\n
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\n The limitations of direct analysis in real time mass spectrometry (DART-MS) were shown with the example of 5-hydroxymethylfurfural (HMF) quantitation in honey. An accurate analyte quantitation was impossible because the carbohydrate matrix partially degraded to the analyte in the ionization region. However, at a decreased DART temperature of 150 °C, the DART-MS screening was possible using two spiked reference samples. The influence of instrumental parameters on the composition of the DART mass spectra for HMF and carbohydrates was investigated. Also, first data on scanning surface analysis with DART-MS were obtained giving rise for further studies in this direction.\n
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\n \n\n \n \n \n \n \n \n Novel approaches to analysis of 3-chloropropane-1,2-diol esters in vegetable oils.\n \n \n \n \n\n\n \n Moravcova, E.; Vaclavik, L.; Lacina, O.; Hrbek, V.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 402(9): 2871–2883. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"NovelPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{moravcova_novel_2012,\n\ttitle = {Novel approaches to analysis of 3-chloropropane-1,2-diol esters in vegetable oils},\n\tvolume = {402},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5732-1},\n\tdoi = {10.1007/s00216-012-5732-1},\n\tabstract = {A sensitive and accurate method utilizing ultra-high performance liquid chromatography (U-HPLC) coupled to high resolution mass spectrometry based on orbitrap technology (orbitrapMS) for the analysis of nine 3-chloropropane-1,2-diol (3-MCPD) diesters in vegetable oils was developed. To remove the interfering triacylglycerols that induce strong matrix effects, a clean-up step on silica gel column was used. The quantitative analysis was performed with the use of deuterium-labeled internal standards. The lowest calibration levels estimated for the respective analytes ranged from 2 to 5 μg kg −1 . Good recovery values (89–120\\%) and repeatability (RSD 5–9\\%) was obtained at spiking levels of 2 and 10 mg kg −1 . As an alternative, a novel ambient desorption ionization technique, direct analysis in real time (DART), hyphenated with orbitrapMS, was employed for no separation, high-throughput, semi-quantitative screening of 3-MCPD diesters in samples obtained by chromatographic fractionation. Additionally, the levels of 3-MCPD diesters measured in real-life vegetable oil samples (palm oil, sunflower oil, rapeseed oil) using both methods are reported. Relatively good agreement of the data generated by U-HPLC-orbitrapMS and DART-orbitrapMS were observed. With regard to a low ionization yield achieved for 3-MCPD monoesters, the methods presented in this paper were not yet applicable for the analysis of these contaminants at the naturally occurring levels.},\n\tnumber = {9},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Moravcova, Eliska and Vaclavik, Lukas and Lacina, Ondrej and Hrbek, Vojtech and Riddellova, Katerina and Hajslova, Jana},\n\tyear = {2012},\n\tkeywords = {3-MCPD esters; Vegetable oils; U-HPLC-MS; DART-MS; orbitrap, Chemistry and Materials Science},\n\tpages = {2871--2883},\n}\n\n\n\n
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\n A sensitive and accurate method utilizing ultra-high performance liquid chromatography (U-HPLC) coupled to high resolution mass spectrometry based on orbitrap technology (orbitrapMS) for the analysis of nine 3-chloropropane-1,2-diol (3-MCPD) diesters in vegetable oils was developed. To remove the interfering triacylglycerols that induce strong matrix effects, a clean-up step on silica gel column was used. The quantitative analysis was performed with the use of deuterium-labeled internal standards. The lowest calibration levels estimated for the respective analytes ranged from 2 to 5 μg kg −1 . Good recovery values (89–120%) and repeatability (RSD 5–9%) was obtained at spiking levels of 2 and 10 mg kg −1 . As an alternative, a novel ambient desorption ionization technique, direct analysis in real time (DART), hyphenated with orbitrapMS, was employed for no separation, high-throughput, semi-quantitative screening of 3-MCPD diesters in samples obtained by chromatographic fractionation. Additionally, the levels of 3-MCPD diesters measured in real-life vegetable oil samples (palm oil, sunflower oil, rapeseed oil) using both methods are reported. Relatively good agreement of the data generated by U-HPLC-orbitrapMS and DART-orbitrapMS were observed. With regard to a low ionization yield achieved for 3-MCPD monoesters, the methods presented in this paper were not yet applicable for the analysis of these contaminants at the naturally occurring levels.\n
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\n \n\n \n \n \n \n \n \n Optimization of direct analysis in real time (DART) linear ion trap parameters for the detection and quantitation of glucose.\n \n \n \n \n\n\n \n Saang'onyo, D. S.; and Smith, D. L.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(3): 385–391. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{saangonyo_optimization_2012,\n\ttitle = {Optimization of direct analysis in real time ({DART}) linear ion trap parameters for the detection and quantitation of glucose},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5316},\n\tdoi = {10.1002/rcm.5316},\n\tabstract = {Presented here are findings for the development and optimization of a simple, high-throughput, and rapid method for the analysis of glucose. Because the applications of glucose and other six-carbon sugars is a growing field of interest especially in the production of biofuels, an efficient and rapid method for their quantitation from lignocelluloses is necessary. Glucose was analyzed using direct analysis in real time (DART) ionization and formed adducts (along with fragmentation) were observed with a linear ion trap (LIT) mass spectrometer. Since DART can be considered a complex thermal desorption ionization process, an optimization study of the helium gas temperature and introduction into the ionization region was performed. It was observed these parameters have a significant effect on the overall signal intensity as well as the signal-to-noise ratios in DART mass spectra. Using these optimized parameters, a set of different glucose concentrations (ranging from 10 to 3000 μM) were analyzed and used to determine a linear dynamic range (with the use of an internal standard). The analysis of the samples was done with minimal sample preparation and found to be reproducible on different days. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Saang'onyo, Daudi S. and Smith, Darrin L.},\n\tyear = {2012},\n\tkeywords = {Ion trap},\n\tpages = {385--391},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Presented here are findings for the development and optimization of a simple, high-throughput, and rapid method for the analysis of glucose. Because the applications of glucose and other six-carbon sugars is a growing field of interest especially in the production of biofuels, an efficient and rapid method for their quantitation from lignocelluloses is necessary. Glucose was analyzed using direct analysis in real time (DART) ionization and formed adducts (along with fragmentation) were observed with a linear ion trap (LIT) mass spectrometer. Since DART can be considered a complex thermal desorption ionization process, an optimization study of the helium gas temperature and introduction into the ionization region was performed. It was observed these parameters have a significant effect on the overall signal intensity as well as the signal-to-noise ratios in DART mass spectra. Using these optimized parameters, a set of different glucose concentrations (ranging from 10 to 3000 μM) were analyzed and used to determine a linear dynamic range (with the use of an internal standard). The analysis of the samples was done with minimal sample preparation and found to be reproducible on different days. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n DART-Orbitrap MS: a novel mass spectrometric approach for the identification of phenolic compounds in propolis.\n \n \n \n \n\n\n \n Chernetsova, E.; Bromirski, M.; Scheibner, O.; and Morlock, G.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–9. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DART-OrbitrapPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{chernetsova_dart-orbitrap_2012,\n\ttitle = {{DART}-{Orbitrap} {MS}: a novel mass spectrometric approach for the identification of phenolic compounds in propolis},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5800-6},\n\tabstract = {This is the first direct analysis in real-time mass spectrometry (DART-MS) study of propolis and a first study on the analysis of bee products using high-resolution DART-MS (DART-HRMS). Identification of flavonoids and other phenolic compounds in propolis using direct analysis in real-time coupling with Orbitrap mass spectrometry (DART-Orbitrap MS) was performed in the negative ion mode for minimizing the matrix effects, while the positive ion mode was used for the confirmation of selected compounds. Possible elemental formulae were suggested for marker components. The duration of one sample analysis by DART-MS analysis lasted ca . 30 s, and all benefits of high-resolution mass spectrometry were used upon data processing using the coupling of DART with the Orbitrap mass spectrometer. The possibility for scanning analysis of dried propolis extract spots on a planar porous surface was investigated in the heated gas flow of the DART ion source with adjustable angle. As an independent method, the approach of scanning analysis is of high interest and of future potential for confirmation of the results obtained from liquid sample analysis. Scanning analysis is highly promising for further development in the bioanalytical field due to the convenience of the storage and transportation of dried sample spots.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Chernetsova, Elena and Bromirski, Maciej and Scheibner, Olaf and Morlock, Gertrud},\n\tyear = {2012},\n\tpages = {1--9},\n}\n\n\n\n
\n
\n\n\n
\n This is the first direct analysis in real-time mass spectrometry (DART-MS) study of propolis and a first study on the analysis of bee products using high-resolution DART-MS (DART-HRMS). Identification of flavonoids and other phenolic compounds in propolis using direct analysis in real-time coupling with Orbitrap mass spectrometry (DART-Orbitrap MS) was performed in the negative ion mode for minimizing the matrix effects, while the positive ion mode was used for the confirmation of selected compounds. Possible elemental formulae were suggested for marker components. The duration of one sample analysis by DART-MS analysis lasted ca . 30 s, and all benefits of high-resolution mass spectrometry were used upon data processing using the coupling of DART with the Orbitrap mass spectrometer. The possibility for scanning analysis of dried propolis extract spots on a planar porous surface was investigated in the heated gas flow of the DART ion source with adjustable angle. As an independent method, the approach of scanning analysis is of high interest and of future potential for confirmation of the results obtained from liquid sample analysis. Scanning analysis is highly promising for further development in the bioanalytical field due to the convenience of the storage and transportation of dried sample spots.\n
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\n \n\n \n \n \n \n \n \n Rapid control of Chinese star anise fruits and teas for neurotoxic anisatin by Direct Analysis in Real Time (DART) high resolution mass spectrometry.\n \n \n \n \n\n\n \n Shen, Y.; van Beek, T. A.; Claassen, F. W.; Zuilhof, H.; Chen, B.; and Nielen, M. W.\n\n\n \n\n\n\n Journal of Chromatography A, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{shen_rapid_2012,\n\ttitle = {Rapid control of {Chinese} star anise fruits and teas for neurotoxic anisatin by {Direct} {Analysis} in {Real} {Time} ({DART}) high resolution mass spectrometry},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967312004712},\n\tdoi = {10.1016/j.chroma.2012.03.058},\n\tabstract = {After ingestion, products containing Chinese star anise (Illicium verum) contaminated or adulterated with Japanese star anise (Illicium anisatum) or other Illicium species, can cause epilepsy, hallucinations, and nausea due to the rare neurotoxic sesquiterpene dilactone anisatin that is present in Japanese star anise. Thus a rapid, simple and unambiguous method for distinguishing between the morphologically similar Chinese star anise and toxic Japanese star anise is important for food safety issues. Direct Analysis in Real Time (DART) ambient ionisation coupled with orbitrap high resolution mass spectrometry allowed the recording of mass spectra of anisatin in solid star anise fruits in seconds without any prior sample pretreatment. Spectra could be obtained in both positive ([M+NH4]+ at m/z 346.1496, C15H24NO8) and negative mode ([M−H]− at m/z 327.1074, C15H19O8) and gave the same outcome provided a mass resolution of at least 27,000 is available. The anisatin signal was typically \\&gt;1000 times larger in Japanese star anise than in Chinese star anise thus allowing an unequivocal qualitative determination. Herbal teas containing star anise fragments too small to be visually recognised, could be analysed by preparing a tea in 6\\&\\#xa0;min and subsequently sampling ∼2\\&\\#xa0;μL of tea on a glass rod. None of the 8 investigated retail teas contained significant quantities of anisatin. Spiking a complex herbal tea containing Chinese star anise with an equally concentrated tea prepared from Japanese star anise provided a linear calibration curve (R2\\&\\#xa0;≥\\&\\#xa0;0.995) after normalising on a native constituent of Chinese star anise (standard addition method). This showed that adulteration down to 1\\% (w/w) is still measurable. Compared with existing PCR, TLC, GC–MS and HPLC–ESI-MS/MS procedures, the proposed DART–HRMS procedure is faster and simpler and moreover measures the actual biotoxin.},\n\tnumber = {0},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Shen, Yao and van Beek, Teris A. and Claassen, Frank W. and Zuilhof, Han and Chen, Bo and Nielen, Michel W.F.},\n\tyear = {2012},\n\tkeywords = {Anisatin, Biotoxin, DART, Food analysis, Star anise, mass spectrometry},\n}\n\n\n\n
\n
\n\n\n
\n After ingestion, products containing Chinese star anise (Illicium verum) contaminated or adulterated with Japanese star anise (Illicium anisatum) or other Illicium species, can cause epilepsy, hallucinations, and nausea due to the rare neurotoxic sesquiterpene dilactone anisatin that is present in Japanese star anise. Thus a rapid, simple and unambiguous method for distinguishing between the morphologically similar Chinese star anise and toxic Japanese star anise is important for food safety issues. Direct Analysis in Real Time (DART) ambient ionisation coupled with orbitrap high resolution mass spectrometry allowed the recording of mass spectra of anisatin in solid star anise fruits in seconds without any prior sample pretreatment. Spectra could be obtained in both positive ([M+NH4]+ at m/z 346.1496, C15H24NO8) and negative mode ([M−H]− at m/z 327.1074, C15H19O8) and gave the same outcome provided a mass resolution of at least 27,000 is available. The anisatin signal was typically >1000 times larger in Japanese star anise than in Chinese star anise thus allowing an unequivocal qualitative determination. Herbal teas containing star anise fragments too small to be visually recognised, could be analysed by preparing a tea in 6 min and subsequently sampling ∼2 μL of tea on a glass rod. None of the 8 investigated retail teas contained significant quantities of anisatin. Spiking a complex herbal tea containing Chinese star anise with an equally concentrated tea prepared from Japanese star anise provided a linear calibration curve (R2 ≥ 0.995) after normalising on a native constituent of Chinese star anise (standard addition method). This showed that adulteration down to 1% (w/w) is still measurable. Compared with existing PCR, TLC, GC–MS and HPLC–ESI-MS/MS procedures, the proposed DART–HRMS procedure is faster and simpler and moreover measures the actual biotoxin.\n
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\n \n\n \n \n \n \n \n \n Evaluating a direct swabbing method for screening pesticides on fruit and vegetable surfaces using direct analysis in real time (DART) coupled to an Exactive benchtop orbitrap mass spectrometer.\n \n \n \n \n\n\n \n Crawford, E.; and Musselman, B.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{crawford_evaluating_2012,\n\ttitle = {Evaluating a direct swabbing method for screening pesticides on fruit and vegetable surfaces using direct analysis in real time ({DART}) coupled to an {Exactive} benchtop orbitrap mass spectrometer},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5853-6},\n\tdoi = {10.1007/s00216-012-5853-6},\n\tabstract = {Rapid screening of pesticides present on the surfaces of fruits and vegetables has been facilitated by using a Direct Analysis in Real Time (DART®) open air surface desorption ionization source coupled to an Exactive® high-resolution accurate mass benchtop orbitrap mass spectrometer. The use of cotton and polyester cleaning swabs to collect and retain pesticides for subsequent open air desorption ionization is demonstrated by sampling the surface of various produce to which solutions of pesticides have been applied at levels 10 and 100 times below the tolerance levels established by the United States Environmental Protection Agency (US EPA). Samples analyzed include cherry tomatoes, oranges, peaches and carrots each chosen for their surface characteristics which include: smooth, pitted, fuzzy, and rough respectively. Results from the direct analysis of fungicides on store-bought oranges are also described. In all cases, the swabs were introduced directly into the heated ionizing gas of the DART source resulting in production of protonated pesticide molecules within seconds of sampling. Operation of the orbitrap mass spectrometer at 25,000 full-width half maximum resolution was sufficient to generate high-quality accurate mass data. Stable external mass calibration eliminated the need for addition of standards typically required for mass calibration, thus allowing multiple analyses to be completed without instrument recalibration.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Crawford, Elizabeth and Musselman, Brian},\n\tyear = {2012},\n\tkeywords = {Chemistry and Materials Science},\n\tpages = {1--6},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Rapid screening of pesticides present on the surfaces of fruits and vegetables has been facilitated by using a Direct Analysis in Real Time (DART®) open air surface desorption ionization source coupled to an Exactive® high-resolution accurate mass benchtop orbitrap mass spectrometer. The use of cotton and polyester cleaning swabs to collect and retain pesticides for subsequent open air desorption ionization is demonstrated by sampling the surface of various produce to which solutions of pesticides have been applied at levels 10 and 100 times below the tolerance levels established by the United States Environmental Protection Agency (US EPA). Samples analyzed include cherry tomatoes, oranges, peaches and carrots each chosen for their surface characteristics which include: smooth, pitted, fuzzy, and rough respectively. Results from the direct analysis of fungicides on store-bought oranges are also described. In all cases, the swabs were introduced directly into the heated ionizing gas of the DART source resulting in production of protonated pesticide molecules within seconds of sampling. Operation of the orbitrap mass spectrometer at 25,000 full-width half maximum resolution was sufficient to generate high-quality accurate mass data. Stable external mass calibration eliminated the need for addition of standards typically required for mass calibration, thus allowing multiple analyses to be completed without instrument recalibration.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry: rapid analysis of soft medicinal formulations.\n \n \n \n \n\n\n \n Abramovich, R.; and Revel’skii, I.\n\n\n \n\n\n\n Pharmaceutical Chemistry Journal, 45(11): 698–700. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{abramovich_dart_2012,\n\ttitle = {{DART} mass spectrometry: rapid analysis of soft medicinal formulations},\n\tvolume = {45},\n\tissn = {0091-150X},\n\turl = {http://dx.doi.org/10.1007/s11094-012-0705-4},\n\tabstract = {The possibility of using the DART mass spectrometry method for rapid analysis of soft medicinal formulations is considered. Studies of “tetracycline”, “Sintomycin Liniment”, and “Levomecol” creams and suppositories based on hard fat were studied. The possibility of using this method for the rapid screening of medicinal formulations in search of counterfeits is discussed. This is the first report of the analysis of suppositories using DART mass spectrometry.},\n\tnumber = {11},\n\tjournal = {Pharmaceutical Chemistry Journal},\n\tauthor = {Abramovich, R. and Revel’skii, I.},\n\tyear = {2012},\n\tpages = {698--700},\n}\n\n\n\n
\n
\n\n\n
\n The possibility of using the DART mass spectrometry method for rapid analysis of soft medicinal formulations is considered. Studies of “tetracycline”, “Sintomycin Liniment”, and “Levomecol” creams and suppositories based on hard fat were studied. The possibility of using this method for the rapid screening of medicinal formulations in search of counterfeits is discussed. This is the first report of the analysis of suppositories using DART mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of synthetic cannabinoids in herbal samples via direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Musah, R. A.; Domin, M. A.; Walling, M. A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1109–1114. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{musah_rapid_2012,\n\ttitle = {Rapid identification of synthetic cannabinoids in herbal samples via direct analysis in real time mass spectrometry},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6205},\n\tdoi = {10.1002/rcm.6205},\n\tabstract = {RATIONALE\nDozens of synthetic cannabinoid analogs purposefully meant to circumvent legal restrictions associated with controlled substances continue to be manufactured and promoted as producing 'legal highs'. These designer drugs are difficult to identify in conventional drug screens not only because routine protocols have not been developed for their detection, but also because their association with complex plant matrices during manufacture generally requires labor-intensive extraction and sample preparation for analysis. To address this new and important challenge in forensic chemistry, Direct Analysis in Real Time Mass Spectrometry (DART-MS) is applied to the analysis of these designer drugs. \nMETHODS\nDART-MS was employed to sample synthetic cannabinoids directly on botanical matrices. The ambient ionization method associated with DART-MS permitted the analysis of solid herbal samples directly, without the need for extraction or sample preparation. The high mass resolution time-of-flight analyzer allowed identification of these substances despite their presence within a complex matrix and enabled differentiation of closely related analogs. \nRESULTS\nDART-MS was performed to rapidly identify the synthetic cannabinoids AM-251 and JWH-015. For each cannabinoid, three hundred micrograms (300 µg) of material was easily detected within an excess of background matrix by mass. \nCONCLUSIONS\nNew variations of herbal blends containing a wide range of base components and laced with synthetic cannabinoids are being produced, making their presence difficult to track by conventional methods. DART-MS permits rapid identification of trace synthetic cannabinoids within complex biological matrices, with excellent sensitivity and specificity compared with standard methods. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Domin, Marek A. and Walling, Maureen A. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1109--1114},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Dozens of synthetic cannabinoid analogs purposefully meant to circumvent legal restrictions associated with controlled substances continue to be manufactured and promoted as producing 'legal highs'. These designer drugs are difficult to identify in conventional drug screens not only because routine protocols have not been developed for their detection, but also because their association with complex plant matrices during manufacture generally requires labor-intensive extraction and sample preparation for analysis. To address this new and important challenge in forensic chemistry, Direct Analysis in Real Time Mass Spectrometry (DART-MS) is applied to the analysis of these designer drugs. METHODS DART-MS was employed to sample synthetic cannabinoids directly on botanical matrices. The ambient ionization method associated with DART-MS permitted the analysis of solid herbal samples directly, without the need for extraction or sample preparation. The high mass resolution time-of-flight analyzer allowed identification of these substances despite their presence within a complex matrix and enabled differentiation of closely related analogs. RESULTS DART-MS was performed to rapidly identify the synthetic cannabinoids AM-251 and JWH-015. For each cannabinoid, three hundred micrograms (300 µg) of material was easily detected within an excess of background matrix by mass. CONCLUSIONS New variations of herbal blends containing a wide range of base components and laced with synthetic cannabinoids are being produced, making their presence difficult to track by conventional methods. DART-MS permits rapid identification of trace synthetic cannabinoids within complex biological matrices, with excellent sensitivity and specificity compared with standard methods. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Ambient Ionization–Accurate Mass Spectrometry (AMI-AMS) for the Identification of Nonvisible Set-off in Food-Contact Materials.\n \n \n \n \n\n\n \n Bentayeb, K.; Ackerman, L. K.; and Begley, T. H.\n\n\n \n\n\n\n J. Agric. Food Chem., 60(8): 1914–1920. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bentayeb_ambient_2012,\n\ttitle = {Ambient {Ionization}–{Accurate} {Mass} {Spectrometry} ({AMI}-{AMS}) for the {Identification} of {Nonvisible} {Set}-off in {Food}-{Contact} {Materials}},\n\tvolume = {60},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf204456z},\n\tdoi = {10.1021/jf204456z},\n\tabstract = {Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.\nSet-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.},\n\tnumber = {8},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Bentayeb, Karim and Ackerman, Luke K. and Begley, Timothy H.},\n\tyear = {2012},\n\tpages = {1914--1920},\n}\n\n\n\n
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\n\n\n
\n Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging. Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.\n
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\n \n\n \n \n \n \n \n \n Coupling of planar chromatography with Direct Analysis in Real Time mass spectrometry.\n \n \n \n \n\n\n \n Morlock, G.; and Chernetsova, E.\n\n\n \n\n\n\n Central European Journal of Chemistry, 10(3): 703–710. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"CouplingPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{morlock_coupling_2012,\n\ttitle = {Coupling of planar chromatography with {Direct} {Analysis} in {Real} {Time} mass spectrometry},\n\tvolume = {10},\n\tissn = {1895-1066},\n\turl = {http://dx.doi.org/10.2478/s11532-012-0025-2},\n\tabstract = {Direct Analysis in Real Time mass spectrometry (DART-MS) is an emerging and rapidly developing area of ambient desorption ionization mass spectrometric techniques. Its coupling with planar chromatography is especially promising, as compared to other ambient desorption ionization techniques, because it does not require the use of liquids that may distort the shape of a spot by diffusion effects. In the first publications on TLC/HPTLC-DART-MS, due to the fixed, horizontally aligned supply of the gas flow from the DART ionization source to the MS inlet, the introduction of HPTLC/TLC plates as cut strips was inconvenient for quantitation, and the repeatability was very low due to the manual positioning. Recently a new version of the DART ion source was suggested, which allows adjusting the angle of the DART gas stream and the use of a motorized rail, thereby, improving highly the capabilities of TLC/HPTLC-DART-MS. This comprehensive review describes the development and analytical capabilities of TLC/HPTLC-DART-MS, and the general DART-MS perspectives for surface analysis or imaging MS.},\n\tnumber = {3},\n\tjournal = {Central European Journal of Chemistry},\n\tauthor = {Morlock, Gertrud and Chernetsova, Elena},\n\tyear = {2012},\n\tpages = {703--710},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time mass spectrometry (DART-MS) is an emerging and rapidly developing area of ambient desorption ionization mass spectrometric techniques. Its coupling with planar chromatography is especially promising, as compared to other ambient desorption ionization techniques, because it does not require the use of liquids that may distort the shape of a spot by diffusion effects. In the first publications on TLC/HPTLC-DART-MS, due to the fixed, horizontally aligned supply of the gas flow from the DART ionization source to the MS inlet, the introduction of HPTLC/TLC plates as cut strips was inconvenient for quantitation, and the repeatability was very low due to the manual positioning. Recently a new version of the DART ion source was suggested, which allows adjusting the angle of the DART gas stream and the use of a motorized rail, thereby, improving highly the capabilities of TLC/HPTLC-DART-MS. This comprehensive review describes the development and analytical capabilities of TLC/HPTLC-DART-MS, and the general DART-MS perspectives for surface analysis or imaging MS.\n
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\n \n\n \n \n \n \n \n \n Novel approaches to analysis of 3-chloropropane-1,2-diol esters in vegetable oils.\n \n \n \n \n\n\n \n Moravcova, E.; Vaclavik, L.; Lacina, O.; Hrbek, V.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 402(9): 2871–2883. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"NovelPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{moravcova_novel_2012,\n\ttitle = {Novel approaches to analysis of 3-chloropropane-1,2-diol esters in vegetable oils},\n\tvolume = {402},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5732-1},\n\tdoi = {10.1007/s00216-012-5732-1},\n\tabstract = {A sensitive and accurate method utilizing ultra-high performance liquid chromatography (U-HPLC) coupled to high resolution mass spectrometry based on orbitrap technology (orbitrapMS) for the analysis of nine 3-chloropropane-1,2-diol (3-MCPD) diesters in vegetable oils was developed. To remove the interfering triacylglycerols that induce strong matrix effects, a clean-up step on silica gel column was used. The quantitative analysis was performed with the use of deuterium-labeled internal standards. The lowest calibration levels estimated for the respective analytes ranged from 2 to 5 μg kg −1 . Good recovery values (89–120\\%) and repeatability (RSD 5–9\\%) was obtained at spiking levels of 2 and 10 mg kg −1 . As an alternative, a novel ambient desorption ionization technique, direct analysis in real time (DART), hyphenated with orbitrapMS, was employed for no separation, high-throughput, semi-quantitative screening of 3-MCPD diesters in samples obtained by chromatographic fractionation. Additionally, the levels of 3-MCPD diesters measured in real-life vegetable oil samples (palm oil, sunflower oil, rapeseed oil) using both methods are reported. Relatively good agreement of the data generated by U-HPLC-orbitrapMS and DART-orbitrapMS were observed. With regard to a low ionization yield achieved for 3-MCPD monoesters, the methods presented in this paper were not yet applicable for the analysis of these contaminants at the naturally occurring levels.},\n\tnumber = {9},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Moravcova, Eliska and Vaclavik, Lukas and Lacina, Ondrej and Hrbek, Vojtech and Riddellova, Katerina and Hajslova, Jana},\n\tyear = {2012},\n\tkeywords = {3-MCPD esters; Vegetable oils; U-HPLC-MS; DART-MS; orbitrap, Chemistry and Materials Science},\n\tpages = {2871--2883},\n}\n\n\n\n
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\n A sensitive and accurate method utilizing ultra-high performance liquid chromatography (U-HPLC) coupled to high resolution mass spectrometry based on orbitrap technology (orbitrapMS) for the analysis of nine 3-chloropropane-1,2-diol (3-MCPD) diesters in vegetable oils was developed. To remove the interfering triacylglycerols that induce strong matrix effects, a clean-up step on silica gel column was used. The quantitative analysis was performed with the use of deuterium-labeled internal standards. The lowest calibration levels estimated for the respective analytes ranged from 2 to 5 μg kg −1 . Good recovery values (89–120%) and repeatability (RSD 5–9%) was obtained at spiking levels of 2 and 10 mg kg −1 . As an alternative, a novel ambient desorption ionization technique, direct analysis in real time (DART), hyphenated with orbitrapMS, was employed for no separation, high-throughput, semi-quantitative screening of 3-MCPD diesters in samples obtained by chromatographic fractionation. Additionally, the levels of 3-MCPD diesters measured in real-life vegetable oil samples (palm oil, sunflower oil, rapeseed oil) using both methods are reported. Relatively good agreement of the data generated by U-HPLC-orbitrapMS and DART-orbitrapMS were observed. With regard to a low ionization yield achieved for 3-MCPD monoesters, the methods presented in this paper were not yet applicable for the analysis of these contaminants at the naturally occurring levels.\n
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\n \n\n \n \n \n \n \n Ambient mass spectrometry for extractionless analyses of plants: Holy Grail, useful tool or hoax?.\n \n \n \n\n\n \n van Beek, T.; Shen, Y; Verweij, T; Villela, A; and Claassen, F\n\n\n \n\n\n\n Planta Med, 78(11): CL44. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{van_beek_ambient_2012,\n\ttitle = {Ambient mass spectrometry for extractionless analyses of plants: {Holy} {Grail}, useful tool or hoax?},\n\tvolume = {78},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0032-1320279},\n\tabstract = {Ambient mass spectrometry allows sampling on your benchtop at atmospheric pressure and often without any sample preparation. A short overview of ambient MS is given including ionisation mechanisms and new exciting developments such as leaf spray. Direct Analysis in Real Time (DART) and Desorption Electrospray Ionisation (DESI) applications from the author's group in the field of natural products chemistry are presented. In particular DART-MS is a versatile, easy to handle and fast technique allowing even quantitative measurements of secondary plant metabolites such as alkaloids, terpenes (Ginkgo, star anise) and flavonoids. Fig. A shows the DART-MS of toxic Japanese star anise with a clear peak for the neurotoxin anisatin at m/z 327.107. Chinese star anise lacks this peak (Fig. B). This result was obtained in seconds without any sample preparation. In combination with high-resolution MS it can be used for quality control, adulteration detection, metabolomics and screening of herbal products. It can also be hyphenated to HPLC or TLC. A comparison of DART and DESI-MS in terms of scope, figures of merit and limitations is made.},\n\tnumber = {11},\n\tjournal = {Planta Med},\n\tauthor = {van Beek, TA and Shen, Y and Verweij, T and Villela, A and Claassen, F},\n\tyear = {2012},\n\tpages = {CL44},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Ambient mass spectrometry allows sampling on your benchtop at atmospheric pressure and often without any sample preparation. A short overview of ambient MS is given including ionisation mechanisms and new exciting developments such as leaf spray. Direct Analysis in Real Time (DART) and Desorption Electrospray Ionisation (DESI) applications from the author's group in the field of natural products chemistry are presented. In particular DART-MS is a versatile, easy to handle and fast technique allowing even quantitative measurements of secondary plant metabolites such as alkaloids, terpenes (Ginkgo, star anise) and flavonoids. Fig. A shows the DART-MS of toxic Japanese star anise with a clear peak for the neurotoxin anisatin at m/z 327.107. Chinese star anise lacks this peak (Fig. B). This result was obtained in seconds without any sample preparation. In combination with high-resolution MS it can be used for quality control, adulteration detection, metabolomics and screening of herbal products. It can also be hyphenated to HPLC or TLC. A comparison of DART and DESI-MS in terms of scope, figures of merit and limitations is made.\n
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\n \n\n \n \n \n \n \n \n Headspace–multicapillary column–ion mobility spectrometry for the direct analysis of 2,4,6-trichloroanisole in wine and cork samples.\n \n \n \n \n\n\n \n Márquez-Sillero, I.; Cárdenas, S.; and Valcárcel, M.\n\n\n \n\n\n\n Journal of Chromatography A, 1265(0): 149–154. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"Headspace–multicapillaryPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{marquez-sillero_headspacemulticapillary_2012,\n\ttitle = {Headspace–multicapillary column–ion mobility spectrometry for the direct analysis of 2,4,6-trichloroanisole in wine and cork samples},\n\tvolume = {1265},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967312014999},\n\tdoi = {10.1016/j.chroma.2012.09.087},\n\tabstract = {Headspace–multicapillary column–ion mobility spectrometry coupling has been evaluated for the direct analysis of wine and cork stopper samples for the determination of 2,4,6-trichloroanisole (2,4,6-TCA). The instrumental configuration permits the sample to be introduced in headspace vials which are placed into the autosampler oven in order to facilitate the transference of the volatile compounds from the sample to its headspace. Further, an aliquot of 200 μL of the homogenized gaseous phase is injected into the multicapillary column in order to separate the target compounds from potential interferents. The detection of 2,4,6-TCA was carried out in an ion mobility spectrometer with a radioactive source and working under negative mode. All the system was computer controlled, including data acquisition and treatment. The limits of detection achieved were 0.012 ng L−1 for wine and 0.28 ng g−1 for the cork stopper. The procedure was applied to the analysis of commercial wine samples in different packages and 2,4,6-TCA was found in all of those closed with a cork stopper. The excellent recovery values obtained testify for the goodness of the method as no interference from the sample matrix exits.},\n\tnumber = {0},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Márquez-Sillero, Isabel and Cárdenas, Soledad and Valcárcel, Miguel},\n\tmonth = nov,\n\tyear = {2012},\n\tkeywords = {2,4,6-Trichloroanisole, Cork, Headspace, Ion mobility spectrometry, Multicapillary column, Wine},\n\tpages = {149--154},\n}\n\n\n\n
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\n Headspace–multicapillary column–ion mobility spectrometry coupling has been evaluated for the direct analysis of wine and cork stopper samples for the determination of 2,4,6-trichloroanisole (2,4,6-TCA). The instrumental configuration permits the sample to be introduced in headspace vials which are placed into the autosampler oven in order to facilitate the transference of the volatile compounds from the sample to its headspace. Further, an aliquot of 200 μL of the homogenized gaseous phase is injected into the multicapillary column in order to separate the target compounds from potential interferents. The detection of 2,4,6-TCA was carried out in an ion mobility spectrometer with a radioactive source and working under negative mode. All the system was computer controlled, including data acquisition and treatment. The limits of detection achieved were 0.012 ng L−1 for wine and 0.28 ng g−1 for the cork stopper. The procedure was applied to the analysis of commercial wine samples in different packages and 2,4,6-TCA was found in all of those closed with a cork stopper. The excellent recovery values obtained testify for the goodness of the method as no interference from the sample matrix exits.\n
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\n \n\n \n \n \n \n \n \n DART MS based chemical profiling for therapeutic potential of Piper betle landraces.\n \n \n \n \n\n\n \n Bajpai, V; Pandey, R; Negi, M.; Kumar, N; and Kumar, B\n\n\n \n\n\n\n Natural product communications, 7(12): 1627–1629. December 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{bajpai_dart_2012,\n\ttitle = {{DART} {MS} based chemical profiling for therapeutic potential of {Piper} betle landraces.},\n\tvolume = {7},\n\turl = {http://europepmc.org/abstract/MED/23413569},\n\tabstract = {Piper betle Linn. leaves are traditionally used as a folk medicine in India and other Asiatic countries. Twenty-one P. betle landraces were analyzed using a Direct Analysis in Real Time (DART) mass spectral technique and evaluated on the basis of molecules detected in the leaves. Clustering of landraces based on three well known biologically active phenols (m/z 151,165,193) showed two broad groups with high and low phenol contents suggesting differences in their therapeutic potential. Findings of this study could be useful in rapid screening of the landraces for determining their medicinal potential and optimum utilization of the bioresource.},\n\tnumber = {12},\n\tjournal = {Natural product communications},\n\tauthor = {Bajpai, V and Pandey, R and Negi, MP and Kumar, N and Kumar, B},\n\tmonth = dec,\n\tyear = {2012},\n\tkeywords = {Calibration, Computer Systems, Drug Evaluation, Preclinical, Oils, Volatile, Phenols, Piper betle, Plant Leaves, Software, mass spectrometry},\n\tpages = {1627--1629},\n}\n\n\n\n
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\n Piper betle Linn. leaves are traditionally used as a folk medicine in India and other Asiatic countries. Twenty-one P. betle landraces were analyzed using a Direct Analysis in Real Time (DART) mass spectral technique and evaluated on the basis of molecules detected in the leaves. Clustering of landraces based on three well known biologically active phenols (m/z 151,165,193) showed two broad groups with high and low phenol contents suggesting differences in their therapeutic potential. Findings of this study could be useful in rapid screening of the landraces for determining their medicinal potential and optimum utilization of the bioresource.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry: rapid analysis of soft medicinal formulations.\n \n \n \n \n\n\n \n Abramovich, R.; and Revel’skii, I.\n\n\n \n\n\n\n Pharmaceutical Chemistry Journal, 45(11): 698–700. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{abramovich_dart_2012,\n\ttitle = {{DART} mass spectrometry: rapid analysis of soft medicinal formulations},\n\tvolume = {45},\n\tissn = {0091-150X},\n\turl = {http://dx.doi.org/10.1007/s11094-012-0705-4},\n\tabstract = {The possibility of using the DART mass spectrometry method for rapid analysis of soft medicinal formulations is considered. Studies of “tetracycline”, “Sintomycin Liniment”, and “Levomecol” creams and suppositories based on hard fat were studied. The possibility of using this method for the rapid screening of medicinal formulations in search of counterfeits is discussed. This is the first report of the analysis of suppositories using DART mass spectrometry.},\n\tnumber = {11},\n\tjournal = {Pharmaceutical Chemistry Journal},\n\tauthor = {Abramovich, R. and Revel’skii, I.},\n\tyear = {2012},\n\tpages = {698--700},\n}\n\n\n\n
\n
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\n The possibility of using the DART mass spectrometry method for rapid analysis of soft medicinal formulations is considered. Studies of “tetracycline”, “Sintomycin Liniment”, and “Levomecol” creams and suppositories based on hard fat were studied. The possibility of using this method for the rapid screening of medicinal formulations in search of counterfeits is discussed. This is the first report of the analysis of suppositories using DART mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Graphite-Coated Paper as Substrate for High Sensitivity Analysis in Ambient Surface-Assisted Laser Desorption/Ionization Mass Spectrometry.\n \n \n \n \n\n\n \n Zhang, J.; Li, Z.; Zhang, C.; Feng, B.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Anal. Chem., 84(7): 3296–3301. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"Graphite-CoatedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhang_graphite-coated_2012,\n\ttitle = {Graphite-{Coated} {Paper} as {Substrate} for {High} {Sensitivity} {Analysis} in {Ambient} {Surface}-{Assisted} {Laser} {Desorption}/{Ionization} {Mass} {Spectrometry}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac300002g},\n\tdoi = {10.1021/ac300002g},\n\tabstract = {In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.\nIn this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.},\n\tnumber = {7},\n\tjournal = {Anal. Chem.},\n\tauthor = {Zhang, Jialing and Li, Ze and Zhang, Chengsen and Feng, Baosheng and Zhou, Zhigui and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tpages = {3296--3301},\n}\n\n\n\n
\n
\n\n\n
\n In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules. In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.\n
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\n \n\n \n \n \n \n \n \n Separation mechanism of chiral impurities, ephedrine and pseudoephedrine, found in amphetamine-type substances using achiral modifiers in the gas phase.\n \n \n \n \n\n\n \n Holness, H.; Jamal, A.; Mebel, A.; and Almirall, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 404(8): 2407–2416. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"SeparationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{holness_separation_2012,\n\ttitle = {Separation mechanism of chiral impurities, ephedrine and pseudoephedrine, found in amphetamine-type substances using achiral modifiers in the gas phase},\n\tvolume = {404},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-6365-0},\n\tdoi = {10.1007/s00216-012-6365-0},\n\tabstract = {A new mechanism is proposed that describes the gas-phase separation of chiral molecules found in amphetamine-type substances (ATS) by the use of high-resolution ion mobility spectrometry (IMS). Straight-chain achiral alcohols of increasing carbon chain length, from methanol to n -octanol, are used as drift gas modifiers in IMS to highlight the mechanism proposed for gas-phase separations of these chiral molecules. The results suggest the possibility of using these achiral modifiers to separate the chiral molecules ( R , S ) and ( S , R )-ephedrine and ( S , S ) and ( R , R )-pseudoephedrine which contain an internal hydroxyl group at the first chiral center and an amino group at the other chiral center. Ionization was achieved with an electrospray source, the ions were introduced into an IMS with a resolving power of 80, and the resulting ion clusters were characterized with a coupled quadrupole mass spectrometer detector. A complementary computational study conducted at the density functional B3LYP/6-31g level of theory for the electronic structure of the analyte–modifier clusters was also performed, and showed either “bridged” or “independent” binding. The combined experimental and simulation data support the proposed mechanism for gas-phase chiral separations using achiral modifiers in the gas phase, thus enhancing the potential to conduct fast chiral separations with relative ease and efficiency.},\n\tnumber = {8},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Holness, Howard and Jamal, Adeel and Mebel, Alexander and Almirall, José},\n\tmonth = nov,\n\tyear = {2012},\n\tkeywords = {Chemistry and Materials Science},\n\tpages = {2407--2416},\n}\n\n\n\n
\n
\n\n\n
\n A new mechanism is proposed that describes the gas-phase separation of chiral molecules found in amphetamine-type substances (ATS) by the use of high-resolution ion mobility spectrometry (IMS). Straight-chain achiral alcohols of increasing carbon chain length, from methanol to n -octanol, are used as drift gas modifiers in IMS to highlight the mechanism proposed for gas-phase separations of these chiral molecules. The results suggest the possibility of using these achiral modifiers to separate the chiral molecules ( R , S ) and ( S , R )-ephedrine and ( S , S ) and ( R , R )-pseudoephedrine which contain an internal hydroxyl group at the first chiral center and an amino group at the other chiral center. Ionization was achieved with an electrospray source, the ions were introduced into an IMS with a resolving power of 80, and the resulting ion clusters were characterized with a coupled quadrupole mass spectrometer detector. A complementary computational study conducted at the density functional B3LYP/6-31g level of theory for the electronic structure of the analyte–modifier clusters was also performed, and showed either “bridged” or “independent” binding. The combined experimental and simulation data support the proposed mechanism for gas-phase chiral separations using achiral modifiers in the gas phase, thus enhancing the potential to conduct fast chiral separations with relative ease and efficiency.\n
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\n \n\n \n \n \n \n \n \n Ion Mobility Spectrometry: A Comprehensive and Versatile Tool for Occupational Pharmaceutical Exposure Assessment.\n \n \n \n \n\n\n \n Armenta, S.; and Blanco, M.\n\n\n \n\n\n\n Analytical Chemistry, 84(10): 4560–4568. April 2012.\n \n\n\n\n
\n\n\n\n \n \n \"IonPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{armenta_ion_2012,\n\ttitle = {Ion {Mobility} {Spectrometry}: {A} {Comprehensive} and {Versatile} {Tool} for {Occupational} {Pharmaceutical} {Exposure} {Assessment}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac300655t},\n\tdoi = {10.1021/ac300655t},\n\tabstract = {The qualitative and quantitative capabilities of ion mobility spectrometry (IMS) as a comprehensive and powerful tool in workplace air monitoring have been demonstrated on the example of a Spanish pharmaceutical company. The developed IMS based procedure is capable of detecting and determining in air samples the active pharmaceutical ingredients (APIs) manipulated and/or produced in this pharmaceutical industry. Sensitivity, in the ng?pg range, selectivity, possibly to provide results in near real time, and reduction of analysis costs are the most important properties that ratify IMS as a serious alternative in occupational exposure assessment. The possibility of false positives by drift time interferences and false negatives by competitive ionization and also desorption process interferences has been deeply evaluated. Moreover, chemometric strategies based on self-modeling curve resolution (SMCR) have been applied to obtain qualitative and quantitative individual component information from overlapped peaks. The IMS procedure has been successfully applied to evaluate the concentration of APIs (nimesulide, dexketoprofen, deflazacort) handled by the pharmaceutical company employees in the making of tablets and granulates, and control measures have been suggested in accordance.},\n\tnumber = {10},\n\turldate = {2012-11-08},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Armenta, S. and Blanco, M.},\n\tmonth = apr,\n\tyear = {2012},\n\tpages = {4560--4568},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n The qualitative and quantitative capabilities of ion mobility spectrometry (IMS) as a comprehensive and powerful tool in workplace air monitoring have been demonstrated on the example of a Spanish pharmaceutical company. The developed IMS based procedure is capable of detecting and determining in air samples the active pharmaceutical ingredients (APIs) manipulated and/or produced in this pharmaceutical industry. Sensitivity, in the ng?pg range, selectivity, possibly to provide results in near real time, and reduction of analysis costs are the most important properties that ratify IMS as a serious alternative in occupational exposure assessment. The possibility of false positives by drift time interferences and false negatives by competitive ionization and also desorption process interferences has been deeply evaluated. Moreover, chemometric strategies based on self-modeling curve resolution (SMCR) have been applied to obtain qualitative and quantitative individual component information from overlapped peaks. The IMS procedure has been successfully applied to evaluate the concentration of APIs (nimesulide, dexketoprofen, deflazacort) handled by the pharmaceutical company employees in the making of tablets and granulates, and control measures have been suggested in accordance.\n
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\n \n\n \n \n \n \n \n \n ID-CUBE direct analysis in real time high-resolution mass spectrometry and its capabilities in the identification of phenolic components from the green leaves of Bergenia crassifolia L.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Crawford, E. A.; Shikov, A. N.; Pozharitskaya, O. N.; Makarov, V. G.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(11): 1329–1337. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ID-CUBEPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_id-cube_2012,\n\ttitle = {{ID}-{CUBE} direct analysis in real time high-resolution mass spectrometry and its capabilities in the identification of phenolic components from the green leaves of {Bergenia} crassifolia {L}.},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6226},\n\tdoi = {10.1002/rcm.6226},\n\tabstract = {RATIONALE\nBergenia crassifolia is a plant widely used in herbal medicine. Its chemical composition has been little studied, and no studies using high-resolution mass spectrometry (HRMS) have been performed. Its phenolic components are of particular interest, due to the interest in such compounds in medicine and cosmetics. The ID-CUBE, a simplified Direct Analysis in Real Time (DART) ion source, suitable for the fast MS analysis of liquids without complex sample preparation, offers a new method of studying extracts of such plant. Coupling the ID-CUBE with a high-resolution mass spectrometer can provide identification of extract components. \nMETHODS\nMass spectral conditions were optimized for model solutions of the flavonoid naringenin and used for the identification of phenolic compounds in green leaves extracts of Bergenia crassifolia. OpenSpot sample cards with a metal grid surface were used for sample introduction into the ID-CUBE ion source on an Obitrap mass spectrometer. The samples were applied as 5-μL aliquots of the extract onto the metal grid of the card. Sample ionization was stimulated in the ion source within 20 s by applying an electric current to the metal grid to thermally desorb the analytes into the gas flow of metastable helium atoms from the ID-CUBE. \nRESULTS\nElemental compositions were assigned to abundant ions in the mass spectra of the extracts. The major phenolic components were confirmed by their [M–H]– ions. Thirty-six other marker ions were found, and elemental compositions were suggested for 30\\% of them, based on a search for compounds found in herbal extracts. \nCONCLUSIONS\nThe ID-CUBE–Orbitrap MS coupling allowed the rapid accurate mass determination of the phenolic components (and other compounds) in herbal extracts. Higher confidence in component identification could be provided by using additional structural elucidation methods, including tandem mass spectrometry (MS/MS), and this will be the focus of future studies. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {11},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Crawford, Elizabeth A. and Shikov, Alexander N. and Pozharitskaya, Olga N. and Makarov, Valery G. and Morlock, Gertrud E.},\n\tyear = {2012},\n\tpages = {1329--1337},\n}\n\n\n\n
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\n RATIONALE Bergenia crassifolia is a plant widely used in herbal medicine. Its chemical composition has been little studied, and no studies using high-resolution mass spectrometry (HRMS) have been performed. Its phenolic components are of particular interest, due to the interest in such compounds in medicine and cosmetics. The ID-CUBE, a simplified Direct Analysis in Real Time (DART) ion source, suitable for the fast MS analysis of liquids without complex sample preparation, offers a new method of studying extracts of such plant. Coupling the ID-CUBE with a high-resolution mass spectrometer can provide identification of extract components. METHODS Mass spectral conditions were optimized for model solutions of the flavonoid naringenin and used for the identification of phenolic compounds in green leaves extracts of Bergenia crassifolia. OpenSpot sample cards with a metal grid surface were used for sample introduction into the ID-CUBE ion source on an Obitrap mass spectrometer. The samples were applied as 5-μL aliquots of the extract onto the metal grid of the card. Sample ionization was stimulated in the ion source within 20 s by applying an electric current to the metal grid to thermally desorb the analytes into the gas flow of metastable helium atoms from the ID-CUBE. RESULTS Elemental compositions were assigned to abundant ions in the mass spectra of the extracts. The major phenolic components were confirmed by their [M–H]– ions. Thirty-six other marker ions were found, and elemental compositions were suggested for 30% of them, based on a search for compounds found in herbal extracts. CONCLUSIONS The ID-CUBE–Orbitrap MS coupling allowed the rapid accurate mass determination of the phenolic components (and other compounds) in herbal extracts. Higher confidence in component identification could be provided by using additional structural elucidation methods, including tandem mass spectrometry (MS/MS), and this will be the focus of future studies. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART) Mass Spectrometry of Adulterants in Herbal Slimming Products using a Tandem Quadrupole MS and Data Directed Analysis.\n \n \n \n\n\n \n Jones, M.; Twohig, M; Yu, K; Balogh, M; Tice, J; and Musselman, B\n\n\n \n\n\n\n Planta Med, 78(05): P_127. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{jones_direct_2012,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry} of {Adulterants} in {Herbal} {Slimming} {Products} using a {Tandem} {Quadrupole} {MS} and {Data} {Directed} {Analysis}},\n\tvolume = {78},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0032-1307635},\n\tabstract = {Several troubling studies show the adulteration of herbal slimming products with sibutramine is a common occurrence. Recent reports suggesting an increased risk of serious cardiovascular events (such as heart attack or stroke) in patients with known cardiovascular disease taking sibutramine have prompted the European Medicines Agency (EMA) to recommend that the use of sibutramine be suspended. The aim of this study is to develop specific methods for the rapid screening of herbal medicines for illicit adulteration with pharmaceutical drugs.\n\nHerbal slimming aids were purchased over the internet from store websites and auction sites. Samples were analysed using a direct analysis in real time (DART) interface and a tandem quadrupole mass spectrometer. Samples purchased over the internet were found to contain undeclared pharmaceutical substances with the main component being sibutramine, an appetite suppressant used in the treatment of obesity. In addition to sibutramine, phenolphthalein and sildenafil were also identified none of which were declared on the box or enclosed information.\n\nDuring our study we were able to identify nine samples that had been contaminated by sibutramine. DART with data directed analysis of the sample using a data directed high low collision energy experiment provides simultaneous intact molecular ion and fragmentation information, while allowing samples to be analysed very rapidly and without the need for complex sample preparation or chromatography. The testing of unlicensed herbal medicines and herbal dietary supplements are vital functions due to the possibility of illegal adulteration and/or contamination and the potential that exists for adverse health effects to unsuspecting consumers.},\n\tnumber = {05},\n\tjournal = {Planta Med},\n\tauthor = {Jones, MD and Twohig, M and Yu, K and Balogh, M and Tice, J and Musselman, B},\n\tyear = {2012},\n\tpages = {P\\_127},\n}\n\n\n\n
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\n Several troubling studies show the adulteration of herbal slimming products with sibutramine is a common occurrence. Recent reports suggesting an increased risk of serious cardiovascular events (such as heart attack or stroke) in patients with known cardiovascular disease taking sibutramine have prompted the European Medicines Agency (EMA) to recommend that the use of sibutramine be suspended. The aim of this study is to develop specific methods for the rapid screening of herbal medicines for illicit adulteration with pharmaceutical drugs. Herbal slimming aids were purchased over the internet from store websites and auction sites. Samples were analysed using a direct analysis in real time (DART) interface and a tandem quadrupole mass spectrometer. Samples purchased over the internet were found to contain undeclared pharmaceutical substances with the main component being sibutramine, an appetite suppressant used in the treatment of obesity. In addition to sibutramine, phenolphthalein and sildenafil were also identified none of which were declared on the box or enclosed information. During our study we were able to identify nine samples that had been contaminated by sibutramine. DART with data directed analysis of the sample using a data directed high low collision energy experiment provides simultaneous intact molecular ion and fragmentation information, while allowing samples to be analysed very rapidly and without the need for complex sample preparation or chromatography. The testing of unlicensed herbal medicines and herbal dietary supplements are vital functions due to the possibility of illegal adulteration and/or contamination and the potential that exists for adverse health effects to unsuspecting consumers.\n
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\n \n\n \n \n \n \n \n \n Online Coupling of Capillary Electrophoresis with Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Chang, C.; Xu, G.; Bai, Y.; Zhang, C.; Li, X.; Li, M.; Liu, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical Chemistry. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"OnlinePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{chang_online_2012,\n\ttitle = {Online {Coupling} of {Capillary} {Electrophoresis} with {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac303450v},\n\tdoi = {10.1021/ac303450v},\n\tabstract = {The online coupling of capillary electrophoresis with ambient direct analysis in real time mass spectrometry (DART-MS) was realized by a coaxial tip interface. The analytes eluted from CE were directly ionized by the metastable helium flux produced by DART and transferred into MS for the detection, with which the online separation and simultaneous detection were achieved. The CE-DART-MS can tolerate higher concentrations of detergents and salts than traditional CE-ESI-MS and avoided the difficulties of collecting CE effluent and cleaning the interface, which simplified the experimental procedures and shortened the analysis time. The performance of the technique was successfully verified by capillary zone electrophoresis (CZE) and micellar electrokinetic chromatography (MEKC) using a mixture of 4-aminoantipyrine, zolmitriptan and quinine. This online technique showed good repeatability with the RSDs (n=5) of 0.56{\\textasciitilde}1.23\\% for the retention times and 2.01{\\textasciitilde}7.41\\% for the peak areas. The quantitative analysis of 4-aminoantipyrine was accomplished in the range of 0.01{\\textasciitilde}0.50 mg/mL with the linear correlation coefficient of 0.9995 and limit of detection of 14.7 fmol. Compared with CE-ESI-MS, the ion suppression effects of non-volatile salts and detergents were efficiently minimized. The signal intensity remained constant when the concentrations reached 100 mM for sodium borate and 30 mM for SDS (in 30 mM sodium borate buffer). In addition, the proposed method was successfully applied to the detection of the endogenous caffeine in the Chinese white tea.},\n\turldate = {2012-12-04},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Chang, Cuilan and Xu, Gege and Bai, Yu and Zhang, Chengsen and Li, Xianjiang and Li, Min and Liu, Yi and Liu, Huwei},\n\tmonth = nov,\n\tyear = {2012},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n The online coupling of capillary electrophoresis with ambient direct analysis in real time mass spectrometry (DART-MS) was realized by a coaxial tip interface. The analytes eluted from CE were directly ionized by the metastable helium flux produced by DART and transferred into MS for the detection, with which the online separation and simultaneous detection were achieved. The CE-DART-MS can tolerate higher concentrations of detergents and salts than traditional CE-ESI-MS and avoided the difficulties of collecting CE effluent and cleaning the interface, which simplified the experimental procedures and shortened the analysis time. The performance of the technique was successfully verified by capillary zone electrophoresis (CZE) and micellar electrokinetic chromatography (MEKC) using a mixture of 4-aminoantipyrine, zolmitriptan and quinine. This online technique showed good repeatability with the RSDs (n=5) of 0.56~1.23% for the retention times and 2.01~7.41% for the peak areas. The quantitative analysis of 4-aminoantipyrine was accomplished in the range of 0.01~0.50 mg/mL with the linear correlation coefficient of 0.9995 and limit of detection of 14.7 fmol. Compared with CE-ESI-MS, the ion suppression effects of non-volatile salts and detergents were efficiently minimized. The signal intensity remained constant when the concentrations reached 100 mM for sodium borate and 30 mM for SDS (in 30 mM sodium borate buffer). In addition, the proposed method was successfully applied to the detection of the endogenous caffeine in the Chinese white tea.\n
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\n \n\n \n \n \n \n \n \n Rapid detection of alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS/MS).\n \n \n \n \n\n\n \n Sun, L.; Hu, X.; Liu, L.; Jin, H.; and Lin, R.\n\n\n \n\n\n\n Zhongguo Zhong Yao Za Zhi, 37: 1426–30. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sun_rapid_2012,\n\ttitle = {Rapid detection of alkaloids in {Ipecac} by direct analysis in real time tandem mass spectrometry ({DART}-{MS}/{MS})},\n\tvolume = {37},\n\turl = {http://www.ncbi.nlm.nih.gov/pubmed/22860455},\n\tabstract = {OBJECTIVE: To detect alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS) without pre-treatment and chromatographic separation. METHOD: Under the optimum conditions, DART-MS characteristic spectra were collected for tablet of Ipecac powder, Ipecac stems and leaves by full scanning,and secondary spectra were adopted for identifying alkaloids. The multiple reaction monitoring mode was adopted to determine the mass spectrum peak intensity of determinands on the surface of determined samples, in order to calculate their average content in samples. RESULT: Spectra of tablet of Ipecac powder and Ipecac stems showed remarkable ionized ion peaks of emetine and cephaeline at m/z 481 and 467, while spectra of leaves showed ionized ion peaks of other alkaloids at m/z 479 and 465. Furthermore, the quantitative analysis was also demonstrated with good reproducibility and linear relationship. CONCLUSION:  The mode can play a role in rapid determination of medicinal materials and prepared herbal medicines and real-time rapid quantitative analysis on intermediates and preparations.},\n\tlanguage = {Chinese},\n\tjournal = {Zhongguo Zhong Yao Za Zhi},\n\tauthor = {Sun, Lei and Hu, Xiaoru and Liu, Lina and Jin, Hongyu and Lin, Ruichao},\n\tyear = {2012},\n\tpages = {1426--30},\n}\n\n\n\n
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\n OBJECTIVE: To detect alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS) without pre-treatment and chromatographic separation. METHOD: Under the optimum conditions, DART-MS characteristic spectra were collected for tablet of Ipecac powder, Ipecac stems and leaves by full scanning,and secondary spectra were adopted for identifying alkaloids. The multiple reaction monitoring mode was adopted to determine the mass spectrum peak intensity of determinands on the surface of determined samples, in order to calculate their average content in samples. RESULT: Spectra of tablet of Ipecac powder and Ipecac stems showed remarkable ionized ion peaks of emetine and cephaeline at m/z 481 and 467, while spectra of leaves showed ionized ion peaks of other alkaloids at m/z 479 and 465. Furthermore, the quantitative analysis was also demonstrated with good reproducibility and linear relationship. CONCLUSION: The mode can play a role in rapid determination of medicinal materials and prepared herbal medicines and real-time rapid quantitative analysis on intermediates and preparations.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry for analysis of sexual assault evidence.\n \n \n \n \n\n\n \n Musah, R. A.; Cody, R. B.; Dane, A. J.; Vuong, A. L.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1039–1046. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{musah_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry for analysis of sexual assault evidence},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6198},\n\tdoi = {10.1002/rcm.6198},\n\tabstract = {RATIONALE\nSexual assault crimes are vastly underreported and suffer from alarmingly low prosecution and conviction rates. The key scientific method to aid in prosecution of such cases is forensic DNA analysis, where biological evidence such as semen collected using a rape test kit is used to determine a suspect's DNA profile. However, the growing awareness by criminals of the importance of DNA in the prosecution of sexual assaults has resulted in increased condom use by assailants as a means to avoid leaving behind their DNA. Thus, other types of trace evidence are important to help corroborate victims' accounts, exonerate the innocent, link suspects to the crime, or confirm penetration. \nMETHODS\nDirect Analysis in Real Time Mass Spectrometry (DART-MS) was employed for the comprehensive characterization of non-DNA trace evidence associated with sexual assault. The ambient ionization method associated with DART-MS is extremely rapid and samples are processed instantaneously, without the need for extraction, sample preparation, or other means that might compromise forensic evidence for future analyses. \nRESULTS\nIn a single assay, we demonstrated the ability to identify lubricant formulations associated with sexual assault, such as the spermicide nonoxynol-9, compounds used in condom manufacture, and numerous other trace components as probative evidence. In addition, the method can also serve to identify compounds within trace biological residues, such as fatty acids commonly identified in latent fingerprints. \nCONCLUSIONS\nCharacterization of lubricant residues as probative evidence serves to establish a connection between the victim and the perpetrator, and the availability of these details may lead to higher rates of prosecution and conviction, as well as more severe penalties. The methodology described here opens the way for the adoption of a comprehensive, rapid, and sensitive analysis for use in crime labs, while providing knowledge that can inform and guide criminal justice policy and practice. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Cody, Robert B. and Dane, A. John and Vuong, Angela L. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1039--1046},\n}\n\n\n\n
\n
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\n RATIONALE Sexual assault crimes are vastly underreported and suffer from alarmingly low prosecution and conviction rates. The key scientific method to aid in prosecution of such cases is forensic DNA analysis, where biological evidence such as semen collected using a rape test kit is used to determine a suspect's DNA profile. However, the growing awareness by criminals of the importance of DNA in the prosecution of sexual assaults has resulted in increased condom use by assailants as a means to avoid leaving behind their DNA. Thus, other types of trace evidence are important to help corroborate victims' accounts, exonerate the innocent, link suspects to the crime, or confirm penetration. METHODS Direct Analysis in Real Time Mass Spectrometry (DART-MS) was employed for the comprehensive characterization of non-DNA trace evidence associated with sexual assault. The ambient ionization method associated with DART-MS is extremely rapid and samples are processed instantaneously, without the need for extraction, sample preparation, or other means that might compromise forensic evidence for future analyses. RESULTS In a single assay, we demonstrated the ability to identify lubricant formulations associated with sexual assault, such as the spermicide nonoxynol-9, compounds used in condom manufacture, and numerous other trace components as probative evidence. In addition, the method can also serve to identify compounds within trace biological residues, such as fatty acids commonly identified in latent fingerprints. CONCLUSIONS Characterization of lubricant residues as probative evidence serves to establish a connection between the victim and the perpetrator, and the availability of these details may lead to higher rates of prosecution and conviction, as well as more severe penalties. The methodology described here opens the way for the adoption of a comprehensive, rapid, and sensitive analysis for use in crime labs, while providing knowledge that can inform and guide criminal justice policy and practice. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Metabolomic fingerprinting employing DART-TOFMS for authentication of tomatoes and peppers from organic and conventional farming.\n \n \n \n \n\n\n \n Novotná, H.; Kmiecik, O.; Gałązka, M.; Krtková, V.; Hurajová, A.; Schulzová, V.; Hallmann, E.; Rembiałkowska, E.; and Hajšlová, J.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 29(9): 1335–1346. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"MetabolomicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{novotna_metabolomic_2012,\n\ttitle = {Metabolomic fingerprinting employing {DART}-{TOFMS} for authentication of tomatoes and peppers from organic and conventional farming},\n\tvolume = {29},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2012.690348},\n\tdoi = {10.1080/19440049.2012.690348},\n\tabstract = {The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5\\% for tomato and 100\\% for pepper samples and the prediction abilities were above 80\\% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.\nThe rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5\\% for tomato and 100\\% for pepper samples and the prediction abilities were above 80\\% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.},\n\tnumber = {9},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Novotná, H. and Kmiecik, O. and Gałązka, M. and Krtková, V. and Hurajová, A. and Schulzová, V. and Hallmann, E. and Rembiałkowska, E. and Hajšlová, J.},\n\tyear = {2012},\n\tpages = {1335--1346},\n}\n\n\n\n
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\n The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5% for tomato and 100% for pepper samples and the prediction abilities were above 80% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models. The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5% for tomato and 100% for pepper samples and the prediction abilities were above 80% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.\n
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\n \n\n \n \n \n \n \n \n Ambient Ionization–Accurate Mass Spectrometry (AMI-AMS) for the Identification of Nonvisible Set-off in Food-Contact Materials.\n \n \n \n \n\n\n \n Bentayeb, K.; Ackerman, L. K.; and Begley, T. H.\n\n\n \n\n\n\n J. Agric. Food Chem., 60(8): 1914–1920. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{bentayeb_ambient_2012,\n\ttitle = {Ambient {Ionization}–{Accurate} {Mass} {Spectrometry} ({AMI}-{AMS}) for the {Identification} of {Nonvisible} {Set}-off in {Food}-{Contact} {Materials}},\n\tvolume = {60},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf204456z},\n\tdoi = {10.1021/jf204456z},\n\tabstract = {Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.\nSet-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.},\n\tnumber = {8},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Bentayeb, Karim and Ackerman, Luke K. and Begley, Timothy H.},\n\tyear = {2012},\n\tpages = {1914--1920},\n}\n\n\n\n
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\n Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging. Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.\n
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\n \n\n \n \n \n \n \n \n Reusable Solid Phase Microextraction Coating for Direct Immersion Whole Blood Analysis and Extracted Blood Spot Sampling Coupled with LC-MS/MS and DART-MS/MS.\n \n \n \n \n\n\n \n Mirnaghi, F.; and Pawliszyn, J.\n\n\n \n\n\n\n Anal. Chem.. August 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ReusablePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{mirnaghi_reusable_2012,\n\ttitle = {Reusable {Solid} {Phase} {Microextraction} {Coating} for {Direct} {Immersion} {Whole} {Blood} {Analysis} and {Extracted} {Blood} {Spot} {Sampling} {Coupled} with {LC}-{MS}/{MS} and {DART}-{MS}/{MS}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3018229},\n\tdoi = {10.1021/ac3018229},\n\tabstract = {Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12\\% using external calibration and 4\\% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.\nThree different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12\\% using external calibration and 4\\% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.},\n\tjournal = {Anal. Chem.},\n\tauthor = {Mirnaghi, Fatemeh and Pawliszyn, Janusz},\n\tmonth = aug,\n\tyear = {2012},\n}\n\n\n\n
\n
\n\n\n
\n Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12% using external calibration and 4% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam. Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12% using external calibration and 4% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.\n
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\n \n\n \n \n \n \n \n \n Validation of a Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for the quantitation of six carbon sugars in a saccharification matrix.\n \n \n \n \n\n\n \n Saang'onyo, D.; Selby, G.; and Smith, D. L.\n\n\n \n\n\n\n Anal. Methods. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{saangonyo_validation_2012,\n\ttitle = {Validation of a {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) method for the quantitation of six carbon sugars in a saccharification matrix},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C2AY25337B},\n\tabstract = {A Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for quantitation of six carbon sugars in saccharification matrix (solution used for the enzyme hydrolysis of switchgrass) was developed and validated. The DART ion source was used to produce ammonium adducts of the spiked glucose molecular ion and the d2-glucose (internal standard) that were detected by scanning with a linear ion trap. Calibration curves were obtained over a linear range of 10 to 3000 [small mu ]M with correlation coefficients better than 0.997 and method recoveries were 94.9\\% to 103.0\\%. Matrix effects were observed and managed with matrix-matching standards for generating calibration curves. Limits of detection and quantitation were 5.84 [times] 10-6 M and 1.95 [times] 10-5 M, respectively. These results indicate this method could be implemented for quantitation of glucose generated from saccharification samples.},\n\tjournal = {Anal. Methods},\n\tauthor = {Saang'onyo, Daudi and Selby, Gary and Smith, Darrin L.},\n\tyear = {2012},\n}\n\n\n\n
\n
\n\n\n
\n A Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for quantitation of six carbon sugars in saccharification matrix (solution used for the enzyme hydrolysis of switchgrass) was developed and validated. The DART ion source was used to produce ammonium adducts of the spiked glucose molecular ion and the d2-glucose (internal standard) that were detected by scanning with a linear ion trap. Calibration curves were obtained over a linear range of 10 to 3000 [small mu ]M with correlation coefficients better than 0.997 and method recoveries were 94.9% to 103.0%. Matrix effects were observed and managed with matrix-matching standards for generating calibration curves. Limits of detection and quantitation were 5.84 [times] 10-6 M and 1.95 [times] 10-5 M, respectively. These results indicate this method could be implemented for quantitation of glucose generated from saccharification samples.\n
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\n \n\n \n \n \n \n \n \n Fingerprinting food: current technologies for the detection of food adulteration and contamination.\n \n \n \n \n\n\n \n Ellis, D. I.; Brewster, V. L.; Dunn, W. B.; Allwood, J. W.; Golovanov, A. P.; and Goodacre, R.\n\n\n \n\n\n\n Chem. Soc. Rev.. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"FingerprintingPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{ellis_fingerprinting_2012,\n\ttitle = {Fingerprinting food: current technologies for the detection of food adulteration and contamination},\n\tissn = {0306-0012},\n\turl = {http://dx.doi.org/10.1039/C2CS35138B},\n\tabstract = {Major food adulteration and contamination events seem to occur with some regularity, such as the widely publicised adulteration of milk products with melamine and the recent microbial contamination of vegetables across Europe for example. With globalisation and rapid distribution systems, these can have international impacts with far-reaching and sometimes lethal consequences. These events, though potentially global in the modern era, are in fact far from contemporary, and deliberate adulteration of food products is probably as old as the food processing and production systems themselves. This review first introduces some background into these practices, both historically and contemporary, before introducing a range of the technologies currently available for the detection of food adulteration and contamination. These methods include the vibrational spectroscopies: near-infrared, mid-infrared, Raman; NMR spectroscopy, as well as a range of mass spectrometry (MS) techniques, amongst others. This subject area is particularly relevant at this time, as it not only concerns the continuous engagement with food adulterers, but also more recent issues such as food security, bioterrorism and climate change. It is hoped that this introductory overview acts as a springboard for researchers in science, technology, engineering, and industry, in this era of systems-level thinking and interdisciplinary approaches to new and contemporary problems.},\n\tjournal = {Chem. Soc. Rev.},\n\tauthor = {Ellis, David I. and Brewster, Victoria L. and Dunn, Warwick B. and Allwood, J. William and Golovanov, Alexander P. and Goodacre, Royston},\n\tyear = {2012},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Major food adulteration and contamination events seem to occur with some regularity, such as the widely publicised adulteration of milk products with melamine and the recent microbial contamination of vegetables across Europe for example. With globalisation and rapid distribution systems, these can have international impacts with far-reaching and sometimes lethal consequences. These events, though potentially global in the modern era, are in fact far from contemporary, and deliberate adulteration of food products is probably as old as the food processing and production systems themselves. This review first introduces some background into these practices, both historically and contemporary, before introducing a range of the technologies currently available for the detection of food adulteration and contamination. These methods include the vibrational spectroscopies: near-infrared, mid-infrared, Raman; NMR spectroscopy, as well as a range of mass spectrometry (MS) techniques, amongst others. This subject area is particularly relevant at this time, as it not only concerns the continuous engagement with food adulterers, but also more recent issues such as food security, bioterrorism and climate change. It is hoped that this introductory overview acts as a springboard for researchers in science, technology, engineering, and industry, in this era of systems-level thinking and interdisciplinary approaches to new and contemporary problems.\n
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\n \n\n \n \n \n \n \n \n Corona Discharge Ion Mobility Spectrometry with Orthogonal Acceleration Time of Flight Mass Spectrometry for Monitoring of Volatile Organic Compounds.\n \n \n \n \n\n\n \n Sabo, M.; and Matejčík, Š.\n\n\n \n\n\n\n Analytical Chemistry, 84(12): 5327–5334. May 2012.\n \n\n\n\n
\n\n\n\n \n \n \"CoronaPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sabo_corona_2012,\n\ttitle = {Corona {Discharge} {Ion} {Mobility} {Spectrometry} with {Orthogonal} {Acceleration} {Time} of {Flight} {Mass} {Spectrometry} for {Monitoring} of {Volatile} {Organic} {Compounds}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac300722s},\n\tdoi = {10.1021/ac300722s},\n\tabstract = {We demonstrate the application of corona discharge ion mobility spectrometry with orthogonal acceleration time of flight mass spectrometry (CD IMS-oaTOF) for volatile organic compounds (VOCs) monitoring. Two-dimensional (2D) IMS-oaTOF spectra of VOCs were recorded in nearly real time. The corona discharge atmospheric pressure chemical ionization (APCI) source was operated in positive mode in nitrogen and air. The CD ion source generates in air H3O+(H2O)n and NO+. The NO+ offers additional possibility for selective ionization and for an increase of the sensitivity of monoaromatic compounds. In addition to H3O+(H2O)n and NO+, we have carried out ionization of VOCs using acetone as dopant gas ((CH3)2COH+). Sixteen model VOCs (tetrahydrofuran, butanol, n-propanol, iso-propano, acetone, methanol, ethanol, toluene, benzene, amomnia, dioxan, triethylamine, acetonitrile, formaldehyde, m-xylene, 2,2,2-trifluoroethylamine) were tested using these ionization techniques.},\n\tnumber = {12},\n\turldate = {2012-11-08},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Sabo, Martin and Matejčík, Štefan},\n\tmonth = may,\n\tyear = {2012},\n\tpages = {5327--5334},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n We demonstrate the application of corona discharge ion mobility spectrometry with orthogonal acceleration time of flight mass spectrometry (CD IMS-oaTOF) for volatile organic compounds (VOCs) monitoring. Two-dimensional (2D) IMS-oaTOF spectra of VOCs were recorded in nearly real time. The corona discharge atmospheric pressure chemical ionization (APCI) source was operated in positive mode in nitrogen and air. The CD ion source generates in air H3O+(H2O)n and NO+. The NO+ offers additional possibility for selective ionization and for an increase of the sensitivity of monoaromatic compounds. In addition to H3O+(H2O)n and NO+, we have carried out ionization of VOCs using acetone as dopant gas ((CH3)2COH+). Sixteen model VOCs (tetrahydrofuran, butanol, n-propanol, iso-propano, acetone, methanol, ethanol, toluene, benzene, amomnia, dioxan, triethylamine, acetonitrile, formaldehyde, m-xylene, 2,2,2-trifluoroethylamine) were tested using these ionization techniques.\n
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\n \n\n \n \n \n \n \n \n Rapid classification of White Oak (Quercus alba) and Northern Red Oak (Quercus rubra) by using pyrolysis direct analysis in real time (DART™) and time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Cody, R. B.; Dane, A. J.; Dawson-Andoh, B.; Adedipe, E. O.; and Nkansah, K.\n\n\n \n\n\n\n Journal of Analytical and Applied Pyrolysis, 95(0): 134–137. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cody_rapid_2012,\n\ttitle = {Rapid classification of {White} {Oak} ({Quercus} alba) and {Northern} {Red} {Oak} ({Quercus} rubra) by using pyrolysis direct analysis in real time ({DART}™) and time-of-flight mass spectrometry},\n\tvolume = {95},\n\tissn = {0165-2370},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0165237012000204},\n\tdoi = {10.1016/j.jaap.2012.01.018},\n\tabstract = {Thirty-four samples of Red Oak (Quercus rubra) and fifty samples of White Oak (Quercus alba) were analyzed by pyrolytic direct analysis in real time (DART) ionization coupled with time-of-flight (TOF) mass spectrometry. Although significant differences were not observed in the positive-ion mass spectra, the negative-ion mass spectra showed clear differences. Principal component analysis (PCA) and linear discriminant analysis (LDA) were calculated for the relative abundances of 11 peaks in the negative-ion mass spectra including peaks tentatively assigned as representing deprotonated acetic, malic, gallic, dimethoxycinnamic, and ellagic acids. Leave one out cross validation (LOOCV) was 100\\% successful in classifying the samples for both PCA and LDA.},\n\tnumber = {0},\n\tjournal = {Journal of Analytical and Applied Pyrolysis},\n\tauthor = {Cody, Robert B. and Dane, A. John and Dawson-Andoh, Benjamin and Adedipe, Emmanuel Oluwatosin and Nkansah, Kofi},\n\tyear = {2012},\n\tkeywords = {AccuTOF, Ambient ionization, Direct analysis in real time, Red oak, Time-of-flight, White oak},\n\tpages = {134--137},\n}\n\n\n\n
\n
\n\n\n
\n Thirty-four samples of Red Oak (Quercus rubra) and fifty samples of White Oak (Quercus alba) were analyzed by pyrolytic direct analysis in real time (DART) ionization coupled with time-of-flight (TOF) mass spectrometry. Although significant differences were not observed in the positive-ion mass spectra, the negative-ion mass spectra showed clear differences. Principal component analysis (PCA) and linear discriminant analysis (LDA) were calculated for the relative abundances of 11 peaks in the negative-ion mass spectra including peaks tentatively assigned as representing deprotonated acetic, malic, gallic, dimethoxycinnamic, and ellagic acids. Leave one out cross validation (LOOCV) was 100% successful in classifying the samples for both PCA and LDA.\n
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\n \n\n \n \n \n \n \n Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization.\n \n \n \n\n\n \n He, X.; Xie, Z.; Gao, Y.; Hu, W.; Guo, L.; Jiang, L.; and Lu, Y.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 67: 64–73. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{he_mass_2012,\n\ttitle = {Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization},\n\tvolume = {67},\n\tabstract = {Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {He, X.N. and Xie, Z.Q. and Gao, Y. and Hu, W. and Guo, L.B. and Jiang, L. and Lu, Y.F.},\n\tyear = {2012},\n\tkeywords = {LI-TOFMS; DART; Laser-induced plasma; LIBS; AccuTOF},\n\tpages = {64--73},\n}\n\n\n\n
\n
\n\n\n
\n Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.\n
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\n \n\n \n \n \n \n \n \n Assessing the capabilities of direct analysis in real time mass spectrometry for 5-hydroxymethylfurfural quantitation in honey.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 314(0): 22–32. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AssessingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{chernetsova_assessing_2012,\n\ttitle = {Assessing the capabilities of direct analysis in real time mass spectrometry for 5-hydroxymethylfurfural quantitation in honey},\n\tvolume = {314},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380612000280},\n\tdoi = {10.1016/j.ijms.2012.01.012},\n\tabstract = {The limitations of direct analysis in real time mass spectrometry (DART-MS) were shown with the example of 5-hydroxymethylfurfural (HMF) quantitation in honey. An accurate analyte quantitation was impossible because the carbohydrate matrix partially degraded to the analyte in the ionization region. However, at a decreased DART temperature of 150\\&\\#xa0;°C, the DART-MS screening was possible using two spiked reference samples. The influence of instrumental parameters on the composition of the DART mass spectra for HMF and carbohydrates was investigated. Also, first data on scanning surface analysis with DART-MS were obtained giving rise for further studies in this direction.},\n\tnumber = {0},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tyear = {2012},\n\tkeywords = {5-Hydroxymethylfurfural, Carbohydrates, Direct analysis in real time mass spectrometry, Direct analysis in real time mass spectrometry; Honey; 5-Hydroxymethylfurfural; HMF; Carbohydrates; Screening assays, HMF, Honey, Screening},\n\tpages = {22--32},\n}\n\n\n\n
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\n\n\n
\n The limitations of direct analysis in real time mass spectrometry (DART-MS) were shown with the example of 5-hydroxymethylfurfural (HMF) quantitation in honey. An accurate analyte quantitation was impossible because the carbohydrate matrix partially degraded to the analyte in the ionization region. However, at a decreased DART temperature of 150 °C, the DART-MS screening was possible using two spiked reference samples. The influence of instrumental parameters on the composition of the DART mass spectra for HMF and carbohydrates was investigated. Also, first data on scanning surface analysis with DART-MS were obtained giving rise for further studies in this direction.\n
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\n \n\n \n \n \n \n \n \n Rapid analysis of caffeine in various coffee samples employing direct analysis in real-time ionization–high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Danhelova, H.; Hradecky, J.; Prinosilova, S.; Cajka, T.; Riddellova, K.; Vaclavik, L.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–7. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{danhelova_rapid_2012,\n\ttitle = {Rapid analysis of caffeine in various coffee samples employing direct analysis in real-time ionization–high-resolution mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5820-2},\n\tabstract = {The development and use of a fast method employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) for the quantitative analysis of caffeine in various coffee samples has been demonstrated in this study. A simple sample extraction procedure employing hot water was followed by direct, high-throughput (\\&lt;1 min per run) examination of the extracts spread on a glass rod under optimized conditions of ambient mass spectrometry, without any prior chromatographic separation. For quantification of caffeine using DART-TOFMS, an external calibration was used. Isotopically labeled caffeine was used to compensate for the variations of the ion intensities of caffeine signal. Recoveries of the DART-TOFMS method were 97\\% for instant coffee at the spiking levels of 20 and 60 mg/g, respectively, while for roasted ground coffee, the obtained values were 106\\% and 107\\% at the spiking levels of 10 and 30 mg/g, respectively. The repeatability of the whole analytical procedure (expressed as relative standard deviation, RSD, \\%) was \\&lt;5\\% for all tested spiking levels and matrices. Since the linearity range of the method was relatively narrow (two orders of magnitude), an optimization of sample dilution prior the DART-TOFMS measurement to avoid saturation of the detector was needed.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Danhelova, Hana and Hradecky, Jaromir and Prinosilova, Sarka and Cajka, Tomas and Riddellova, Katerina and Vaclavik, Lukas and Hajslova, Jana},\n\tyear = {2012},\n\tpages = {1--7},\n}\n\n\n\n
\n
\n\n\n
\n The development and use of a fast method employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) for the quantitative analysis of caffeine in various coffee samples has been demonstrated in this study. A simple sample extraction procedure employing hot water was followed by direct, high-throughput (<1 min per run) examination of the extracts spread on a glass rod under optimized conditions of ambient mass spectrometry, without any prior chromatographic separation. For quantification of caffeine using DART-TOFMS, an external calibration was used. Isotopically labeled caffeine was used to compensate for the variations of the ion intensities of caffeine signal. Recoveries of the DART-TOFMS method were 97% for instant coffee at the spiking levels of 20 and 60 mg/g, respectively, while for roasted ground coffee, the obtained values were 106% and 107% at the spiking levels of 10 and 30 mg/g, respectively. The repeatability of the whole analytical procedure (expressed as relative standard deviation, RSD, %) was <5% for all tested spiking levels and matrices. Since the linearity range of the method was relatively narrow (two orders of magnitude), an optimization of sample dilution prior the DART-TOFMS measurement to avoid saturation of the detector was needed.\n
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\n \n\n \n \n \n \n \n \n Sensitivity “Hot Spots” in the Direct Analysis in Real Time Mass Spectrometry of Nerve Agent Simulants.\n \n \n \n \n\n\n \n Harris, G. A.; Falcone, C. E.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 23(1): 153–161. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"SensitivityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{harris_sensitivity_2012,\n\ttitle = {Sensitivity “{Hot} {Spots}” in the {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} of {Nerve} {Agent} {Simulants}},\n\tvolume = {23},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-011-0276-8},\n\tdoi = {10.1007/s13361-011-0276-8},\n\tabstract = {Presented here are findings describing the spatial-dependence of sensitivity and ion suppression effects observed with direct analysis in real time (DART). Continuous liquid infusion of dimethyl methyl phosphonate (DMMP) revealed that ion yield “hot spots” did not always correspond with the highest temperature regions within the ionization space. For instance, at lower concentrations (50 and 100 μM), the highest sensitivities were in the middle of the ionization region at 200 °C where there was a shorter ion transport distance, and the heat available to thermally desorb neutrals was moderate. Conversely, at higher DMMP concentrations (500 μM), the highest ion yield was directly in front of the DART source at 200 °C where it was exposed to the highest temperature for thermal desorption. In matching experiments, differential analyte volatility was observed to play a smaller role in relative ion suppression than differences in proton affinity and the relative sampling positions of analytes. At equimolar concentrations sampled at the same position, suppression was as high as 26× between isoquinoline (proton affinity 952 kJ mol–1, boiling point 242 °C) and p-anisidine (proton affinity 900 kJ mol–1, boiling point 243 °C). This effect was exacerbated when sampling positions of the two analytes differed, reaching levels of relative suppression as high as 4543.0× ± 1406.0. To mitigate this level of relative ion suppression, sampling positions and molar ratios of the analytes were modified to create conditions in which ion suppression was negligible.},\n\tnumber = {1},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Harris, Glenn A. and Falcone, Caitlin E. and Fernández, Facundo M.},\n\tyear = {2012},\n\tkeywords = {Biomedical and Life Sciences, Direct analysis in real time (DART); Ambient MS; Ionization fundamentals; Ion suppression; Nerve agent simulants; AccuTOF},\n\tpages = {153--161},\n}\n\n\n\n
\n
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\n Presented here are findings describing the spatial-dependence of sensitivity and ion suppression effects observed with direct analysis in real time (DART). Continuous liquid infusion of dimethyl methyl phosphonate (DMMP) revealed that ion yield “hot spots” did not always correspond with the highest temperature regions within the ionization space. For instance, at lower concentrations (50 and 100 μM), the highest sensitivities were in the middle of the ionization region at 200 °C where there was a shorter ion transport distance, and the heat available to thermally desorb neutrals was moderate. Conversely, at higher DMMP concentrations (500 μM), the highest ion yield was directly in front of the DART source at 200 °C where it was exposed to the highest temperature for thermal desorption. In matching experiments, differential analyte volatility was observed to play a smaller role in relative ion suppression than differences in proton affinity and the relative sampling positions of analytes. At equimolar concentrations sampled at the same position, suppression was as high as 26× between isoquinoline (proton affinity 952 kJ mol–1, boiling point 242 °C) and p-anisidine (proton affinity 900 kJ mol–1, boiling point 243 °C). This effect was exacerbated when sampling positions of the two analytes differed, reaching levels of relative suppression as high as 4543.0× ± 1406.0. To mitigate this level of relative ion suppression, sampling positions and molar ratios of the analytes were modified to create conditions in which ion suppression was negligible.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of synthetic cannabinoids in herbal samples via direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Musah, R. A.; Domin, M. A.; Walling, M. A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1109–1114. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{musah_rapid_2012,\n\ttitle = {Rapid identification of synthetic cannabinoids in herbal samples via direct analysis in real time mass spectrometry},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6205},\n\tdoi = {10.1002/rcm.6205},\n\tabstract = {RATIONALE\nDozens of synthetic cannabinoid analogs purposefully meant to circumvent legal restrictions associated with controlled substances continue to be manufactured and promoted as producing 'legal highs'. These designer drugs are difficult to identify in conventional drug screens not only because routine protocols have not been developed for their detection, but also because their association with complex plant matrices during manufacture generally requires labor-intensive extraction and sample preparation for analysis. To address this new and important challenge in forensic chemistry, Direct Analysis in Real Time Mass Spectrometry (DART-MS) is applied to the analysis of these designer drugs. \nMETHODS\nDART-MS was employed to sample synthetic cannabinoids directly on botanical matrices. The ambient ionization method associated with DART-MS permitted the analysis of solid herbal samples directly, without the need for extraction or sample preparation. The high mass resolution time-of-flight analyzer allowed identification of these substances despite their presence within a complex matrix and enabled differentiation of closely related analogs. \nRESULTS\nDART-MS was performed to rapidly identify the synthetic cannabinoids AM-251 and JWH-015. For each cannabinoid, three hundred micrograms (300 µg) of material was easily detected within an excess of background matrix by mass. \nCONCLUSIONS\nNew variations of herbal blends containing a wide range of base components and laced with synthetic cannabinoids are being produced, making their presence difficult to track by conventional methods. DART-MS permits rapid identification of trace synthetic cannabinoids within complex biological matrices, with excellent sensitivity and specificity compared with standard methods. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Domin, Marek A. and Walling, Maureen A. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1109--1114},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Dozens of synthetic cannabinoid analogs purposefully meant to circumvent legal restrictions associated with controlled substances continue to be manufactured and promoted as producing 'legal highs'. These designer drugs are difficult to identify in conventional drug screens not only because routine protocols have not been developed for their detection, but also because their association with complex plant matrices during manufacture generally requires labor-intensive extraction and sample preparation for analysis. To address this new and important challenge in forensic chemistry, Direct Analysis in Real Time Mass Spectrometry (DART-MS) is applied to the analysis of these designer drugs. METHODS DART-MS was employed to sample synthetic cannabinoids directly on botanical matrices. The ambient ionization method associated with DART-MS permitted the analysis of solid herbal samples directly, without the need for extraction or sample preparation. The high mass resolution time-of-flight analyzer allowed identification of these substances despite their presence within a complex matrix and enabled differentiation of closely related analogs. RESULTS DART-MS was performed to rapidly identify the synthetic cannabinoids AM-251 and JWH-015. For each cannabinoid, three hundred micrograms (300 µg) of material was easily detected within an excess of background matrix by mass. CONCLUSIONS New variations of herbal blends containing a wide range of base components and laced with synthetic cannabinoids are being produced, making their presence difficult to track by conventional methods. DART-MS permits rapid identification of trace synthetic cannabinoids within complex biological matrices, with excellent sensitivity and specificity compared with standard methods. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Evaluating agarwood products for 2-(2-phenylethyl)chromones using direct analysis in real time time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Lancaster, C.; and Espinoza, E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(23): 2649–2656. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lancaster_evaluating_2012,\n\ttitle = {Evaluating agarwood products for 2-(2-phenylethyl)chromones using direct analysis in real time time-of-flight mass spectrometry},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6388},\n\tdoi = {10.1002/rcm.6388},\n\tabstract = {RATIONALE \n \nAgarwood is the resinous material harvested from threatened Aquilaria species. We investigated how many protonated 2-(2-phenylethyl)chromone ions were sufficient to make an accurate identification of agarwood. Analysis of 125 reference samples was carried out by direct analysis in real time time-of-flight mass spectrometry (DART-TOFMS). The identification criteria developed were applied to commercial samples. \n \nMETHODS \n \nWe developed a technique that uses DART-TOFMS to detect 2-(2-phenylethyl)chromones. Additionally, we developed a set of criteria to infer the presence of Aquilaria in commercial samples of wood chips, sawdust, incense and liquids. Additionally, we examined other fragrant woods to determine if they contained a chemical profile that could be falsely identified as agarwood. \n \nRESULTS \n \nAnalysis of reference and commercial samples (n = 151) established that DART-TOFMS provides reproducible mass spectra that are useful for inferring the genus of suspected agarwood samples. We identified 17 ions which were useful for authenticating agarwood. Comparison of the number of chromone ions detected by direct analyses of dry wood chips versus eluent analysis of methanol-extracted wood showed that results were similar. Lastly, analysis of 25 scented woods of other species did not give false positive results. \n \nCONCLUSIONS \n \nReliable criteria for inferring agarwood include the presence of diagnostic ions, m/z 319.118 or 349.129, in addition to ten or more ions characteristic of 2-(2-phenylethyl)chromones. Wood anatomists challenged with difficult morphological identifications can use this tool to assist in their analyses. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {23},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Lancaster, Cady and Espinoza, Edgard},\n\tyear = {2012},\n\tpages = {2649--2656},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Agarwood is the resinous material harvested from threatened Aquilaria species. We investigated how many protonated 2-(2-phenylethyl)chromone ions were sufficient to make an accurate identification of agarwood. Analysis of 125 reference samples was carried out by direct analysis in real time time-of-flight mass spectrometry (DART-TOFMS). The identification criteria developed were applied to commercial samples. METHODS We developed a technique that uses DART-TOFMS to detect 2-(2-phenylethyl)chromones. Additionally, we developed a set of criteria to infer the presence of Aquilaria in commercial samples of wood chips, sawdust, incense and liquids. Additionally, we examined other fragrant woods to determine if they contained a chemical profile that could be falsely identified as agarwood. RESULTS Analysis of reference and commercial samples (n = 151) established that DART-TOFMS provides reproducible mass spectra that are useful for inferring the genus of suspected agarwood samples. We identified 17 ions which were useful for authenticating agarwood. Comparison of the number of chromone ions detected by direct analyses of dry wood chips versus eluent analysis of methanol-extracted wood showed that results were similar. Lastly, analysis of 25 scented woods of other species did not give false positive results. CONCLUSIONS Reliable criteria for inferring agarwood include the presence of diagnostic ions, m/z 319.118 or 349.129, in addition to ten or more ions characteristic of 2-(2-phenylethyl)chromones. Wood anatomists challenged with difficult morphological identifications can use this tool to assist in their analyses. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Rapid qualitative analysis of phthalates added to food and nutraceutical products by direct analysis in real time/orbitrap mass spectrometry.\n \n \n \n \n\n\n \n Self, R. L.; and Wu, W.\n\n\n \n\n\n\n Food Control, 25(1): 13–16. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{self_rapid_2012,\n\ttitle = {Rapid qualitative analysis of phthalates added to food and nutraceutical products by direct analysis in real time/orbitrap mass spectrometry},\n\tvolume = {25},\n\tissn = {0956-7135},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0956713511004178},\n\tdoi = {10.1016/j.foodcont.2011.10.013},\n\tabstract = {A recent food safety issue involves the contamination of a broad range of food and nutraceutical products from Taiwan with industrial plasticizers. Among the suspected contaminants are selected phthalic acid esters, such as benzyl butyl phthalate, dibutyl phthalate, diisobutyl phthalate, di-2-ethylhexyl phthalate, di-n-octyl phthalate, diisononyl phthalate, and diisodecyl phthalate. Described in this study is an analytical method to rapidly qualitatively analyze these compounds in a wide variety of food and nutraceutical matrices suspected in this crisis. The method utilizes direct analysis in real time (DART) ionization coupled to a Thermo Exactive orbitrap mass spectrometer. The method is shown to be capable of detecting these compounds at levels greater than 1.0 μg/mL in all food products examined and 0.5 μg/mL in most of the samples tested. In the nutraceutical samples tested, the compounds were detected at levels of 50 μg/g for all samples with some detected as low as 1.0 μg/g.},\n\tnumber = {1},\n\tjournal = {Food Control},\n\tauthor = {Self, Randy L. and Wu, Wen-Hsin},\n\tyear = {2012},\n\tkeywords = {Direct analysis in real time (DART), Food safety, Orbitrap, Phthalates, Phthalates; Direct analysis in real time (DART); Orbitrap; Food safety},\n\tpages = {13--16},\n}\n\n\n\n
\n
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\n A recent food safety issue involves the contamination of a broad range of food and nutraceutical products from Taiwan with industrial plasticizers. Among the suspected contaminants are selected phthalic acid esters, such as benzyl butyl phthalate, dibutyl phthalate, diisobutyl phthalate, di-2-ethylhexyl phthalate, di-n-octyl phthalate, diisononyl phthalate, and diisodecyl phthalate. Described in this study is an analytical method to rapidly qualitatively analyze these compounds in a wide variety of food and nutraceutical matrices suspected in this crisis. The method utilizes direct analysis in real time (DART) ionization coupled to a Thermo Exactive orbitrap mass spectrometer. The method is shown to be capable of detecting these compounds at levels greater than 1.0 μg/mL in all food products examined and 0.5 μg/mL in most of the samples tested. In the nutraceutical samples tested, the compounds were detected at levels of 50 μg/g for all samples with some detected as low as 1.0 μg/g.\n
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\n \n\n \n \n \n \n \n \n Detection of nitro-organic and peroxide explosives in latent fingermarks by DART- and SALDI-TOF-mass spectrometry.\n \n \n \n \n\n\n \n Rowell, F.; Seviour, J.; Lim, A. Y.; Elumbaring-Salazar, C. G.; Loke, J.; and Ma, J.\n\n\n \n\n\n\n Forensic Science International, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{rowell_detection_2012,\n\ttitle = {Detection of nitro-organic and peroxide explosives in latent fingermarks by {DART}- and {SALDI}-{TOF}-mass spectrometry},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073812001703},\n\tdoi = {10.1016/j.forsciint.2012.04.007},\n\tabstract = {The ability of two mass spectrometric methods, surface-assisted laser desorption/ionization-time of flight-mass spectrometry (SALDI-TOF-MS) and direct analysis in real time (DART-MS), to detect the presence of seven common explosives (six nitro-organic- and one peroxide-type) in spiked latent fingermarks has been examined. It was found that each explosive could be detected with nanogram sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-TOF-MS for marks pre-dusted with one type of commercial black magnetic powder. These explosives also could be detected in latent marks lifted from six common surfaces (paper, plastic bag, metal drinks can, wood laminate, adhesive tape and white ceramic tile) whereas no explosive could be detected in equivalent pre-dusted marks on the surface of a commercial lifting tape by the DART-MS method due to high background interference from the tape material. The presence of TNT and Tetryl could be detected in pre-dusted latent fingermarks on a commercial lifting tape for up to 29 days sealed and stored under ambient conditions.},\n\tnumber = {0},\n\tjournal = {Forensic Science International},\n\tauthor = {Rowell, Frederick and Seviour, John and Lim, Angelina Yimei and Elumbaring-Salazar, Cheryl Grace and Loke, Jason and Ma, Jan},\n\tyear = {2012},\n\tkeywords = {Contact residues, DART-mass spectrometry, Dusting powder, Lifted latent fingermarks, Nitro-organic and peroxide explosives, SALDI-TOF-mass spectrometry, Stability},\n}\n\n\n\n
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\n The ability of two mass spectrometric methods, surface-assisted laser desorption/ionization-time of flight-mass spectrometry (SALDI-TOF-MS) and direct analysis in real time (DART-MS), to detect the presence of seven common explosives (six nitro-organic- and one peroxide-type) in spiked latent fingermarks has been examined. It was found that each explosive could be detected with nanogram sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-TOF-MS for marks pre-dusted with one type of commercial black magnetic powder. These explosives also could be detected in latent marks lifted from six common surfaces (paper, plastic bag, metal drinks can, wood laminate, adhesive tape and white ceramic tile) whereas no explosive could be detected in equivalent pre-dusted marks on the surface of a commercial lifting tape by the DART-MS method due to high background interference from the tape material. The presence of TNT and Tetryl could be detected in pre-dusted latent fingermarks on a commercial lifting tape for up to 29 days sealed and stored under ambient conditions.\n
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\n \n\n \n \n \n \n \n \n Rapid control of Chinese star anise fruits and teas for neurotoxic anisatin by Direct Analysis in Real Time (DART) high resolution mass spectrometry.\n \n \n \n \n\n\n \n Shen, Y.; van Beek, T. A.; Claassen, F. W.; Zuilhof, H.; Chen, B.; and Nielen, M. W.\n\n\n \n\n\n\n Journal of Chromatography A, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{shen_rapid_2012,\n\ttitle = {Rapid control of {Chinese} star anise fruits and teas for neurotoxic anisatin by {Direct} {Analysis} in {Real} {Time} ({DART}) high resolution mass spectrometry},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967312004712},\n\tdoi = {10.1016/j.chroma.2012.03.058},\n\tabstract = {After ingestion, products containing Chinese star anise (Illicium verum) contaminated or adulterated with Japanese star anise (Illicium anisatum) or other Illicium species, can cause epilepsy, hallucinations, and nausea due to the rare neurotoxic sesquiterpene dilactone anisatin that is present in Japanese star anise. Thus a rapid, simple and unambiguous method for distinguishing between the morphologically similar Chinese star anise and toxic Japanese star anise is important for food safety issues. Direct Analysis in Real Time (DART) ambient ionisation coupled with orbitrap high resolution mass spectrometry allowed the recording of mass spectra of anisatin in solid star anise fruits in seconds without any prior sample pretreatment. Spectra could be obtained in both positive ([M+NH4]+ at m/z 346.1496, C15H24NO8) and negative mode ([M−H]− at m/z 327.1074, C15H19O8) and gave the same outcome provided a mass resolution of at least 27,000 is available. The anisatin signal was typically \\&gt;1000 times larger in Japanese star anise than in Chinese star anise thus allowing an unequivocal qualitative determination. Herbal teas containing star anise fragments too small to be visually recognised, could be analysed by preparing a tea in 6\\&\\#xa0;min and subsequently sampling ∼2\\&\\#xa0;μL of tea on a glass rod. None of the 8 investigated retail teas contained significant quantities of anisatin. Spiking a complex herbal tea containing Chinese star anise with an equally concentrated tea prepared from Japanese star anise provided a linear calibration curve (R2\\&\\#xa0;≥\\&\\#xa0;0.995) after normalising on a native constituent of Chinese star anise (standard addition method). This showed that adulteration down to 1\\% (w/w) is still measurable. Compared with existing PCR, TLC, GC–MS and HPLC–ESI-MS/MS procedures, the proposed DART–HRMS procedure is faster and simpler and moreover measures the actual biotoxin.},\n\tnumber = {0},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Shen, Yao and van Beek, Teris A. and Claassen, Frank W. and Zuilhof, Han and Chen, Bo and Nielen, Michel W.F.},\n\tyear = {2012},\n\tkeywords = {Anisatin, Biotoxin, DART, Food analysis, Star anise, mass spectrometry},\n}\n\n\n\n
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\n After ingestion, products containing Chinese star anise (Illicium verum) contaminated or adulterated with Japanese star anise (Illicium anisatum) or other Illicium species, can cause epilepsy, hallucinations, and nausea due to the rare neurotoxic sesquiterpene dilactone anisatin that is present in Japanese star anise. Thus a rapid, simple and unambiguous method for distinguishing between the morphologically similar Chinese star anise and toxic Japanese star anise is important for food safety issues. Direct Analysis in Real Time (DART) ambient ionisation coupled with orbitrap high resolution mass spectrometry allowed the recording of mass spectra of anisatin in solid star anise fruits in seconds without any prior sample pretreatment. Spectra could be obtained in both positive ([M+NH4]+ at m/z 346.1496, C15H24NO8) and negative mode ([M−H]− at m/z 327.1074, C15H19O8) and gave the same outcome provided a mass resolution of at least 27,000 is available. The anisatin signal was typically >1000 times larger in Japanese star anise than in Chinese star anise thus allowing an unequivocal qualitative determination. Herbal teas containing star anise fragments too small to be visually recognised, could be analysed by preparing a tea in 6 min and subsequently sampling ∼2 μL of tea on a glass rod. None of the 8 investigated retail teas contained significant quantities of anisatin. Spiking a complex herbal tea containing Chinese star anise with an equally concentrated tea prepared from Japanese star anise provided a linear calibration curve (R2 ≥ 0.995) after normalising on a native constituent of Chinese star anise (standard addition method). This showed that adulteration down to 1% (w/w) is still measurable. Compared with existing PCR, TLC, GC–MS and HPLC–ESI-MS/MS procedures, the proposed DART–HRMS procedure is faster and simpler and moreover measures the actual biotoxin.\n
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\n \n\n \n \n \n \n \n \n The evaluation and implementation of direct analysis in real time quadrupole time-of-flight tandem mass spectrometry for characterization and quantification of geniposide in Re Du Ning Injections.\n \n \n \n \n\n\n \n Li, Y.; Wang, Z.; Bi, Y.; Ding, G.; Sheng, L.; Qin, J.; Xiao, W.; Li, J.; Wang, Y.; and Wang, X.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(11): 1377–1384. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{li_evaluation_2012,\n\ttitle = {The evaluation and implementation of direct analysis in real time quadrupole time-of-flight tandem mass spectrometry for characterization and quantification of geniposide in {Re} {Du} {Ning} {Injections}},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6235},\n\tdoi = {10.1002/rcm.6235},\n\tabstract = {RATIONALE\nThe Direct Analysis in Real Time (DART) ionization source coupled with a quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples from complex Chinese herbal preparations without sample cleanup or chromatographic separation. \nMETHODS\nIn this work, a method based on DART/Q-TOF MS/MS has been developed for rapid determination of geniposide present in 'Re Du Ning Injections', a Chinese herbal preparation. The method has been evaluated for both qualitative and quantitative analysis of geniposide in Re Du Ning Injections. \nRESULTS\nVariables including polarity for ion detection, DART gas heater temperature, matrix effect and sample presentation speed were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision and accuracy by using both internal and external standards. A comparison of the results obtained using the DART-based method was made with those obtained using a conventional High-Performance Liquid Chromatography/Diode-Array Detector (HPLC/DAD) by analyzing geniposide in four batches of Re Du Ning Injections. \nCONCLUSIONS\nThe DART/Q-TOF MS/MS-based method provides a rapid, efficient and powerful method to analyze compounds from complex Traditional Chinese Medicines with limited sample preparation thus reducing time and complexity of quality control for those materials. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {11},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Li, Yan-Jing and Wang, Zhen-Zhong and Bi, Yu-An and Ding, Gang and Sheng, Long-Sheng and Qin, Jian-Ping and Xiao, Wei and Li, Jia-Chun and Wang, Yong-Xiang and Wang, Xue},\n\tyear = {2012},\n\tpages = {1377--1384},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n RATIONALE The Direct Analysis in Real Time (DART) ionization source coupled with a quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples from complex Chinese herbal preparations without sample cleanup or chromatographic separation. METHODS In this work, a method based on DART/Q-TOF MS/MS has been developed for rapid determination of geniposide present in 'Re Du Ning Injections', a Chinese herbal preparation. The method has been evaluated for both qualitative and quantitative analysis of geniposide in Re Du Ning Injections. RESULTS Variables including polarity for ion detection, DART gas heater temperature, matrix effect and sample presentation speed were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision and accuracy by using both internal and external standards. A comparison of the results obtained using the DART-based method was made with those obtained using a conventional High-Performance Liquid Chromatography/Diode-Array Detector (HPLC/DAD) by analyzing geniposide in four batches of Re Du Ning Injections. CONCLUSIONS The DART/Q-TOF MS/MS-based method provides a rapid, efficient and powerful method to analyze compounds from complex Traditional Chinese Medicines with limited sample preparation thus reducing time and complexity of quality control for those materials. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Normal phase LC coupled with DART-MS for the chiral analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol and jasmonic acid.\n \n \n \n \n\n\n \n Chang, C.; Zhou, Z.; Yang, Y.; Han, Y.; Bai, Y.; Zhao, M.; and Liu, H.\n\n\n \n\n\n\n ELECTROPHORESIS,n/a. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"NormalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{chang_normal_2012,\n\ttitle = {Normal phase {LC} coupled with {DART}-{MS} for the chiral analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol and jasmonic acid},\n\tissn = {1522-2683},\n\turl = {http://dx.doi.org/10.1002/elps.201200122},\n\tdoi = {10.1002/elps.201200122},\n\tabstract = {Normal phase chiral liquid chromatography has been proved to be powerful and efficient for chiral separation. However, the combination of normal phase liquid chromatography (NPLC) with electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) is restricted by the poor ionization efficiency and thermal fragmentations of analytes to some extent. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization technique that shows high ionization efficiency of the analytes in the normal phase mobile phase. In this work, we coupled chiral NPLC to DART-MS for the chiral qualitative and quantitative analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) and jasmonic acid (JA) enantiomers. Satisfactory results for the enantiomers of NNAL operating in the positive mode were obtained in terms of linearity (2.5–250 μg/mL, R2, 0.999–1.000) and repeatability (25 μg/mL, RSDs, 4.7–5.6\\%). Moreover, chiral NPLC-DART-MS resulted in the simultaneous chiral separation and detection of JA enantiomers, which are very difficult to be analyzed by NPLC-ESI-MS and NPLC-APCI-MS. Compared with the coupled techniques of NPLC-ESI-MS and NPLC-APCI-MS, NPLC-DART-MS showed advantages in increasing the ionization efficiency and reducing the in-source thermal fragmentation of analytes.},\n\tjournal = {ELECTROPHORESIS},\n\tauthor = {Chang, Cuilan and Zhou, Zhigui and Yang, Youyou and Han, Yehua and Bai, Yu and Zhao, Meiping and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol, Chiral separation, DART-MS, Jasmonic acid, NPLC},\n\tpages = {n/a},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Normal phase chiral liquid chromatography has been proved to be powerful and efficient for chiral separation. However, the combination of normal phase liquid chromatography (NPLC) with electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) is restricted by the poor ionization efficiency and thermal fragmentations of analytes to some extent. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization technique that shows high ionization efficiency of the analytes in the normal phase mobile phase. In this work, we coupled chiral NPLC to DART-MS for the chiral qualitative and quantitative analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) and jasmonic acid (JA) enantiomers. Satisfactory results for the enantiomers of NNAL operating in the positive mode were obtained in terms of linearity (2.5–250 μg/mL, R2, 0.999–1.000) and repeatability (25 μg/mL, RSDs, 4.7–5.6%). Moreover, chiral NPLC-DART-MS resulted in the simultaneous chiral separation and detection of JA enantiomers, which are very difficult to be analyzed by NPLC-ESI-MS and NPLC-APCI-MS. Compared with the coupled techniques of NPLC-ESI-MS and NPLC-APCI-MS, NPLC-DART-MS showed advantages in increasing the ionization efficiency and reducing the in-source thermal fragmentation of analytes.\n
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\n \n\n \n \n \n \n \n \n Identification, extraction and quantification of the synthetic cannabinoid JWH-018 from commercially available herbal marijuana alternatives.\n \n \n \n \n\n\n \n Dunham, S. J.; Hooker, P. D.; and Hyde, R. M.\n\n\n \n\n\n\n Forensic science international, 223(1): 241–244. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"Identification,Paper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{dunham_identification_2012,\n\ttitle = {Identification, extraction and quantification of the synthetic cannabinoid {JWH}-018 from commercially available herbal marijuana alternatives},\n\tvolume = {223},\n\tissn = {0379-0738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073812004471?showall=true},\n\tabstract = {In this work, methods for the rapid identification, extraction, and quantification of the synthetic cannabinoid, JWH-018, from commercially available “Spice” (a herbal marijuana alternative) are presented. JWH-018 was identified in three different products using time-of-flight (TOF) mass spectrometry coupled with a direct analysis in real time (DART) ionization source, a process that was completed in less then five minutes and required no sample preparation. Extraction of the JWH-018 from the spice samples using an automated accelerated solvent extraction (ASE) instrument provided clean extracts with few plant pigments. Subsequent quantification by isocratic HPLC produced the following results (mg JWH-018/g plant material): Weekend Warrior brand “Hash”: 90 (±3\\%)mg/g, Weekend Warrior brand “Leaf”: 29 (±6\\%)mg/g, TrainWreck Hayze brand: 28 (±4\\%)mg/g. Vegetative samples spiked with JWH-018 gave a recovery of 97\\% (±1\\%).},\n\tnumber = {1},\n\tjournal = {Forensic science international},\n\tauthor = {Dunham, Sage J.B. and Hooker, Paul D. and Hyde, Robyn M.},\n\tmonth = nov,\n\tyear = {2012},\n\tkeywords = {Accelerated solvent extraction, DART–mass spectrometry, Herbal marijuana alternative, JWH-018, Spice, Synthetic marijuana},\n\tpages = {241--244},\n}\n\n\n\n
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\n In this work, methods for the rapid identification, extraction, and quantification of the synthetic cannabinoid, JWH-018, from commercially available “Spice” (a herbal marijuana alternative) are presented. JWH-018 was identified in three different products using time-of-flight (TOF) mass spectrometry coupled with a direct analysis in real time (DART) ionization source, a process that was completed in less then five minutes and required no sample preparation. Extraction of the JWH-018 from the spice samples using an automated accelerated solvent extraction (ASE) instrument provided clean extracts with few plant pigments. Subsequent quantification by isocratic HPLC produced the following results (mg JWH-018/g plant material): Weekend Warrior brand “Hash”: 90 (±3%)mg/g, Weekend Warrior brand “Leaf”: 29 (±6%)mg/g, TrainWreck Hayze brand: 28 (±4%)mg/g. Vegetative samples spiked with JWH-018 gave a recovery of 97% (±1%).\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry and multivariate data analysis: A novel approach to rapid identification of analytical markers for quality control of traditional Chinese medicine preparation.\n \n \n \n \n\n\n \n Zeng, S.; Wang, L.; Chen, T.; Wang, Y.; Mo, H.; and Qu, H.\n\n\n \n\n\n\n Analytica Chimica Acta, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zeng_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry and multivariate data analysis: {A} novel approach to rapid identification of analytical markers for quality control of traditional {Chinese} medicine preparation},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S000326701200596X},\n\tdoi = {10.1016/j.aca.2012.04.025},\n\tabstract = {The paper presents a novel strategy to identify analytical markers of traditional Chinese medicine preparation (TCMP) rapidly via direct analysis in real time mass spectrometry (DART-MS). A commonly used TCMP, Danshen injection, was employed as a model. The optimal analysis conditions were achieved by measuring the contribution of various experimental parameters to the mass spectra. Salvianolic acids and saccharides were simultaneously determined within a single 1-min DART-MS run. Furthermore, spectra of Danshen injections supplied by five manufacturers were processed with principal component analysis (PCA). Obvious clustering was observed in the PCA score plot, and candidate markers were recognized from the contribution plots of PCA. The suitability of potential markers was then confirmed by contrasting with the results of traditional analysis methods. Using this strategy, fructose, glucose, sucrose, protocatechuic aldehyde and salvianolic acid A were rapidly identified as the markers of Danshen injections. The combination of DART-MS with PCA provides a reliable approach to the identification of analytical markers for quality control of TCMP.},\n\tnumber = {0},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zeng, Shanshan and Wang, Lu and Chen, Teng and Wang, Yuefei and Mo, Huanbiao and Qu, Haibin},\n\tyear = {2012},\n\tkeywords = {Analytical marker, Direct analysis in real time, Principal component analysis, Traditional Chinese medicine preparation, mass spectrometry},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n The paper presents a novel strategy to identify analytical markers of traditional Chinese medicine preparation (TCMP) rapidly via direct analysis in real time mass spectrometry (DART-MS). A commonly used TCMP, Danshen injection, was employed as a model. The optimal analysis conditions were achieved by measuring the contribution of various experimental parameters to the mass spectra. Salvianolic acids and saccharides were simultaneously determined within a single 1-min DART-MS run. Furthermore, spectra of Danshen injections supplied by five manufacturers were processed with principal component analysis (PCA). Obvious clustering was observed in the PCA score plot, and candidate markers were recognized from the contribution plots of PCA. The suitability of potential markers was then confirmed by contrasting with the results of traditional analysis methods. Using this strategy, fructose, glucose, sucrose, protocatechuic aldehyde and salvianolic acid A were rapidly identified as the markers of Danshen injections. The combination of DART-MS with PCA provides a reliable approach to the identification of analytical markers for quality control of TCMP.\n
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\n \n\n \n \n \n \n \n The Principles and Applications of An Ambient Ionization Method–Direct Analysis in Real Time (DART).\n \n \n \n\n\n \n Zhang, J.; Huo, F.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Progress in Chemistry, 24(1): 101–109. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhang_principles_2012,\n\ttitle = {The {Principles} and {Applications} of {An} {Ambient} {Ionization} {Method}--{Direct} {Analysis} in {Real} {Time} ({DART})},\n\tvolume = {24},\n\tabstract = {The development of ionization approach has been focused on the ambient ionization methods in the past decade. DART was first reported by Cody and coworkers in 2005 and has been widely applied in the analysis of various samples including solids, liquids or gases. Helium or nitrogen is chosen as the working gas of DART. The working gas is activated by discharge needle and subsequently heated in the heating cell for the further sample ionization. The DART technology needs minimal or no sample pretreatmentand direct analysis can be carried out by holding sample in the localization between the outlet of DART and the entrance of mass spectrometer. This review presents the development, the ionization mechanism, and the major operation parameters of DART. And the applications in direct analysis of pheromones from live drosophila, screening of counterfeit drugs, identification of ingredient of inksand other samples are summarized. In the end, the technological limitations and development trends of DART are also discussed.},\n\tnumber = {1},\n\tjournal = {Progress in Chemistry},\n\tauthor = {Zhang, Jialing and Huo, Feifeng and Zhou, Zhigui and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {review},\n\tpages = {101--109},\n}\n\n\n\n
\n
\n\n\n
\n The development of ionization approach has been focused on the ambient ionization methods in the past decade. DART was first reported by Cody and coworkers in 2005 and has been widely applied in the analysis of various samples including solids, liquids or gases. Helium or nitrogen is chosen as the working gas of DART. The working gas is activated by discharge needle and subsequently heated in the heating cell for the further sample ionization. The DART technology needs minimal or no sample pretreatmentand direct analysis can be carried out by holding sample in the localization between the outlet of DART and the entrance of mass spectrometer. This review presents the development, the ionization mechanism, and the major operation parameters of DART. And the applications in direct analysis of pheromones from live drosophila, screening of counterfeit drugs, identification of ingredient of inksand other samples are summarized. In the end, the technological limitations and development trends of DART are also discussed.\n
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\n \n\n \n \n \n \n \n \n Preliminary evaluation of the persistence of organic gunshot residue.\n \n \n \n \n\n\n \n Arndt, J.; Bell, S.; Crookshanks, L.; Lovejoy, M.; Oleska, C.; Tulley, T.; and Wolfe, D.\n\n\n \n\n\n\n Forensic science international, 222(1): 137–145. October 2012.\n \n\n\n\n
\n\n\n\n \n \n \"PreliminaryPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{arndt_preliminary_2012,\n\ttitle = {Preliminary evaluation of the persistence of organic gunshot residue},\n\tvolume = {222},\n\tissn = {0379-0738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073812002198?showall=true},\n\tabstract = {The organic components of gunshot residue (OGSR, also called firearms discharge residue (FDR) or cartridge discharge residue (CDR)) have been studied and discussed in the literature. These residues, consisting of particulates such as burned and unburned powder as well as molecular compounds, are rarely used in casework except for purposes such as shooting reconstructions. Molecular compounds that survive the firing event or that are created as a result of the firing event could, with focused research and development, open a new avenue for forensic gunshot residue analysis. In this study, the persistence of organic gunshot residue was evaluated using diphenylamine (DPA) as a target analyte and ion mobility spectrometry (IMS) as the detection system. Samples were collected from hands using a solvent swabbing technique and the swab was analyzed using direct thermal desorption for sample introduction into the IMS. OGSR was found to persist for at least 4h. Although DPA is a widely used industrial compound, analysis of numerous blank and background samples (n∼100) did not show any significant response for DPA using this detector. Variations were noted among individuals and as such, the data set does not support estimation of a half-life as has been done for traditional primer residues. No secondary transfers were observed, suggesting the possibility of skin adhesion via interactions between the lipophilic organic compounds and skin lipids. IMS proved valuable as a means of generating patterns for forensic pattern matching and shows promise as a screening tool applied to firearms discharge.},\n\tnumber = {1},\n\tjournal = {Forensic science international},\n\tauthor = {Arndt, James and Bell, Suzanne and Crookshanks, Lindsey and Lovejoy, Marco and Oleska, Casey and Tulley, Tanya and Wolfe, Drew},\n\tmonth = oct,\n\tyear = {2012},\n\tkeywords = {Gunshot residue, Ion mobility spectrometry, Organic gunshot residue, Persistence, Secondary transfer},\n\tpages = {137--145},\n}\n\n\n\n
\n
\n\n\n
\n The organic components of gunshot residue (OGSR, also called firearms discharge residue (FDR) or cartridge discharge residue (CDR)) have been studied and discussed in the literature. These residues, consisting of particulates such as burned and unburned powder as well as molecular compounds, are rarely used in casework except for purposes such as shooting reconstructions. Molecular compounds that survive the firing event or that are created as a result of the firing event could, with focused research and development, open a new avenue for forensic gunshot residue analysis. In this study, the persistence of organic gunshot residue was evaluated using diphenylamine (DPA) as a target analyte and ion mobility spectrometry (IMS) as the detection system. Samples were collected from hands using a solvent swabbing technique and the swab was analyzed using direct thermal desorption for sample introduction into the IMS. OGSR was found to persist for at least 4h. Although DPA is a widely used industrial compound, analysis of numerous blank and background samples (n∼100) did not show any significant response for DPA using this detector. Variations were noted among individuals and as such, the data set does not support estimation of a half-life as has been done for traditional primer residues. No secondary transfers were observed, suggesting the possibility of skin adhesion via interactions between the lipophilic organic compounds and skin lipids. IMS proved valuable as a means of generating patterns for forensic pattern matching and shows promise as a screening tool applied to firearms discharge.\n
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\n \n\n \n \n \n \n \n Where is the next high? - Rapid identification of synthetic cannabinoids in \"Spice\" products.\n \n \n \n\n\n \n Huang, L.; Veltri, M.; Cody, R. B.; Dane, A. J.; Rivera, A.; Marino, M. A.; and Kim, W. J.\n\n\n \n\n\n\n Forensic Science International, submitted. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{huang_where_2012,\n\ttitle = {Where is the next high? - {Rapid} identification of synthetic cannabinoids in "{Spice}" products},\n\tvolume = {submitted},\n\tjournal = {Forensic Science International},\n\tauthor = {Huang, Ling and Veltri, Mercurio and Cody, Robert B. and Dane, A. John and Rivera, Amanda and Marino, Michael A. and Kim, Woen J.},\n\tyear = {2012},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Application of Direct Analysis in Real Time Mass Spectrometry (DART-MS) for Identification of an Epiphytic Cyanobacterium, Nostoc Sp.\n \n \n \n \n\n\n \n Singh, S.; and Verma, S. K.\n\n\n \n\n\n\n Analytical Letters, 45(17): 2562–2568. May 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{singh_application_2012,\n\ttitle = {Application of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) for {Identification} of an {Epiphytic} {Cyanobacterium}, {Nostoc} {Sp}.},\n\tvolume = {45},\n\tissn = {0003-2719},\n\turl = {http://dx.doi.org/10.1080/00032719.2012.694940},\n\tdoi = {10.1080/00032719.2012.694940},\n\tabstract = {Cyanobacteria, a diverse group of bacteria are identified entirely on the basis of morphological characters, which can frequently lead to incorrect results; therefore, the present study reports a new approach for identification of an organism based on DART technique. Direct Analysis in Real Time Mass Spectrometry (DART-MS) was used to identify a cyanobacterium, isolated from the leaf surface, on the basis of characteristic chemical compounds present in the strain. A chemical fingerprint was generated and peaks obtained were found to be similar to the masses of the compounds reported for Nostoc sp.},\n\tnumber = {17},\n\turldate = {2012-11-28},\n\tjournal = {Analytical Letters},\n\tauthor = {Singh, Shachi and Verma, S. K.},\n\tmonth = may,\n\tyear = {2012},\n\tpages = {2562--2568},\n}\n\n\n\n
\n
\n\n\n
\n Cyanobacteria, a diverse group of bacteria are identified entirely on the basis of morphological characters, which can frequently lead to incorrect results; therefore, the present study reports a new approach for identification of an organism based on DART technique. Direct Analysis in Real Time Mass Spectrometry (DART-MS) was used to identify a cyanobacterium, isolated from the leaf surface, on the basis of characteristic chemical compounds present in the strain. A chemical fingerprint was generated and peaks obtained were found to be similar to the masses of the compounds reported for Nostoc sp.\n
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\n \n\n \n \n \n \n \n \n Biomarkers of Whale Shark Health: A Metabolomic Approach.\n \n \n \n \n\n\n \n Dove, A. D. M.; Leisen, J.; Zhou, M.; Byrne, J. J.; Lim-Hing, K.; Webb, H. D.; Gelbaum, L.; Viant, M. R.; Kubanek, J.; and Fernández, F. M.\n\n\n \n\n\n\n PLoS ONE, 7(11): e49379. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"BiomarkersPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{dove_biomarkers_2012,\n\ttitle = {Biomarkers of {Whale} {Shark} {Health}: {A} {Metabolomic} {Approach}},\n\tvolume = {7},\n\turl = {http://dx.doi.org/10.1371%2Fjournal.pone.0049379},\n\tdoi = {10.1371/journal.pone.0049379},\n\tabstract = {In a search for biomarkers of health in whale sharks and as exploration of metabolomics as a modern tool for understanding animal physiology, the metabolite composition of serum in six whale sharks (Rhincodon typus) from an aquarium collection was explored using 1H nuclear magnetic resonance (NMR) spectroscopy and direct analysis in real time (DART) mass spectrometry (MS). Principal components analysis (PCA) of spectral data showed that individual animals could be resolved based on the metabolite composition of their serum and that two unhealthy individuals could be discriminated from the remaining healthy animals. The major difference between healthy and unhealthy individuals was the concentration of homarine, here reported for the first time in an elasmobranch, which was present at substantially lower concentrations in unhealthy whale sharks, suggesting that this metabolite may be a useful biomarker of health status in this species. The function(s) of homarine in sharks remain uncertain but it likely plays a significant role as an osmolyte. The presence of trimethylamine oxide (TMAO), another well-known protective osmolyte of elasmobranchs, at 0.1–0.3 mol L−1 was also confirmed using both NMR and MS. Twenty-three additional potential biomarkers were identified based on significant differences in the frequency of their occurrence between samples from healthy and unhealthy animals, as detected by DART MS. Overall, NMR and MS provided complementary data that showed that metabolomics is a useful approach for biomarker prospecting in poorly studied species like elasmobranchs.},\n\tnumber = {11},\n\tjournal = {PLoS ONE},\n\tauthor = {Dove, Alistair D. M. and Leisen, Johannes and Zhou, Manshui and Byrne, Jonathan J. and Lim-Hing, Krista and Webb, Harry D. and Gelbaum, Leslie and Viant, Mark R. and Kubanek, Julia and Fernández, Facundo M.},\n\tmonth = nov,\n\tyear = {2012},\n\tpages = {e49379},\n}\n\n\n\n
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\n In a search for biomarkers of health in whale sharks and as exploration of metabolomics as a modern tool for understanding animal physiology, the metabolite composition of serum in six whale sharks (Rhincodon typus) from an aquarium collection was explored using 1H nuclear magnetic resonance (NMR) spectroscopy and direct analysis in real time (DART) mass spectrometry (MS). Principal components analysis (PCA) of spectral data showed that individual animals could be resolved based on the metabolite composition of their serum and that two unhealthy individuals could be discriminated from the remaining healthy animals. The major difference between healthy and unhealthy individuals was the concentration of homarine, here reported for the first time in an elasmobranch, which was present at substantially lower concentrations in unhealthy whale sharks, suggesting that this metabolite may be a useful biomarker of health status in this species. The function(s) of homarine in sharks remain uncertain but it likely plays a significant role as an osmolyte. The presence of trimethylamine oxide (TMAO), another well-known protective osmolyte of elasmobranchs, at 0.1–0.3 mol L−1 was also confirmed using both NMR and MS. Twenty-three additional potential biomarkers were identified based on significant differences in the frequency of their occurrence between samples from healthy and unhealthy animals, as detected by DART MS. Overall, NMR and MS provided complementary data that showed that metabolomics is a useful approach for biomarker prospecting in poorly studied species like elasmobranchs.\n
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\n \n\n \n \n \n \n \n \n Argon Direct Analysis in Real Time (Ar-DART) Mass Spectrometry in Conjunction with Make-Up Solvents: A Novel Method for Analysis of Labile Compounds.\n \n \n \n \n\n\n \n Yang, H.; Wan, D.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytical Chemistry. December 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ArgonPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{yang_argon_2012,\n\ttitle = {Argon {Direct} {Analysis} in {Real} {Time} ({Ar}-{DART}) {Mass} {Spectrometry} in {Conjunction} with {Make}-{Up} {Solvents}: {A} {Novel} {Method} for {Analysis} of {Labile} {Compounds}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3026543},\n\tdoi = {10.1021/ac3026543},\n\tabstract = {Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with make-up solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a make-up solvent (absolute ethyl alcohol, methanol, fluorobenzene or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.},\n\turldate = {2013-01-04},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Yang, Hongmei and Wan, Debin and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tmonth = dec,\n\tyear = {2012},\n}\n\n\n\n
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\n Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with make-up solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a make-up solvent (absolute ethyl alcohol, methanol, fluorobenzene or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry combined with single-drop liquid–liquid–liquid microextraction for the rapid analysis of multiple phytohormones in fruit juice.\n \n \n \n \n\n\n \n Bai, Y.; Zhang, J.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–8. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{bai_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry combined with single-drop liquid–liquid–liquid microextraction for the rapid analysis of multiple phytohormones in fruit juice},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5728-x},\n\tdoi = {10.1007/s00216-012-5728-x},\n\tabstract = {A rapid, simple, and efficient method for the fast determination of multiple phytohormones was developed in this work, based on single-drop liquid–liquid–liquid microextraction (SD-LLLME) combined with direct analysis in real-time mass spectrometry (DART-MS). Six phytohormones—indole-3-acetic acid (IAA), indole-3-butyric acid (IBA), jasmonic acid (JA), salicylic acid (SA), abscisic acid (ABA), and gibberellin A 3 (GA 3 )—were analyzed simultaneously using this method, and the conditions employed for DART-MS and SD-LLLME were optimized systematically. Satisfactory results were obtained in terms of linearity ( R 2 values for all phytohormones were 0.991–0.996), sensitivity (limits of detection were 0.65–72 ng/mL), and repeatability (RSD values were 6.9–14\\%). In addition, the proposed method was applied to determine the endogenous phytohormones in three kinds of fruit juice. Different concentrations of phytohormones were detected with satisfactory recoveries, and the whole analytical procedure took no more than 30 min. Therefore, this combination of SD-LLLME and DART-MS was shown to be a suitable and effective approach for the fast analysis of targets present at trace level concentrations in complex matrices.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Bai, Yu and Zhang, Jialing and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {Chemistry and Materials Science},\n\tpages = {1--8},\n}\n\n\n\n
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\n A rapid, simple, and efficient method for the fast determination of multiple phytohormones was developed in this work, based on single-drop liquid–liquid–liquid microextraction (SD-LLLME) combined with direct analysis in real-time mass spectrometry (DART-MS). Six phytohormones—indole-3-acetic acid (IAA), indole-3-butyric acid (IBA), jasmonic acid (JA), salicylic acid (SA), abscisic acid (ABA), and gibberellin A 3 (GA 3 )—were analyzed simultaneously using this method, and the conditions employed for DART-MS and SD-LLLME were optimized systematically. Satisfactory results were obtained in terms of linearity ( R 2 values for all phytohormones were 0.991–0.996), sensitivity (limits of detection were 0.65–72 ng/mL), and repeatability (RSD values were 6.9–14%). In addition, the proposed method was applied to determine the endogenous phytohormones in three kinds of fruit juice. Different concentrations of phytohormones were detected with satisfactory recoveries, and the whole analytical procedure took no more than 30 min. Therefore, this combination of SD-LLLME and DART-MS was shown to be a suitable and effective approach for the fast analysis of targets present at trace level concentrations in complex matrices.\n
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\n \n\n \n \n \n \n \n \n Estimation of camptothecin and pharmacological evaluation of Ophiorrhiza prostrata D. Don and Ophiorrhiza mungos L.\n \n \n \n \n\n\n \n Krishnakumar, G; Rameshkumar, K.; Srinivas, P.; Satheeshkumar, K; and Krishnan, P.\n\n\n \n\n\n\n Asian Pacific Journal of Tropical Biomedicine, 2(2, Supplement): S727–S731. February 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EstimationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{krishnakumar_estimation_2012,\n\ttitle = {Estimation of camptothecin and pharmacological evaluation of {Ophiorrhiza} prostrata {D}. {Don} and {Ophiorrhiza} mungos {L}.},\n\tvolume = {2},\n\tissn = {2221-1691},\n\turl = {http://www.sciencedirect.com/science/article/pii/S2221169112603049},\n\tdoi = {10.1016/S2221-1691(12)60304-9},\n\tabstract = {Objective \nTo carry out the qualitative and quantitative evaluation of camptothecin, estimation of total phenolic compounds and evaluation of in vitro antioxidant activity and cytotoxic activity of Ophiorrhiza prostrata and Ophiorrhiza mungos. \nMethods \nDirect Analysis in Real Time- Mass Spectrometry (DART-MS) was employed for the detection of camptothecin in the Ophiorrhiza species, while high performance thin layer chromatography (HPTLC) was used for the estimation of camptothecin. Total phenolic compounds were estimated by modified Folins-Ciocalteu's reagent method. Antioxidant activity was evaluated through DPPH radical, hydroxyl radical, superoxide radical scavenging assays and reducing power assay. The cytotoxicity evaluation was performed using MTT assay on MCF-7 cell lines. \nResults \nThe presence of camptothecin was confirmed in both the species by the [M++H] peak at 349 by DART-MS analysis. Camptothecin content was estimated as 1.47 μg/gm (dry wt) in O. prostrata and 188.60 μg/gm (dry wt) in O. mungos using HPTLC method. The moderate in vitro antioxidant activities of the methanol extracts corroborates with the low content of phenolic compounds in O. prostrata (9.88 GAE mg/g) and O. mungos (12.73 GAE mg/g). The methanol extract of O. prostrata exhibited remarkable cytotoxicity on human breast cancer cell lines (MCF-7), with IC50 value 1.10μg/mL compared to O. mungos (3.48μg/mL) and standard camptothecin (3.51μg/mL). \nConclusions \nThe application of DART-MS proved to be a simple and rapid technique for the detection of camptothecin in Ophiorrhiza species. The higher cytotoxicity for O. prostrata, despite the low content of camptothecin suggests the presence of other potential cytotoxic compounds in O. prostrata.},\n\tnumber = {2, Supplement},\n\tjournal = {Asian Pacific Journal of Tropical Biomedicine},\n\tauthor = {Krishnakumar, G and Rameshkumar, KB and Srinivas, Priya and Satheeshkumar, K and Krishnan, PN},\n\tmonth = feb,\n\tyear = {2012},\n\tkeywords = {Antioxidant activity, Camptothecin, Cytotoxicity, DART-MS analysis, HPTLC estimation, Ophiorrhiza mungos, Ophiorrhiza prostrata},\n\tpages = {S727--S731},\n}\n\n\n\n
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\n Objective To carry out the qualitative and quantitative evaluation of camptothecin, estimation of total phenolic compounds and evaluation of in vitro antioxidant activity and cytotoxic activity of Ophiorrhiza prostrata and Ophiorrhiza mungos. Methods Direct Analysis in Real Time- Mass Spectrometry (DART-MS) was employed for the detection of camptothecin in the Ophiorrhiza species, while high performance thin layer chromatography (HPTLC) was used for the estimation of camptothecin. Total phenolic compounds were estimated by modified Folins-Ciocalteu's reagent method. Antioxidant activity was evaluated through DPPH radical, hydroxyl radical, superoxide radical scavenging assays and reducing power assay. The cytotoxicity evaluation was performed using MTT assay on MCF-7 cell lines. Results The presence of camptothecin was confirmed in both the species by the [M++H] peak at 349 by DART-MS analysis. Camptothecin content was estimated as 1.47 μg/gm (dry wt) in O. prostrata and 188.60 μg/gm (dry wt) in O. mungos using HPTLC method. The moderate in vitro antioxidant activities of the methanol extracts corroborates with the low content of phenolic compounds in O. prostrata (9.88 GAE mg/g) and O. mungos (12.73 GAE mg/g). The methanol extract of O. prostrata exhibited remarkable cytotoxicity on human breast cancer cell lines (MCF-7), with IC50 value 1.10μg/mL compared to O. mungos (3.48μg/mL) and standard camptothecin (3.51μg/mL). Conclusions The application of DART-MS proved to be a simple and rapid technique for the detection of camptothecin in Ophiorrhiza species. The higher cytotoxicity for O. prostrata, despite the low content of camptothecin suggests the presence of other potential cytotoxic compounds in O. prostrata.\n
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\n \n\n \n \n \n \n \n \n Rapid quality assessment of Radix Aconiti Preparata using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Zhu, H.; Wang, C.; Qi, Y.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytica Chimica Acta, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zhu_rapid_2012,\n\ttitle = {Rapid quality assessment of {Radix} {Aconiti} {Preparata} using direct analysis in real time ({DART}) mass spectrometry},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267012013451?v=s5},\n\tdoi = {10.1016/j.aca.2012.09.018},\n\tabstract = {This study presents a novel and rapid method to identify chemical markers for the quality control of Radix Aconiti Preparata, a world widely used traditional herbal medicine. In the method, the samples with a fast extraction procedure were analyzed using direct analysis in real time mass spectrometry (DART MS) combined with multivariate data analysis. At present, the quality assessment approach of Radix Aconiti Preparata was based on the two processing methods recorded in Chinese Pharmacopoeia for the purpose of reducing the toxicity of Radix Aconiti and ensuring its clinical therapeutic efficacy. In order to ensure the safety and effectivity in clinical use, the processing degree of Radix Aconiti should be well controlled and assessed. In the paper, hierarchical cluster analysis and principal component analysis were performed to evaluate the DART MS data of Radix Aconiti Preparata samples in different processing times. The results showed that the well processed Radix Aconiti Preparata, unqualified processed and the raw Radix Aconiti could be clustered reasonably corresponding to their constituents. The loading plot shows that the main chemical markers having the most influence on the discrimination amongst the qualified and unqualified samples were mainly some monoester diterpenoid aconitines and diester diterpenoid aconitines, i.e. benzoylmesaconine, hypaconitine, mesaconitine, neoline, benzoylhypaconine, benzoylaconine, fuziline, aconitine and 10-OH-mesaconitine. The established DART MS approach in combination with multivariate data analysis provides a very flexible and reliable method for quality assessment of toxic herbal medicine.},\n\tnumber = {0},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zhu, Hongbin and Wang, Chunyan and Qi, Yao and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tyear = {2012},\n\tkeywords = {Direct analysis in real time, Hierarchical clustering analysis, Principal component analysis, Radix Aconiti, Radix Aconiti Preparata},\n}\n\n\n\n
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\n This study presents a novel and rapid method to identify chemical markers for the quality control of Radix Aconiti Preparata, a world widely used traditional herbal medicine. In the method, the samples with a fast extraction procedure were analyzed using direct analysis in real time mass spectrometry (DART MS) combined with multivariate data analysis. At present, the quality assessment approach of Radix Aconiti Preparata was based on the two processing methods recorded in Chinese Pharmacopoeia for the purpose of reducing the toxicity of Radix Aconiti and ensuring its clinical therapeutic efficacy. In order to ensure the safety and effectivity in clinical use, the processing degree of Radix Aconiti should be well controlled and assessed. In the paper, hierarchical cluster analysis and principal component analysis were performed to evaluate the DART MS data of Radix Aconiti Preparata samples in different processing times. The results showed that the well processed Radix Aconiti Preparata, unqualified processed and the raw Radix Aconiti could be clustered reasonably corresponding to their constituents. The loading plot shows that the main chemical markers having the most influence on the discrimination amongst the qualified and unqualified samples were mainly some monoester diterpenoid aconitines and diester diterpenoid aconitines, i.e. benzoylmesaconine, hypaconitine, mesaconitine, neoline, benzoylhypaconine, benzoylaconine, fuziline, aconitine and 10-OH-mesaconitine. The established DART MS approach in combination with multivariate data analysis provides a very flexible and reliable method for quality assessment of toxic herbal medicine.\n
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\n \n\n \n \n \n \n \n \n Optimization of direct analysis in real time (DART) linear ion trap parameters for the detection and quantitation of glucose.\n \n \n \n \n\n\n \n Saang'onyo, D. S.; and Smith, D. L.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(3): 385–391. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{saangonyo_optimization_2012,\n\ttitle = {Optimization of direct analysis in real time ({DART}) linear ion trap parameters for the detection and quantitation of glucose},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5316},\n\tdoi = {10.1002/rcm.5316},\n\tabstract = {Presented here are findings for the development and optimization of a simple, high-throughput, and rapid method for the analysis of glucose. Because the applications of glucose and other six-carbon sugars is a growing field of interest especially in the production of biofuels, an efficient and rapid method for their quantitation from lignocelluloses is necessary. Glucose was analyzed using direct analysis in real time (DART) ionization and formed adducts (along with fragmentation) were observed with a linear ion trap (LIT) mass spectrometer. Since DART can be considered a complex thermal desorption ionization process, an optimization study of the helium gas temperature and introduction into the ionization region was performed. It was observed these parameters have a significant effect on the overall signal intensity as well as the signal-to-noise ratios in DART mass spectra. Using these optimized parameters, a set of different glucose concentrations (ranging from 10 to 3000 μM) were analyzed and used to determine a linear dynamic range (with the use of an internal standard). The analysis of the samples was done with minimal sample preparation and found to be reproducible on different days. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Saang'onyo, Daudi S. and Smith, Darrin L.},\n\tyear = {2012},\n\tkeywords = {Ion trap},\n\tpages = {385--391},\n}\n\n\n\n
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\n Presented here are findings for the development and optimization of a simple, high-throughput, and rapid method for the analysis of glucose. Because the applications of glucose and other six-carbon sugars is a growing field of interest especially in the production of biofuels, an efficient and rapid method for their quantitation from lignocelluloses is necessary. Glucose was analyzed using direct analysis in real time (DART) ionization and formed adducts (along with fragmentation) were observed with a linear ion trap (LIT) mass spectrometer. Since DART can be considered a complex thermal desorption ionization process, an optimization study of the helium gas temperature and introduction into the ionization region was performed. It was observed these parameters have a significant effect on the overall signal intensity as well as the signal-to-noise ratios in DART mass spectra. Using these optimized parameters, a set of different glucose concentrations (ranging from 10 to 3000 μM) were analyzed and used to determine a linear dynamic range (with the use of an internal standard). The analysis of the samples was done with minimal sample preparation and found to be reproducible on different days. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry for the rapid identification of four highly hazardous pesticides in agrochemicals.\n \n \n \n \n\n\n \n Wang, L.; Zhao, P.; Zhang, F.; Li, Y.; and Pan, C.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(16): 1859–1867. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{wang_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry for the rapid identification of four highly hazardous pesticides in agrochemicals},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6274},\n\tdoi = {10.1002/rcm.6274},\n\tabstract = {RATIONALE\nDirect analysis in real time (DART) is a new ion source technique, which is conducted in the open air under ambient conditions, applied to the rapid and direct analysis of any material (gases, liquids, and solids) with minimal or no sample preparation. In order to take advantage of the capacity of DART mass spectrometry for the real-time analysis of hazardous ingredients in commercial agrochemicals, a pilot study of rapid qualitative determination of hazardous pesticides was performed. \nMETHODS\nHighly hazardous pesticides were identified by DART ionization coupled to a single-quadrupole mass spectrometer (DART-MS). Acetonitrile was chosen for dissolving samples prior to the analysis. Samples were analyzed by this technique in as little as 5 s. \nRESULTS\nPhorate, carbofuran, ethoprophos and fipronil were be detected directly from commercial agrochemicals. The ionization-related parameters (DART temperature, grid voltage and MS fragment) of these compounds were optimized to obtain highly response. Isotope patterns were taken into consideration for qualitative identification. Relative standard deviations (RSDs, n = 5) of 2.3–15.0\\% were obtained by measuring the relative abundance of selected isotopes. \nCONCLUSIONS\nThis study showed that DART-MS technology was able to qualitatively determine the existence of highly hazardous pesticides in commercial pesticide formulations. It is suggested that this technology should be applied for routine monitoring in the market. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {16},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Wang, Lei and Zhao, Pengyue and Zhang, Fengzu and Li, Yanjie and Pan, Canping},\n\tyear = {2012},\n\tpages = {1859--1867},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n RATIONALE Direct analysis in real time (DART) is a new ion source technique, which is conducted in the open air under ambient conditions, applied to the rapid and direct analysis of any material (gases, liquids, and solids) with minimal or no sample preparation. In order to take advantage of the capacity of DART mass spectrometry for the real-time analysis of hazardous ingredients in commercial agrochemicals, a pilot study of rapid qualitative determination of hazardous pesticides was performed. METHODS Highly hazardous pesticides were identified by DART ionization coupled to a single-quadrupole mass spectrometer (DART-MS). Acetonitrile was chosen for dissolving samples prior to the analysis. Samples were analyzed by this technique in as little as 5 s. RESULTS Phorate, carbofuran, ethoprophos and fipronil were be detected directly from commercial agrochemicals. The ionization-related parameters (DART temperature, grid voltage and MS fragment) of these compounds were optimized to obtain highly response. Isotope patterns were taken into consideration for qualitative identification. Relative standard deviations (RSDs, n = 5) of 2.3–15.0% were obtained by measuring the relative abundance of selected isotopes. CONCLUSIONS This study showed that DART-MS technology was able to qualitatively determine the existence of highly hazardous pesticides in commercial pesticide formulations. It is suggested that this technology should be applied for routine monitoring in the market. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Analysis of isoflavones in soybeans employing direct analysis in real-time ionization–high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Lojza, J.; Cajka, T.; Schulzova, V.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Separation Science, 35(3): 476–481. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{lojza_analysis_2012,\n\ttitle = {Analysis of isoflavones in soybeans employing direct analysis in real-time ionization–high-resolution mass spectrometry},\n\tvolume = {35},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.201100882},\n\tdoi = {10.1002/jssc.201100882},\n\tabstract = {A direct analysis in real-time (DART) ion source coupled to a high-resolution orbitrap mass spectrometer was used for the quantitative analysis of isoflavones isolated from soybeans. For the isolation of genistein, daidzein, glycitein, and their respective acetyl, malonyl, and glucoside forms, an extraction employing 80\\% aqueous MeOH enhanced by sonication was used. As far as the total isoflavones (expressed as aglycones) were to be determined, an acid hydrolysis with 80\\% aqueous EtOH and refluxing had to be employed, while in the latter case a good agreement of the results with the data generated by the UHPLC-orbitrap MS method was achieved, in the case of the analysis of non-hydrolyzed extracts, some overestimation of the results as compared with those generated by UHPLC-orbitrap MS was observed. A careful investigation of this phenomenon showed that the free aglycones originated from the conjugated forms of isoflavones in the DART ion source, thus contributing significantly to the “free” genistein/daidzein/glycitein signals during the DART analysis. Good recoveries (95–102\\%) and repeatabilities (RSD: 7–15\\%) were obtained at the spiking levels of 0.5, 1, and 0.05 g/kg, for daidzein, genistein, and glycitein, respectively. The limits of detection estimated for the respective analytes were 5 mg/kg.},\n\tnumber = {3},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Lojza, Jaromir and Cajka, Tomas and Schulzova, Vera and Riddellova, Katerina and Hajslova, Jana},\n\tyear = {2012},\n\tkeywords = {Ambient mass spectrometry, Ambient mass spectrometry; Direct analysis in real time; Isoflavones; Phytoestrogens; Soybean; orbitrap, Direct analysis in real time, Isoflavones, Phytoestrogens, Soybean},\n\tpages = {476--481},\n}\n\n\n\n
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\n A direct analysis in real-time (DART) ion source coupled to a high-resolution orbitrap mass spectrometer was used for the quantitative analysis of isoflavones isolated from soybeans. For the isolation of genistein, daidzein, glycitein, and their respective acetyl, malonyl, and glucoside forms, an extraction employing 80% aqueous MeOH enhanced by sonication was used. As far as the total isoflavones (expressed as aglycones) were to be determined, an acid hydrolysis with 80% aqueous EtOH and refluxing had to be employed, while in the latter case a good agreement of the results with the data generated by the UHPLC-orbitrap MS method was achieved, in the case of the analysis of non-hydrolyzed extracts, some overestimation of the results as compared with those generated by UHPLC-orbitrap MS was observed. A careful investigation of this phenomenon showed that the free aglycones originated from the conjugated forms of isoflavones in the DART ion source, thus contributing significantly to the “free” genistein/daidzein/glycitein signals during the DART analysis. Good recoveries (95–102%) and repeatabilities (RSD: 7–15%) were obtained at the spiking levels of 0.5, 1, and 0.05 g/kg, for daidzein, genistein, and glycitein, respectively. The limits of detection estimated for the respective analytes were 5 mg/kg.\n
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\n \n\n \n \n \n \n \n Confined direct analysis in real time ion source and its applications in analysis of volatile organic compounds of Citrus limon (lemon) and Allium cepa (onion).\n \n \n \n\n\n \n Li, Y.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(10): 1194–1202. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{li_confined_2012,\n\ttitle = {Confined direct analysis in real time ion source and its applications in analysis of volatile organic compounds of {Citrus} limon (lemon) and {Allium} cepa (onion)},\n\tvolume = {26},\n\tdoi = {10.1002/rcm.6217},\n\tabstract = {The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique that enables efficient ionization of gases, liquids and solids with high throughput. A major limit to its wider application in the analysis of gases is its poor detection sensitivity caused by open-air sampling. In this study, a confined interface between the DART ion source outlet and mass spectrometer sampling orifice was developed, where the plasma generated by the atmospheric pressure glow discharge collides and ionizes gas-phase molecules in a Tee-shaped flow tube instead of in open air. It leads to significant increase of collision reaction probability between high energy metastable molecules and analytes. The experimental results show that the ionization efficiency was increased at least by two orders of magnitude. This technique was then applied in the real time analysis of volatile organic compounds (VOCs) of Citrus Limon (lemon) and wounded Allium Cepa (onion). The confined DART ion source was proved to be a powerful tool for the studies of plant metabolomics.},\n\tnumber = {10},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Li, Y.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1194--1202},\n}\n\n\n\n
\n
\n\n\n
\n The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique that enables efficient ionization of gases, liquids and solids with high throughput. A major limit to its wider application in the analysis of gases is its poor detection sensitivity caused by open-air sampling. In this study, a confined interface between the DART ion source outlet and mass spectrometer sampling orifice was developed, where the plasma generated by the atmospheric pressure glow discharge collides and ionizes gas-phase molecules in a Tee-shaped flow tube instead of in open air. It leads to significant increase of collision reaction probability between high energy metastable molecules and analytes. The experimental results show that the ionization efficiency was increased at least by two orders of magnitude. This technique was then applied in the real time analysis of volatile organic compounds (VOCs) of Citrus Limon (lemon) and wounded Allium Cepa (onion). The confined DART ion source was proved to be a powerful tool for the studies of plant metabolomics.\n
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\n \n\n \n \n \n \n \n \n Qualitative screening for adulterants in weight-loss supplements by ion mobility spectrometry.\n \n \n \n \n\n\n \n Dunn, J. D.; Gryniewicz-Ruzicka, C. M.; Mans, D. J.; Mecker-Pogue, L. C.; Kauffman, J. F.; Westenberger, B. J.; and Buhse, L. F.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 71(0): 18–26. December 2012.\n \n\n\n\n
\n\n\n\n \n \n \"QualitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{dunn_qualitative_2012,\n\ttitle = {Qualitative screening for adulterants in weight-loss supplements by ion mobility spectrometry},\n\tvolume = {71},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708512004268},\n\tdoi = {10.1016/j.jpba.2012.07.020},\n\tabstract = {Ion mobility spectrometry (IMS) served as a rapid, qualitative screening tool for the analysis of adulterated weight-loss products. We have previously shown that sibutramine extracted into methanol from dietary supplements can be detected at low levels (2 ng) using a portable IMS spectrometer, and have adapted a similar method for the analysis of additional weight-loss product adulterants. An FDA collaborative study helped to define the limits for fluoxetine with a limit of detection of 2 ng. We also evaluated more readily available, less toxic extraction solvents and found isopropanol and water were comparable to methanol. Isopropanol was favored over water for two reasons: (1) water increases the analysis time and (2) aqueous solutions were more susceptible to pH change, which affected the detection of sibutramine. In addition to sibutamine and fluoxetine, we surveyed 11 weight-loss adulterants; bumetanide, fenfluramine, furosemide, orlistat, phenolphthalein, phentermine, phenytoin, rimonabant, sertraline and two sibutramine analogs, desmethylsibutramine and didesmethylsibutramine, using portable and benchtop ion mobility spectrometers. Out of these 13 active pharmaceutical ingredients (APIs), portable and benchtop ion mobility spectrometers were capable of screening products for 10 of these APIs. The developed procedure was applied to two weight-loss dietary supplements using both portable and benchtop instruments. One product contained didesmethylsibutramine while the other contained didesmethylsibutramine and phenolphthalein.},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Dunn, Jamie D. and Gryniewicz-Ruzicka, Connie M. and Mans, Daniel J. and Mecker-Pogue, Laura C. and Kauffman, John F. and Westenberger, Benjamin J. and Buhse, Lucinda F.},\n\tmonth = dec,\n\tyear = {2012},\n\tkeywords = {Hand-held, Herbal dietary supplements, Ion mobility spectrometry, Portable, Weight-loss drugs},\n\tpages = {18--26},\n}\n\n\n\n
\n
\n\n\n
\n Ion mobility spectrometry (IMS) served as a rapid, qualitative screening tool for the analysis of adulterated weight-loss products. We have previously shown that sibutramine extracted into methanol from dietary supplements can be detected at low levels (2 ng) using a portable IMS spectrometer, and have adapted a similar method for the analysis of additional weight-loss product adulterants. An FDA collaborative study helped to define the limits for fluoxetine with a limit of detection of 2 ng. We also evaluated more readily available, less toxic extraction solvents and found isopropanol and water were comparable to methanol. Isopropanol was favored over water for two reasons: (1) water increases the analysis time and (2) aqueous solutions were more susceptible to pH change, which affected the detection of sibutramine. In addition to sibutamine and fluoxetine, we surveyed 11 weight-loss adulterants; bumetanide, fenfluramine, furosemide, orlistat, phenolphthalein, phentermine, phenytoin, rimonabant, sertraline and two sibutramine analogs, desmethylsibutramine and didesmethylsibutramine, using portable and benchtop ion mobility spectrometers. Out of these 13 active pharmaceutical ingredients (APIs), portable and benchtop ion mobility spectrometers were capable of screening products for 10 of these APIs. The developed procedure was applied to two weight-loss dietary supplements using both portable and benchtop instruments. One product contained didesmethylsibutramine while the other contained didesmethylsibutramine and phenolphthalein.\n
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\n \n\n \n \n \n \n \n \n Chemometric Classification of Morphologically Similar Umbelliferae Medicinal Herbs by DART-TOF-MS Fingerprint.\n \n \n \n \n\n\n \n Lee, S. M.; Kim, H.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,n/a. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ChemometricPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{lee_chemometric_2012,\n\ttitle = {Chemometric {Classification} of {Morphologically} {Similar} {Umbelliferae} {Medicinal} {Herbs} by {DART}-{TOF}-{MS} {Fingerprint}},\n\tissn = {1099-1565},\n\turl = {http://dx.doi.org/10.1002/pca.2348},\n\tdoi = {10.1002/pca.2348},\n\tabstract = {Introduction\nIt needs many years of special training to gain expertise on the organoleptic classification of botanical raw materials and, even for those experts, discrimination among Umbelliferae medicinal herbs remains an intricate challenge due to their morphological similarity. \nObjective\nTo develop a new chemometric classification method using a direct analysis in real time–time of flight–mass spectrometry (DART-TOF-MS) fingerprinting for Umbelliferae medicinal herbs and to provide a platform for its application to the discrimination of other herbal medicines. \nMethodology\nAngelica tenuissima, Angelica gigas, Angelica dahurica and Cnidium officinale were chosen for this study and ten samples of each species were purchased from various Korean markets. DART-TOF-MS was employed on powdered raw materials to obtain a chemical fingerprint of each sample and the orthogonal partial-least squares method in discriminant analysis (OPLS-DA) was used for multivariate analysis. \nResults\nAll samples of collected species were successfully discriminated from each other according to their characteristic DART-TOF-MS fingerprint. Decursin (or decursinol angelate) and byakangelicol were identified as marker molecules for Angelica gigas and A. dahurica, respectively. Using the OPLS method for discriminant analysis, Angelica tenuissima and Cnidium officinale were clearly separated into two groups. Angelica tenuissima was characterised by the presence of ligustilide and unidentified molecular ions of m/z 239 and 283, while senkyunolide A together with signals with m/z 387 and 389 were the marker compounds for Cnidium officinale. \nConclusion\nElaborating with chemoinformatics, DART-TOF-MS fingerprinting with chemoinformatic tools results in a powerful method for the classification of morphologically similar Umbelliferae medicinal herbs and quality control of medicinal herbal products, including the extracts of these crude drugs. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Lee, Sang Min and Kim, Hye-Jin and Jang, Young Pyo},\n\tyear = {2012},\n\tkeywords = {DART-TOF-MS, DART-TOF-MS; multivariate analysis; OPLS-DA; metabolomics; Umbelliferae; AccuTOF, OPLS-DA, Umbelliferae, metabolomics, multivariate analysis},\n\tpages = {n/a},\n}\n\n\n\n
\n
\n\n\n
\n Introduction It needs many years of special training to gain expertise on the organoleptic classification of botanical raw materials and, even for those experts, discrimination among Umbelliferae medicinal herbs remains an intricate challenge due to their morphological similarity. Objective To develop a new chemometric classification method using a direct analysis in real time–time of flight–mass spectrometry (DART-TOF-MS) fingerprinting for Umbelliferae medicinal herbs and to provide a platform for its application to the discrimination of other herbal medicines. Methodology Angelica tenuissima, Angelica gigas, Angelica dahurica and Cnidium officinale were chosen for this study and ten samples of each species were purchased from various Korean markets. DART-TOF-MS was employed on powdered raw materials to obtain a chemical fingerprint of each sample and the orthogonal partial-least squares method in discriminant analysis (OPLS-DA) was used for multivariate analysis. Results All samples of collected species were successfully discriminated from each other according to their characteristic DART-TOF-MS fingerprint. Decursin (or decursinol angelate) and byakangelicol were identified as marker molecules for Angelica gigas and A. dahurica, respectively. Using the OPLS method for discriminant analysis, Angelica tenuissima and Cnidium officinale were clearly separated into two groups. Angelica tenuissima was characterised by the presence of ligustilide and unidentified molecular ions of m/z 239 and 283, while senkyunolide A together with signals with m/z 387 and 389 were the marker compounds for Cnidium officinale. Conclusion Elaborating with chemoinformatics, DART-TOF-MS fingerprinting with chemoinformatic tools results in a powerful method for the classification of morphologically similar Umbelliferae medicinal herbs and quality control of medicinal herbal products, including the extracts of these crude drugs. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n DART-Orbitrap MS: a novel mass spectrometric approach for the identification of phenolic compounds in propolis.\n \n \n \n \n\n\n \n Chernetsova, E.; Bromirski, M.; Scheibner, O.; and Morlock, G.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–9. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DART-OrbitrapPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_dart-orbitrap_2012,\n\ttitle = {{DART}-{Orbitrap} {MS}: a novel mass spectrometric approach for the identification of phenolic compounds in propolis},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5800-6},\n\tabstract = {This is the first direct analysis in real-time mass spectrometry (DART-MS) study of propolis and a first study on the analysis of bee products using high-resolution DART-MS (DART-HRMS). Identification of flavonoids and other phenolic compounds in propolis using direct analysis in real-time coupling with Orbitrap mass spectrometry (DART-Orbitrap MS) was performed in the negative ion mode for minimizing the matrix effects, while the positive ion mode was used for the confirmation of selected compounds. Possible elemental formulae were suggested for marker components. The duration of one sample analysis by DART-MS analysis lasted ca . 30 s, and all benefits of high-resolution mass spectrometry were used upon data processing using the coupling of DART with the Orbitrap mass spectrometer. The possibility for scanning analysis of dried propolis extract spots on a planar porous surface was investigated in the heated gas flow of the DART ion source with adjustable angle. As an independent method, the approach of scanning analysis is of high interest and of future potential for confirmation of the results obtained from liquid sample analysis. Scanning analysis is highly promising for further development in the bioanalytical field due to the convenience of the storage and transportation of dried sample spots.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Chernetsova, Elena and Bromirski, Maciej and Scheibner, Olaf and Morlock, Gertrud},\n\tyear = {2012},\n\tpages = {1--9},\n}\n\n\n\n
\n
\n\n\n
\n This is the first direct analysis in real-time mass spectrometry (DART-MS) study of propolis and a first study on the analysis of bee products using high-resolution DART-MS (DART-HRMS). Identification of flavonoids and other phenolic compounds in propolis using direct analysis in real-time coupling with Orbitrap mass spectrometry (DART-Orbitrap MS) was performed in the negative ion mode for minimizing the matrix effects, while the positive ion mode was used for the confirmation of selected compounds. Possible elemental formulae were suggested for marker components. The duration of one sample analysis by DART-MS analysis lasted ca . 30 s, and all benefits of high-resolution mass spectrometry were used upon data processing using the coupling of DART with the Orbitrap mass spectrometer. The possibility for scanning analysis of dried propolis extract spots on a planar porous surface was investigated in the heated gas flow of the DART ion source with adjustable angle. As an independent method, the approach of scanning analysis is of high interest and of future potential for confirmation of the results obtained from liquid sample analysis. Scanning analysis is highly promising for further development in the bioanalytical field due to the convenience of the storage and transportation of dried sample spots.\n
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\n \n\n \n \n \n \n \n \n Evaluating a direct swabbing method for screening pesticides on fruit and vegetable surfaces using direct analysis in real time (DART) coupled to an Exactive benchtop orbitrap mass spectrometer.\n \n \n \n \n\n\n \n Crawford, E.; and Musselman, B.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{crawford_evaluating_2012,\n\ttitle = {Evaluating a direct swabbing method for screening pesticides on fruit and vegetable surfaces using direct analysis in real time ({DART}) coupled to an {Exactive} benchtop orbitrap mass spectrometer},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5853-6},\n\tdoi = {10.1007/s00216-012-5853-6},\n\tabstract = {Rapid screening of pesticides present on the surfaces of fruits and vegetables has been facilitated by using a Direct Analysis in Real Time (DART®) open air surface desorption ionization source coupled to an Exactive® high-resolution accurate mass benchtop orbitrap mass spectrometer. The use of cotton and polyester cleaning swabs to collect and retain pesticides for subsequent open air desorption ionization is demonstrated by sampling the surface of various produce to which solutions of pesticides have been applied at levels 10 and 100 times below the tolerance levels established by the United States Environmental Protection Agency (US EPA). Samples analyzed include cherry tomatoes, oranges, peaches and carrots each chosen for their surface characteristics which include: smooth, pitted, fuzzy, and rough respectively. Results from the direct analysis of fungicides on store-bought oranges are also described. In all cases, the swabs were introduced directly into the heated ionizing gas of the DART source resulting in production of protonated pesticide molecules within seconds of sampling. Operation of the orbitrap mass spectrometer at 25,000 full-width half maximum resolution was sufficient to generate high-quality accurate mass data. Stable external mass calibration eliminated the need for addition of standards typically required for mass calibration, thus allowing multiple analyses to be completed without instrument recalibration.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Crawford, Elizabeth and Musselman, Brian},\n\tyear = {2012},\n\tkeywords = {Chemistry and Materials Science},\n\tpages = {1--6},\n}\n\n\n\n
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\n Rapid screening of pesticides present on the surfaces of fruits and vegetables has been facilitated by using a Direct Analysis in Real Time (DART®) open air surface desorption ionization source coupled to an Exactive® high-resolution accurate mass benchtop orbitrap mass spectrometer. The use of cotton and polyester cleaning swabs to collect and retain pesticides for subsequent open air desorption ionization is demonstrated by sampling the surface of various produce to which solutions of pesticides have been applied at levels 10 and 100 times below the tolerance levels established by the United States Environmental Protection Agency (US EPA). Samples analyzed include cherry tomatoes, oranges, peaches and carrots each chosen for their surface characteristics which include: smooth, pitted, fuzzy, and rough respectively. Results from the direct analysis of fungicides on store-bought oranges are also described. In all cases, the swabs were introduced directly into the heated ionizing gas of the DART source resulting in production of protonated pesticide molecules within seconds of sampling. Operation of the orbitrap mass spectrometer at 25,000 full-width half maximum resolution was sufficient to generate high-quality accurate mass data. Stable external mass calibration eliminated the need for addition of standards typically required for mass calibration, thus allowing multiple analyses to be completed without instrument recalibration.\n
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\n \n\n \n \n \n \n \n \n Analysis of select Dalbergia and trade timber using direct analysis in real time and time-of-flight mass spectrometry for CITES enforcement.\n \n \n \n \n\n\n \n Lancaster, C.; and Espinoza, E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1147–1156. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{lancaster_analysis_2012,\n\ttitle = {Analysis of select {Dalbergia} and trade timber using direct analysis in real time and time-of-flight mass spectrometry for {CITES} enforcement},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6215},\n\tdoi = {10.1002/rcm.6215},\n\tabstract = {RATIONALE\nInternational trade of several Dalbergia wood species is regulated by The Convention on International Trade in Endangered Species of Wild Fauna and Flora (CITES). In order to supplement morphological identification of these species, a rapid chemical method of analysis was developed. \nMETHODS\nUsing Direct Analysis in Real Time (DART) ionization coupled with Time-of-Flight (TOF) Mass Spectrometry (MS), selected Dalbergia and common trade species were analyzed. Each of the 13 wood species was classified using principal component analysis and linear discriminant analysis (LDA). These statistical data clusters served as reliable anchors for species identification of unknowns. \nRESULTS\nAnalysis of 20 or more samples from the 13 species studied in this research indicates that the DART-TOFMS results are reproducible. Statistical analysis of the most abundant ions gave good classifications that were useful for identifying unknown wood samples. \nCONCLUSIONS\nDART-TOFMS and LDA analysis of 13 species of selected timber samples and the statistical classification allowed for the correct assignment of unknown wood samples. This method is rapid and can be useful when anatomical identification is difficult but needed in order to support CITES enforcement. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Lancaster, Cady and Espinoza, Edgard},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1147--1156},\n}\n\n\n\n
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\n RATIONALE International trade of several Dalbergia wood species is regulated by The Convention on International Trade in Endangered Species of Wild Fauna and Flora (CITES). In order to supplement morphological identification of these species, a rapid chemical method of analysis was developed. METHODS Using Direct Analysis in Real Time (DART) ionization coupled with Time-of-Flight (TOF) Mass Spectrometry (MS), selected Dalbergia and common trade species were analyzed. Each of the 13 wood species was classified using principal component analysis and linear discriminant analysis (LDA). These statistical data clusters served as reliable anchors for species identification of unknowns. RESULTS Analysis of 20 or more samples from the 13 species studied in this research indicates that the DART-TOFMS results are reproducible. Statistical analysis of the most abundant ions gave good classifications that were useful for identifying unknown wood samples. CONCLUSIONS DART-TOFMS and LDA analysis of 13 species of selected timber samples and the statistical classification allowed for the correct assignment of unknown wood samples. This method is rapid and can be useful when anatomical identification is difficult but needed in order to support CITES enforcement. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry with collision-induced dissociation for structural analysis of synthetic cannabinoids.\n \n \n \n \n\n\n \n Musah, R. A.; Domin, M. A.; Cody, R. B.; Lesiak, A. D.; John Dane, A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(19): 2335–2342. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{musah_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry with collision-induced dissociation for structural analysis of synthetic cannabinoids},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6354},\n\tdoi = {10.1002/rcm.6354},\n\tabstract = {RATIONALE\n\nThe emergence of numerous cannabinoid designer drugs has been tied to large spikes in emergency room visits and overdoses. Identifying these substances is difficult for the following reasons: (1) the compounds are novel, closely structurally related, and do not usually test positive in drug screens; (2) novel analogs rapidly appear on the market; (3) no standard protocols exist for their identification; and (4) customized and extensive sample preparation/extraction and analysis procedures are required to demonstrate their presence. \n\nMETHODS\n\nDirect analysis in real time mass spectrometry (DART-MS) employing collision-induced dissociation (CID) provided confirmatory structural information that was useful in characterizing the various cannabinoid analogs, including those contained in mixtures. CID analysis illustrated that, although closely related compounds fragment in a similar fashion, their structural differences still resulted in multiple diagnostic peaks that provided additional confidence towards structural identification. \n\nRESULTS\n\nDART-MS spectra were acquired under CID conditions to rapidly differentiate among five synthetic cannabinoids contained within 'herbal' products purchased locally in New York State (USA). The spectra exhibited [M+H]+ ions and product ions unique to each cannabinoid that corresponded to major structural features. Five different cannabinoid analogs, alone and as mixtures of at least two cannabinoids, were identified in six herbal products and differentiated by their CID product ion patterns. \n\nCONCLUSIONS\n\nIllicit synthetic cannabinoid products continue to be readily available despite national and international restrictions. These products contain a wide range of active components, and, in many cases, multiple active ingredients. DART-MS allows rapid analyses of these synthetic cannabinoids based on the exact masses of their [M+H]+ ions and product ion peaks generated using CID. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {19},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Domin, Marek A. and Cody, Robert B. and Lesiak, Ashton D. and John Dane, A. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tpages = {2335--2342},\n}\n\n\n\n
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\n RATIONALE The emergence of numerous cannabinoid designer drugs has been tied to large spikes in emergency room visits and overdoses. Identifying these substances is difficult for the following reasons: (1) the compounds are novel, closely structurally related, and do not usually test positive in drug screens; (2) novel analogs rapidly appear on the market; (3) no standard protocols exist for their identification; and (4) customized and extensive sample preparation/extraction and analysis procedures are required to demonstrate their presence. METHODS Direct analysis in real time mass spectrometry (DART-MS) employing collision-induced dissociation (CID) provided confirmatory structural information that was useful in characterizing the various cannabinoid analogs, including those contained in mixtures. CID analysis illustrated that, although closely related compounds fragment in a similar fashion, their structural differences still resulted in multiple diagnostic peaks that provided additional confidence towards structural identification. RESULTS DART-MS spectra were acquired under CID conditions to rapidly differentiate among five synthetic cannabinoids contained within 'herbal' products purchased locally in New York State (USA). The spectra exhibited [M+H]+ ions and product ions unique to each cannabinoid that corresponded to major structural features. Five different cannabinoid analogs, alone and as mixtures of at least two cannabinoids, were identified in six herbal products and differentiated by their CID product ion patterns. CONCLUSIONS Illicit synthetic cannabinoid products continue to be readily available despite national and international restrictions. These products contain a wide range of active components, and, in many cases, multiple active ingredients. DART-MS allows rapid analyses of these synthetic cannabinoids based on the exact masses of their [M+H]+ ions and product ion peaks generated using CID. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Direct Monitoring of the Role Played by a Stabilizer in a Solid Sample of Polymer Using Direct Analysis in Real Time Mass Spectrometry: The Case of Irgafos 168 in Polyethylene.\n \n \n \n \n\n\n \n Fouyer, K.; Lavastre, O.; and Rondeau, D.\n\n\n \n\n\n\n Analytical Chemistry. September 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fouyer_direct_2012,\n\ttitle = {Direct {Monitoring} of the {Role} {Played} by a {Stabilizer} in a {Solid} {Sample} of {Polymer} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}: {The} {Case} of {Irgafos} 168 in {Polyethylene}},\n\tissn = {0003-2700},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac301759q},\n\tdoi = {10.1021/ac301759q},\n\tabstract = {Direct analysis in real time (DART) ionization method is used with a time-of-flight (TOF) mass spectrometer to perform the analysis of industrial polyethylene pellets free of additives or containing Irgafos 168 as stabilizing agent without any sampling step. The developed analytical method uses the [M + H]+ ion of the bis(2-ethylhexyl) phthalate (DEHP) for performing the exact mass measurements of the stabilizer and polymer ions using the mass drift compensation procedure available on the AccuTOF mass spectrometer. DEHP is in fact a plastic contaminant always presents on the mass spectra of the analyzed samples. The mass spectra allow one to characterize either the ions of the polyethylene and that of the Irgafos. The analysis of thermally treated samples show that the polymer does not undergo any degradation when the Irgafos is present in the bulk of the material, and the role played by the Irgafos 168 is that of an oxygen trapping agent. Under UV exposure, the DART-TOF MS analyses performed on the exposed polyethylene pellets shows that the Irgafos 168 behavior toward the UV radiations is different since this one reacts by cleavages of its P?O bonds to prevent the degradation of the polymer. These interpretations are supported by all the elemental formula determination of the detected ions.},\n\turldate = {2012-10-10},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Fouyer, Kevin and Lavastre, Olivier and Rondeau, David},\n\tmonth = sep,\n\tyear = {2012},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) ionization method is used with a time-of-flight (TOF) mass spectrometer to perform the analysis of industrial polyethylene pellets free of additives or containing Irgafos 168 as stabilizing agent without any sampling step. The developed analytical method uses the [M + H]+ ion of the bis(2-ethylhexyl) phthalate (DEHP) for performing the exact mass measurements of the stabilizer and polymer ions using the mass drift compensation procedure available on the AccuTOF mass spectrometer. DEHP is in fact a plastic contaminant always presents on the mass spectra of the analyzed samples. The mass spectra allow one to characterize either the ions of the polyethylene and that of the Irgafos. The analysis of thermally treated samples show that the polymer does not undergo any degradation when the Irgafos is present in the bulk of the material, and the role played by the Irgafos 168 is that of an oxygen trapping agent. Under UV exposure, the DART-TOF MS analyses performed on the exposed polyethylene pellets shows that the Irgafos 168 behavior toward the UV radiations is different since this one reacts by cleavages of its P?O bonds to prevent the degradation of the polymer. These interpretations are supported by all the elemental formula determination of the detected ions.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time by Mass Spectrometric Technique for Determining the Variation in Metabolite Profiles of Cinnamomum tamala Nees and Eberm Genotypes.\n \n \n \n \n\n\n \n Singh, V.; Gupta, A. K.; Singh, S. P.; and Kumar, A.\n\n\n \n\n\n\n The Scientific World Journal, 2012: 6. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{singh_direct_2012,\n\ttitle = {Direct {Analysis} in {Real} {Time} by {Mass} {Spectrometric} {Technique} for {Determining} the {Variation} in {Metabolite} {Profiles} of {Cinnamomum} tamala {Nees} and {Eberm} {Genotypes}},\n\tvolume = {2012},\n\turl = {http://dx.doi.org/10.1100/2012/549265},\n\tabstract = {Cinnamomum tamala Nees \\& Eberm. is an important traditional  medicinal plant, mentioned in various ancient  literatures such as Ayurveda. Several of its medicinal properties have recently been proved. To characterize diversity in terms of metabolite profiles of Cinnamomum tamala Nees and Eberm genotypes, a newly emerging mass spectral ionization technique direct time in real time (DART) is very helpful. The DART ion source has been used to analyze an extremely wide range of phytochemicals present in leaves of Cinnamomum tamala. Ten genotypes were assessed for the presence of different phytochemicals. Phytochemical analysis showed the presence of mainly terpenes and phenols. These constituents vary in the different genotypes of Cinnamomum tamala. Principal component analysis has also been employed to analyze the DART data of these Cinnamomum genotypes. The result shows that the genotype of Cinnamomum tamala could be differentiated using DART MS data. The active components present in Cinnamomum tamala may be contributing significantly to high amount of antioxidant property of leaves and, in turn, conditional effects for diabetic patients.},\n\tjournal = {The Scientific World Journal},\n\tauthor = {Singh, Vineeta and Gupta, Atul Kumar and Singh, S. P. and Kumar, Anil},\n\tyear = {2012},\n\tpages = {6},\n}\n\n\n\n
\n
\n\n\n
\n Cinnamomum tamala Nees & Eberm. is an important traditional medicinal plant, mentioned in various ancient literatures such as Ayurveda. Several of its medicinal properties have recently been proved. To characterize diversity in terms of metabolite profiles of Cinnamomum tamala Nees and Eberm genotypes, a newly emerging mass spectral ionization technique direct time in real time (DART) is very helpful. The DART ion source has been used to analyze an extremely wide range of phytochemicals present in leaves of Cinnamomum tamala. Ten genotypes were assessed for the presence of different phytochemicals. Phytochemical analysis showed the presence of mainly terpenes and phenols. These constituents vary in the different genotypes of Cinnamomum tamala. Principal component analysis has also been employed to analyze the DART data of these Cinnamomum genotypes. The result shows that the genotype of Cinnamomum tamala could be differentiated using DART MS data. The active components present in Cinnamomum tamala may be contributing significantly to high amount of antioxidant property of leaves and, in turn, conditional effects for diabetic patients.\n
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\n \n\n \n \n \n \n \n \n Study of the distribution profile of piperidine alkaloids in various parts of Prosopis juliflora by the application of Direct Analysis in Real Time Mass Spectrometry (DART-MS).\n \n \n \n \n\n\n \n Singh, S.; and Verma, S.\n\n\n \n\n\n\n Natural Products and Bioprospecting,1–4. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"StudyPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{singh_study_2012,\n\ttitle = {Study of the distribution profile of piperidine alkaloids in various parts of {Prosopis} juliflora by the application of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS})},\n\turl = {http://dx.doi.org/10.1007/s13659-012-0069-1},\n\tabstract = {Direct Analysis in Real Time Mass Spectrometry (DART-MS) was applied to identify and study the distribution profile of piperidine alkaloids in different parts of Prosopis juliflora, without isolation and separation of the compounds by standard chromatographic techniques. With the help of DART-MS, chemical fingerprint of raw plant parts were generated, which revealed the presence of piperidine alkaloids in leaf, pod and flower. A comparative study of the distribution pattern, showed variation in the presence and distribution of these alkaloids in various parts of P. juliflora. The leaves and pod displayed the largest alkaloid pattern with a total of 12 different alkaloids in each part, whereas only 4 alkaloids were present in flower. Alkaloids: julifloridine, prosopine, prosopinine and prosafrinine were ubiquitously distributed in all the alkaloid rich plant parts. Juliprosopine was pre-eminet alkaloid in leaf, whereas pod and flower displayed copious amounts of julifloridine.},\n\tjournal = {Natural Products and Bioprospecting},\n\tauthor = {Singh, Shachi and Verma, SanjayKumar},\n\tyear = {2012},\n\tkeywords = {julifloridine},\n\tpages = {1--4},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time Mass Spectrometry (DART-MS) was applied to identify and study the distribution profile of piperidine alkaloids in different parts of Prosopis juliflora, without isolation and separation of the compounds by standard chromatographic techniques. With the help of DART-MS, chemical fingerprint of raw plant parts were generated, which revealed the presence of piperidine alkaloids in leaf, pod and flower. A comparative study of the distribution pattern, showed variation in the presence and distribution of these alkaloids in various parts of P. juliflora. The leaves and pod displayed the largest alkaloid pattern with a total of 12 different alkaloids in each part, whereas only 4 alkaloids were present in flower. Alkaloids: julifloridine, prosopine, prosopinine and prosafrinine were ubiquitously distributed in all the alkaloid rich plant parts. Juliprosopine was pre-eminet alkaloid in leaf, whereas pod and flower displayed copious amounts of julifloridine.\n
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\n \n\n \n \n \n \n \n \n Ambient analysis by thermal desorption atmospheric pressure photoionization.\n \n \n \n \n\n\n \n Jorabchi, K.; Hanold, K.; and Syage, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–8. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{jorabchi_ambient_2012,\n\ttitle = {Ambient analysis by thermal desorption atmospheric pressure photoionization},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-6536-z},\n\tdoi = {10.1007/s00216-012-6536-z},\n\tabstract = {Ambient mass spectrometry has attracted substantial attention in recent years. Among ambient ionization methods, thermal desorption ionization stands out because of two attributes: (1) simplicity, rendering the technique suitable for in-field applications, and (2) ability to couple with a variety of gas-phase ionization methods thereby broadening the range of molecules that can be analyzed with this method. Here, we report on improving the performance of a direct analysis in real time (DART) source by implementing atmospheric pressure photoionization (APPI) downstream of the desorption region. At identical desorption and ion sampling conditions, APPI leads to detection of radical molecular ions from non-polar compounds that are absent from the spectra generated by DART alone. Moreover, a factor of 3–5 improvement in sensitivity is observed using APPI for positive ions commonly detected by DART and DART-APPI. Using helium and nitrogen as desorption gases, APPI shows identical performance regardless of desorption gas type. In contrast, a dramatic decrease in sensitivity is observed for DART operated with nitrogen compared to DART with helium. Comparable performance for DART and DART-APPI are observed in negative ion mode, although both show a drastic improvement in the absence of the Vapur interface. This interface creates a differentially pumped chamber prior to inlet of the mass spectrometer and reduces the mass spectrometer gas load when helium is used as desorption gas.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Jorabchi, Kaveh and Hanold, Karl and Syage, Jack},\n\tmonth = nov,\n\tyear = {2012},\n\tkeywords = {Ambient mass spectrometry, Direct analysis in real time, Photoionization},\n\tpages = {1--8},\n}\n\n\n\n
\n
\n\n\n
\n Ambient mass spectrometry has attracted substantial attention in recent years. Among ambient ionization methods, thermal desorption ionization stands out because of two attributes: (1) simplicity, rendering the technique suitable for in-field applications, and (2) ability to couple with a variety of gas-phase ionization methods thereby broadening the range of molecules that can be analyzed with this method. Here, we report on improving the performance of a direct analysis in real time (DART) source by implementing atmospheric pressure photoionization (APPI) downstream of the desorption region. At identical desorption and ion sampling conditions, APPI leads to detection of radical molecular ions from non-polar compounds that are absent from the spectra generated by DART alone. Moreover, a factor of 3–5 improvement in sensitivity is observed using APPI for positive ions commonly detected by DART and DART-APPI. Using helium and nitrogen as desorption gases, APPI shows identical performance regardless of desorption gas type. In contrast, a dramatic decrease in sensitivity is observed for DART operated with nitrogen compared to DART with helium. Comparable performance for DART and DART-APPI are observed in negative ion mode, although both show a drastic improvement in the absence of the Vapur interface. This interface creates a differentially pumped chamber prior to inlet of the mass spectrometer and reduces the mass spectrometer gas load when helium is used as desorption gas.\n
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\n \n\n \n \n \n \n \n \n Graphite-Coated Paper as Substrate for High Sensitivity Analysis in Ambient Surface-Assisted Laser Desorption/Ionization Mass Spectrometry.\n \n \n \n \n\n\n \n Zhang, J.; Li, Z.; Zhang, C.; Feng, B.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Anal. Chem., 84(7): 3296–3301. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"Graphite-CoatedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhang_graphite-coated_2012,\n\ttitle = {Graphite-{Coated} {Paper} as {Substrate} for {High} {Sensitivity} {Analysis} in {Ambient} {Surface}-{Assisted} {Laser} {Desorption}/{Ionization} {Mass} {Spectrometry}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac300002g},\n\tdoi = {10.1021/ac300002g},\n\tabstract = {In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.\nIn this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.},\n\tnumber = {7},\n\tjournal = {Anal. Chem.},\n\tauthor = {Zhang, Jialing and Li, Ze and Zhang, Chengsen and Feng, Baosheng and Zhou, Zhigui and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tpages = {3296--3301},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules. In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.\n
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\n \n\n \n \n \n \n \n \n Novel approaches to analysis of 3-chloropropane-1,2-diol esters in vegetable oils.\n \n \n \n \n\n\n \n Moravcova, E.; Vaclavik, L.; Lacina, O.; Hrbek, V.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 402(9): 2871–2883. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"NovelPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{moravcova_novel_2012,\n\ttitle = {Novel approaches to analysis of 3-chloropropane-1,2-diol esters in vegetable oils},\n\tvolume = {402},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5732-1},\n\tdoi = {10.1007/s00216-012-5732-1},\n\tabstract = {A sensitive and accurate method utilizing ultra-high performance liquid chromatography (U-HPLC) coupled to high resolution mass spectrometry based on orbitrap technology (orbitrapMS) for the analysis of nine 3-chloropropane-1,2-diol (3-MCPD) diesters in vegetable oils was developed. To remove the interfering triacylglycerols that induce strong matrix effects, a clean-up step on silica gel column was used. The quantitative analysis was performed with the use of deuterium-labeled internal standards. The lowest calibration levels estimated for the respective analytes ranged from 2 to 5 μg kg −1 . Good recovery values (89–120\\%) and repeatability (RSD 5–9\\%) was obtained at spiking levels of 2 and 10 mg kg −1 . As an alternative, a novel ambient desorption ionization technique, direct analysis in real time (DART), hyphenated with orbitrapMS, was employed for no separation, high-throughput, semi-quantitative screening of 3-MCPD diesters in samples obtained by chromatographic fractionation. Additionally, the levels of 3-MCPD diesters measured in real-life vegetable oil samples (palm oil, sunflower oil, rapeseed oil) using both methods are reported. Relatively good agreement of the data generated by U-HPLC-orbitrapMS and DART-orbitrapMS were observed. With regard to a low ionization yield achieved for 3-MCPD monoesters, the methods presented in this paper were not yet applicable for the analysis of these contaminants at the naturally occurring levels.},\n\tnumber = {9},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Moravcova, Eliska and Vaclavik, Lukas and Lacina, Ondrej and Hrbek, Vojtech and Riddellova, Katerina and Hajslova, Jana},\n\tyear = {2012},\n\tkeywords = {3-MCPD esters; Vegetable oils; U-HPLC-MS; DART-MS; orbitrap, Chemistry and Materials Science},\n\tpages = {2871--2883},\n}\n\n\n\n
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\n A sensitive and accurate method utilizing ultra-high performance liquid chromatography (U-HPLC) coupled to high resolution mass spectrometry based on orbitrap technology (orbitrapMS) for the analysis of nine 3-chloropropane-1,2-diol (3-MCPD) diesters in vegetable oils was developed. To remove the interfering triacylglycerols that induce strong matrix effects, a clean-up step on silica gel column was used. The quantitative analysis was performed with the use of deuterium-labeled internal standards. The lowest calibration levels estimated for the respective analytes ranged from 2 to 5 μg kg −1 . Good recovery values (89–120%) and repeatability (RSD 5–9%) was obtained at spiking levels of 2 and 10 mg kg −1 . As an alternative, a novel ambient desorption ionization technique, direct analysis in real time (DART), hyphenated with orbitrapMS, was employed for no separation, high-throughput, semi-quantitative screening of 3-MCPD diesters in samples obtained by chromatographic fractionation. Additionally, the levels of 3-MCPD diesters measured in real-life vegetable oil samples (palm oil, sunflower oil, rapeseed oil) using both methods are reported. Relatively good agreement of the data generated by U-HPLC-orbitrapMS and DART-orbitrapMS were observed. With regard to a low ionization yield achieved for 3-MCPD monoesters, the methods presented in this paper were not yet applicable for the analysis of these contaminants at the naturally occurring levels.\n
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\n \n\n \n \n \n \n \n Ambient mass spectrometry for extractionless analyses of plants: Holy Grail, useful tool or hoax?.\n \n \n \n\n\n \n van Beek, T.; Shen, Y; Verweij, T; Villela, A; and Claassen, F\n\n\n \n\n\n\n Planta Med, 78(11): CL44. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{van_beek_ambient_2012,\n\ttitle = {Ambient mass spectrometry for extractionless analyses of plants: {Holy} {Grail}, useful tool or hoax?},\n\tvolume = {78},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0032-1320279},\n\tabstract = {Ambient mass spectrometry allows sampling on your benchtop at atmospheric pressure and often without any sample preparation. A short overview of ambient MS is given including ionisation mechanisms and new exciting developments such as leaf spray. Direct Analysis in Real Time (DART) and Desorption Electrospray Ionisation (DESI) applications from the author's group in the field of natural products chemistry are presented. In particular DART-MS is a versatile, easy to handle and fast technique allowing even quantitative measurements of secondary plant metabolites such as alkaloids, terpenes (Ginkgo, star anise) and flavonoids. Fig. A shows the DART-MS of toxic Japanese star anise with a clear peak for the neurotoxin anisatin at m/z 327.107. Chinese star anise lacks this peak (Fig. B). This result was obtained in seconds without any sample preparation. In combination with high-resolution MS it can be used for quality control, adulteration detection, metabolomics and screening of herbal products. It can also be hyphenated to HPLC or TLC. A comparison of DART and DESI-MS in terms of scope, figures of merit and limitations is made.},\n\tnumber = {11},\n\tjournal = {Planta Med},\n\tauthor = {van Beek, TA and Shen, Y and Verweij, T and Villela, A and Claassen, F},\n\tyear = {2012},\n\tpages = {CL44},\n}\n\n\n\n
\n
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\n Ambient mass spectrometry allows sampling on your benchtop at atmospheric pressure and often without any sample preparation. A short overview of ambient MS is given including ionisation mechanisms and new exciting developments such as leaf spray. Direct Analysis in Real Time (DART) and Desorption Electrospray Ionisation (DESI) applications from the author's group in the field of natural products chemistry are presented. In particular DART-MS is a versatile, easy to handle and fast technique allowing even quantitative measurements of secondary plant metabolites such as alkaloids, terpenes (Ginkgo, star anise) and flavonoids. Fig. A shows the DART-MS of toxic Japanese star anise with a clear peak for the neurotoxin anisatin at m/z 327.107. Chinese star anise lacks this peak (Fig. B). This result was obtained in seconds without any sample preparation. In combination with high-resolution MS it can be used for quality control, adulteration detection, metabolomics and screening of herbal products. It can also be hyphenated to HPLC or TLC. A comparison of DART and DESI-MS in terms of scope, figures of merit and limitations is made.\n
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\n \n\n \n \n \n \n \n \n Coupling of planar chromatography with Direct Analysis in Real Time mass spectrometry.\n \n \n \n \n\n\n \n Morlock, G.; and Chernetsova, E.\n\n\n \n\n\n\n Central European Journal of Chemistry, 10(3): 703–710. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"CouplingPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{morlock_coupling_2012,\n\ttitle = {Coupling of planar chromatography with {Direct} {Analysis} in {Real} {Time} mass spectrometry},\n\tvolume = {10},\n\tissn = {1895-1066},\n\turl = {http://dx.doi.org/10.2478/s11532-012-0025-2},\n\tabstract = {Direct Analysis in Real Time mass spectrometry (DART-MS) is an emerging and rapidly developing area of ambient desorption ionization mass spectrometric techniques. Its coupling with planar chromatography is especially promising, as compared to other ambient desorption ionization techniques, because it does not require the use of liquids that may distort the shape of a spot by diffusion effects. In the first publications on TLC/HPTLC-DART-MS, due to the fixed, horizontally aligned supply of the gas flow from the DART ionization source to the MS inlet, the introduction of HPTLC/TLC plates as cut strips was inconvenient for quantitation, and the repeatability was very low due to the manual positioning. Recently a new version of the DART ion source was suggested, which allows adjusting the angle of the DART gas stream and the use of a motorized rail, thereby, improving highly the capabilities of TLC/HPTLC-DART-MS. This comprehensive review describes the development and analytical capabilities of TLC/HPTLC-DART-MS, and the general DART-MS perspectives for surface analysis or imaging MS.},\n\tnumber = {3},\n\tjournal = {Central European Journal of Chemistry},\n\tauthor = {Morlock, Gertrud and Chernetsova, Elena},\n\tyear = {2012},\n\tpages = {703--710},\n}\n\n\n\n
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\n Direct Analysis in Real Time mass spectrometry (DART-MS) is an emerging and rapidly developing area of ambient desorption ionization mass spectrometric techniques. Its coupling with planar chromatography is especially promising, as compared to other ambient desorption ionization techniques, because it does not require the use of liquids that may distort the shape of a spot by diffusion effects. In the first publications on TLC/HPTLC-DART-MS, due to the fixed, horizontally aligned supply of the gas flow from the DART ionization source to the MS inlet, the introduction of HPTLC/TLC plates as cut strips was inconvenient for quantitation, and the repeatability was very low due to the manual positioning. Recently a new version of the DART ion source was suggested, which allows adjusting the angle of the DART gas stream and the use of a motorized rail, thereby, improving highly the capabilities of TLC/HPTLC-DART-MS. This comprehensive review describes the development and analytical capabilities of TLC/HPTLC-DART-MS, and the general DART-MS perspectives for surface analysis or imaging MS.\n
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\n \n\n \n \n \n \n \n \n Headspace–multicapillary column–ion mobility spectrometry for the direct analysis of 2,4,6-trichloroanisole in wine and cork samples.\n \n \n \n \n\n\n \n Márquez-Sillero, I.; Cárdenas, S.; and Valcárcel, M.\n\n\n \n\n\n\n Journal of Chromatography A, 1265(0): 149–154. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"Headspace–multicapillaryPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{marquez-sillero_headspacemulticapillary_2012,\n\ttitle = {Headspace–multicapillary column–ion mobility spectrometry for the direct analysis of 2,4,6-trichloroanisole in wine and cork samples},\n\tvolume = {1265},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967312014999},\n\tdoi = {10.1016/j.chroma.2012.09.087},\n\tabstract = {Headspace–multicapillary column–ion mobility spectrometry coupling has been evaluated for the direct analysis of wine and cork stopper samples for the determination of 2,4,6-trichloroanisole (2,4,6-TCA). The instrumental configuration permits the sample to be introduced in headspace vials which are placed into the autosampler oven in order to facilitate the transference of the volatile compounds from the sample to its headspace. Further, an aliquot of 200 μL of the homogenized gaseous phase is injected into the multicapillary column in order to separate the target compounds from potential interferents. The detection of 2,4,6-TCA was carried out in an ion mobility spectrometer with a radioactive source and working under negative mode. All the system was computer controlled, including data acquisition and treatment. The limits of detection achieved were 0.012 ng L−1 for wine and 0.28 ng g−1 for the cork stopper. The procedure was applied to the analysis of commercial wine samples in different packages and 2,4,6-TCA was found in all of those closed with a cork stopper. The excellent recovery values obtained testify for the goodness of the method as no interference from the sample matrix exits.},\n\tnumber = {0},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Márquez-Sillero, Isabel and Cárdenas, Soledad and Valcárcel, Miguel},\n\tmonth = nov,\n\tyear = {2012},\n\tkeywords = {2,4,6-Trichloroanisole, Cork, Headspace, Ion mobility spectrometry, Multicapillary column, Wine},\n\tpages = {149--154},\n}\n\n\n\n
\n
\n\n\n
\n Headspace–multicapillary column–ion mobility spectrometry coupling has been evaluated for the direct analysis of wine and cork stopper samples for the determination of 2,4,6-trichloroanisole (2,4,6-TCA). The instrumental configuration permits the sample to be introduced in headspace vials which are placed into the autosampler oven in order to facilitate the transference of the volatile compounds from the sample to its headspace. Further, an aliquot of 200 μL of the homogenized gaseous phase is injected into the multicapillary column in order to separate the target compounds from potential interferents. The detection of 2,4,6-TCA was carried out in an ion mobility spectrometer with a radioactive source and working under negative mode. All the system was computer controlled, including data acquisition and treatment. The limits of detection achieved were 0.012 ng L−1 for wine and 0.28 ng g−1 for the cork stopper. The procedure was applied to the analysis of commercial wine samples in different packages and 2,4,6-TCA was found in all of those closed with a cork stopper. The excellent recovery values obtained testify for the goodness of the method as no interference from the sample matrix exits.\n
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\n \n\n \n \n \n \n \n \n Separation mechanism of chiral impurities, ephedrine and pseudoephedrine, found in amphetamine-type substances using achiral modifiers in the gas phase.\n \n \n \n \n\n\n \n Holness, H.; Jamal, A.; Mebel, A.; and Almirall, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 404(8): 2407–2416. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"SeparationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{holness_separation_2012,\n\ttitle = {Separation mechanism of chiral impurities, ephedrine and pseudoephedrine, found in amphetamine-type substances using achiral modifiers in the gas phase},\n\tvolume = {404},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-6365-0},\n\tdoi = {10.1007/s00216-012-6365-0},\n\tabstract = {A new mechanism is proposed that describes the gas-phase separation of chiral molecules found in amphetamine-type substances (ATS) by the use of high-resolution ion mobility spectrometry (IMS). Straight-chain achiral alcohols of increasing carbon chain length, from methanol to n -octanol, are used as drift gas modifiers in IMS to highlight the mechanism proposed for gas-phase separations of these chiral molecules. The results suggest the possibility of using these achiral modifiers to separate the chiral molecules ( R , S ) and ( S , R )-ephedrine and ( S , S ) and ( R , R )-pseudoephedrine which contain an internal hydroxyl group at the first chiral center and an amino group at the other chiral center. Ionization was achieved with an electrospray source, the ions were introduced into an IMS with a resolving power of 80, and the resulting ion clusters were characterized with a coupled quadrupole mass spectrometer detector. A complementary computational study conducted at the density functional B3LYP/6-31g level of theory for the electronic structure of the analyte–modifier clusters was also performed, and showed either “bridged” or “independent” binding. The combined experimental and simulation data support the proposed mechanism for gas-phase chiral separations using achiral modifiers in the gas phase, thus enhancing the potential to conduct fast chiral separations with relative ease and efficiency.},\n\tnumber = {8},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Holness, Howard and Jamal, Adeel and Mebel, Alexander and Almirall, José},\n\tmonth = nov,\n\tyear = {2012},\n\tkeywords = {Chemistry and Materials Science},\n\tpages = {2407--2416},\n}\n\n\n\n
\n
\n\n\n
\n A new mechanism is proposed that describes the gas-phase separation of chiral molecules found in amphetamine-type substances (ATS) by the use of high-resolution ion mobility spectrometry (IMS). Straight-chain achiral alcohols of increasing carbon chain length, from methanol to n -octanol, are used as drift gas modifiers in IMS to highlight the mechanism proposed for gas-phase separations of these chiral molecules. The results suggest the possibility of using these achiral modifiers to separate the chiral molecules ( R , S ) and ( S , R )-ephedrine and ( S , S ) and ( R , R )-pseudoephedrine which contain an internal hydroxyl group at the first chiral center and an amino group at the other chiral center. Ionization was achieved with an electrospray source, the ions were introduced into an IMS with a resolving power of 80, and the resulting ion clusters were characterized with a coupled quadrupole mass spectrometer detector. A complementary computational study conducted at the density functional B3LYP/6-31g level of theory for the electronic structure of the analyte–modifier clusters was also performed, and showed either “bridged” or “independent” binding. The combined experimental and simulation data support the proposed mechanism for gas-phase chiral separations using achiral modifiers in the gas phase, thus enhancing the potential to conduct fast chiral separations with relative ease and efficiency.\n
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\n \n\n \n \n \n \n \n \n Ion Mobility Spectrometry: A Comprehensive and Versatile Tool for Occupational Pharmaceutical Exposure Assessment.\n \n \n \n \n\n\n \n Armenta, S.; and Blanco, M.\n\n\n \n\n\n\n Analytical Chemistry, 84(10): 4560–4568. April 2012.\n \n\n\n\n
\n\n\n\n \n \n \"IonPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{armenta_ion_2012,\n\ttitle = {Ion {Mobility} {Spectrometry}: {A} {Comprehensive} and {Versatile} {Tool} for {Occupational} {Pharmaceutical} {Exposure} {Assessment}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac300655t},\n\tdoi = {10.1021/ac300655t},\n\tabstract = {The qualitative and quantitative capabilities of ion mobility spectrometry (IMS) as a comprehensive and powerful tool in workplace air monitoring have been demonstrated on the example of a Spanish pharmaceutical company. The developed IMS based procedure is capable of detecting and determining in air samples the active pharmaceutical ingredients (APIs) manipulated and/or produced in this pharmaceutical industry. Sensitivity, in the ng?pg range, selectivity, possibly to provide results in near real time, and reduction of analysis costs are the most important properties that ratify IMS as a serious alternative in occupational exposure assessment. The possibility of false positives by drift time interferences and false negatives by competitive ionization and also desorption process interferences has been deeply evaluated. Moreover, chemometric strategies based on self-modeling curve resolution (SMCR) have been applied to obtain qualitative and quantitative individual component information from overlapped peaks. The IMS procedure has been successfully applied to evaluate the concentration of APIs (nimesulide, dexketoprofen, deflazacort) handled by the pharmaceutical company employees in the making of tablets and granulates, and control measures have been suggested in accordance.},\n\tnumber = {10},\n\turldate = {2012-11-08},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Armenta, S. and Blanco, M.},\n\tmonth = apr,\n\tyear = {2012},\n\tpages = {4560--4568},\n}\n\n\n\n
\n
\n\n\n
\n The qualitative and quantitative capabilities of ion mobility spectrometry (IMS) as a comprehensive and powerful tool in workplace air monitoring have been demonstrated on the example of a Spanish pharmaceutical company. The developed IMS based procedure is capable of detecting and determining in air samples the active pharmaceutical ingredients (APIs) manipulated and/or produced in this pharmaceutical industry. Sensitivity, in the ng?pg range, selectivity, possibly to provide results in near real time, and reduction of analysis costs are the most important properties that ratify IMS as a serious alternative in occupational exposure assessment. The possibility of false positives by drift time interferences and false negatives by competitive ionization and also desorption process interferences has been deeply evaluated. Moreover, chemometric strategies based on self-modeling curve resolution (SMCR) have been applied to obtain qualitative and quantitative individual component information from overlapped peaks. The IMS procedure has been successfully applied to evaluate the concentration of APIs (nimesulide, dexketoprofen, deflazacort) handled by the pharmaceutical company employees in the making of tablets and granulates, and control measures have been suggested in accordance.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry: rapid analysis of soft medicinal formulations.\n \n \n \n \n\n\n \n Abramovich, R.; and Revel’skii, I.\n\n\n \n\n\n\n Pharmaceutical Chemistry Journal, 45(11): 698–700. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{abramovich_dart_2012,\n\ttitle = {{DART} mass spectrometry: rapid analysis of soft medicinal formulations},\n\tvolume = {45},\n\tissn = {0091-150X},\n\turl = {http://dx.doi.org/10.1007/s11094-012-0705-4},\n\tabstract = {The possibility of using the DART mass spectrometry method for rapid analysis of soft medicinal formulations is considered. Studies of “tetracycline”, “Sintomycin Liniment”, and “Levomecol” creams and suppositories based on hard fat were studied. The possibility of using this method for the rapid screening of medicinal formulations in search of counterfeits is discussed. This is the first report of the analysis of suppositories using DART mass spectrometry.},\n\tnumber = {11},\n\tjournal = {Pharmaceutical Chemistry Journal},\n\tauthor = {Abramovich, R. and Revel’skii, I.},\n\tyear = {2012},\n\tpages = {698--700},\n}\n\n\n\n
\n
\n\n\n
\n The possibility of using the DART mass spectrometry method for rapid analysis of soft medicinal formulations is considered. Studies of “tetracycline”, “Sintomycin Liniment”, and “Levomecol” creams and suppositories based on hard fat were studied. The possibility of using this method for the rapid screening of medicinal formulations in search of counterfeits is discussed. This is the first report of the analysis of suppositories using DART mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n ID-CUBE direct analysis in real time high-resolution mass spectrometry and its capabilities in the identification of phenolic components from the green leaves of Bergenia crassifolia L.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Crawford, E. A.; Shikov, A. N.; Pozharitskaya, O. N.; Makarov, V. G.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(11): 1329–1337. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ID-CUBEPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_id-cube_2012,\n\ttitle = {{ID}-{CUBE} direct analysis in real time high-resolution mass spectrometry and its capabilities in the identification of phenolic components from the green leaves of {Bergenia} crassifolia {L}.},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6226},\n\tdoi = {10.1002/rcm.6226},\n\tabstract = {RATIONALE\nBergenia crassifolia is a plant widely used in herbal medicine. Its chemical composition has been little studied, and no studies using high-resolution mass spectrometry (HRMS) have been performed. Its phenolic components are of particular interest, due to the interest in such compounds in medicine and cosmetics. The ID-CUBE, a simplified Direct Analysis in Real Time (DART) ion source, suitable for the fast MS analysis of liquids without complex sample preparation, offers a new method of studying extracts of such plant. Coupling the ID-CUBE with a high-resolution mass spectrometer can provide identification of extract components. \nMETHODS\nMass spectral conditions were optimized for model solutions of the flavonoid naringenin and used for the identification of phenolic compounds in green leaves extracts of Bergenia crassifolia. OpenSpot sample cards with a metal grid surface were used for sample introduction into the ID-CUBE ion source on an Obitrap mass spectrometer. The samples were applied as 5-μL aliquots of the extract onto the metal grid of the card. Sample ionization was stimulated in the ion source within 20 s by applying an electric current to the metal grid to thermally desorb the analytes into the gas flow of metastable helium atoms from the ID-CUBE. \nRESULTS\nElemental compositions were assigned to abundant ions in the mass spectra of the extracts. The major phenolic components were confirmed by their [M–H]– ions. Thirty-six other marker ions were found, and elemental compositions were suggested for 30\\% of them, based on a search for compounds found in herbal extracts. \nCONCLUSIONS\nThe ID-CUBE–Orbitrap MS coupling allowed the rapid accurate mass determination of the phenolic components (and other compounds) in herbal extracts. Higher confidence in component identification could be provided by using additional structural elucidation methods, including tandem mass spectrometry (MS/MS), and this will be the focus of future studies. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {11},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Crawford, Elizabeth A. and Shikov, Alexander N. and Pozharitskaya, Olga N. and Makarov, Valery G. and Morlock, Gertrud E.},\n\tyear = {2012},\n\tpages = {1329--1337},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n RATIONALE Bergenia crassifolia is a plant widely used in herbal medicine. Its chemical composition has been little studied, and no studies using high-resolution mass spectrometry (HRMS) have been performed. Its phenolic components are of particular interest, due to the interest in such compounds in medicine and cosmetics. The ID-CUBE, a simplified Direct Analysis in Real Time (DART) ion source, suitable for the fast MS analysis of liquids without complex sample preparation, offers a new method of studying extracts of such plant. Coupling the ID-CUBE with a high-resolution mass spectrometer can provide identification of extract components. METHODS Mass spectral conditions were optimized for model solutions of the flavonoid naringenin and used for the identification of phenolic compounds in green leaves extracts of Bergenia crassifolia. OpenSpot sample cards with a metal grid surface were used for sample introduction into the ID-CUBE ion source on an Obitrap mass spectrometer. The samples were applied as 5-μL aliquots of the extract onto the metal grid of the card. Sample ionization was stimulated in the ion source within 20 s by applying an electric current to the metal grid to thermally desorb the analytes into the gas flow of metastable helium atoms from the ID-CUBE. RESULTS Elemental compositions were assigned to abundant ions in the mass spectra of the extracts. The major phenolic components were confirmed by their [M–H]– ions. Thirty-six other marker ions were found, and elemental compositions were suggested for 30% of them, based on a search for compounds found in herbal extracts. CONCLUSIONS The ID-CUBE–Orbitrap MS coupling allowed the rapid accurate mass determination of the phenolic components (and other compounds) in herbal extracts. Higher confidence in component identification could be provided by using additional structural elucidation methods, including tandem mass spectrometry (MS/MS), and this will be the focus of future studies. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Online Coupling of Capillary Electrophoresis with Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Chang, C.; Xu, G.; Bai, Y.; Zhang, C.; Li, X.; Li, M.; Liu, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical Chemistry. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"OnlinePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chang_online_2012,\n\ttitle = {Online {Coupling} of {Capillary} {Electrophoresis} with {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac303450v},\n\tdoi = {10.1021/ac303450v},\n\tabstract = {The online coupling of capillary electrophoresis with ambient direct analysis in real time mass spectrometry (DART-MS) was realized by a coaxial tip interface. The analytes eluted from CE were directly ionized by the metastable helium flux produced by DART and transferred into MS for the detection, with which the online separation and simultaneous detection were achieved. The CE-DART-MS can tolerate higher concentrations of detergents and salts than traditional CE-ESI-MS and avoided the difficulties of collecting CE effluent and cleaning the interface, which simplified the experimental procedures and shortened the analysis time. The performance of the technique was successfully verified by capillary zone electrophoresis (CZE) and micellar electrokinetic chromatography (MEKC) using a mixture of 4-aminoantipyrine, zolmitriptan and quinine. This online technique showed good repeatability with the RSDs (n=5) of 0.56{\\textasciitilde}1.23\\% for the retention times and 2.01{\\textasciitilde}7.41\\% for the peak areas. The quantitative analysis of 4-aminoantipyrine was accomplished in the range of 0.01{\\textasciitilde}0.50 mg/mL with the linear correlation coefficient of 0.9995 and limit of detection of 14.7 fmol. Compared with CE-ESI-MS, the ion suppression effects of non-volatile salts and detergents were efficiently minimized. The signal intensity remained constant when the concentrations reached 100 mM for sodium borate and 30 mM for SDS (in 30 mM sodium borate buffer). In addition, the proposed method was successfully applied to the detection of the endogenous caffeine in the Chinese white tea.},\n\turldate = {2012-12-04},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Chang, Cuilan and Xu, Gege and Bai, Yu and Zhang, Chengsen and Li, Xianjiang and Li, Min and Liu, Yi and Liu, Huwei},\n\tmonth = nov,\n\tyear = {2012},\n}\n\n\n\n
\n
\n\n\n
\n The online coupling of capillary electrophoresis with ambient direct analysis in real time mass spectrometry (DART-MS) was realized by a coaxial tip interface. The analytes eluted from CE were directly ionized by the metastable helium flux produced by DART and transferred into MS for the detection, with which the online separation and simultaneous detection were achieved. The CE-DART-MS can tolerate higher concentrations of detergents and salts than traditional CE-ESI-MS and avoided the difficulties of collecting CE effluent and cleaning the interface, which simplified the experimental procedures and shortened the analysis time. The performance of the technique was successfully verified by capillary zone electrophoresis (CZE) and micellar electrokinetic chromatography (MEKC) using a mixture of 4-aminoantipyrine, zolmitriptan and quinine. This online technique showed good repeatability with the RSDs (n=5) of 0.56~1.23% for the retention times and 2.01~7.41% for the peak areas. The quantitative analysis of 4-aminoantipyrine was accomplished in the range of 0.01~0.50 mg/mL with the linear correlation coefficient of 0.9995 and limit of detection of 14.7 fmol. Compared with CE-ESI-MS, the ion suppression effects of non-volatile salts and detergents were efficiently minimized. The signal intensity remained constant when the concentrations reached 100 mM for sodium borate and 30 mM for SDS (in 30 mM sodium borate buffer). In addition, the proposed method was successfully applied to the detection of the endogenous caffeine in the Chinese white tea.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART) Mass Spectrometry of Adulterants in Herbal Slimming Products using a Tandem Quadrupole MS and Data Directed Analysis.\n \n \n \n\n\n \n Jones, M.; Twohig, M; Yu, K; Balogh, M; Tice, J; and Musselman, B\n\n\n \n\n\n\n Planta Med, 78(05): P_127. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jones_direct_2012,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry} of {Adulterants} in {Herbal} {Slimming} {Products} using a {Tandem} {Quadrupole} {MS} and {Data} {Directed} {Analysis}},\n\tvolume = {78},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0032-1307635},\n\tabstract = {Several troubling studies show the adulteration of herbal slimming products with sibutramine is a common occurrence. Recent reports suggesting an increased risk of serious cardiovascular events (such as heart attack or stroke) in patients with known cardiovascular disease taking sibutramine have prompted the European Medicines Agency (EMA) to recommend that the use of sibutramine be suspended. The aim of this study is to develop specific methods for the rapid screening of herbal medicines for illicit adulteration with pharmaceutical drugs.\n\nHerbal slimming aids were purchased over the internet from store websites and auction sites. Samples were analysed using a direct analysis in real time (DART) interface and a tandem quadrupole mass spectrometer. Samples purchased over the internet were found to contain undeclared pharmaceutical substances with the main component being sibutramine, an appetite suppressant used in the treatment of obesity. In addition to sibutramine, phenolphthalein and sildenafil were also identified none of which were declared on the box or enclosed information.\n\nDuring our study we were able to identify nine samples that had been contaminated by sibutramine. DART with data directed analysis of the sample using a data directed high low collision energy experiment provides simultaneous intact molecular ion and fragmentation information, while allowing samples to be analysed very rapidly and without the need for complex sample preparation or chromatography. The testing of unlicensed herbal medicines and herbal dietary supplements are vital functions due to the possibility of illegal adulteration and/or contamination and the potential that exists for adverse health effects to unsuspecting consumers.},\n\tnumber = {05},\n\tjournal = {Planta Med},\n\tauthor = {Jones, MD and Twohig, M and Yu, K and Balogh, M and Tice, J and Musselman, B},\n\tyear = {2012},\n\tpages = {P\\_127},\n}\n\n\n\n
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\n Several troubling studies show the adulteration of herbal slimming products with sibutramine is a common occurrence. Recent reports suggesting an increased risk of serious cardiovascular events (such as heart attack or stroke) in patients with known cardiovascular disease taking sibutramine have prompted the European Medicines Agency (EMA) to recommend that the use of sibutramine be suspended. The aim of this study is to develop specific methods for the rapid screening of herbal medicines for illicit adulteration with pharmaceutical drugs. Herbal slimming aids were purchased over the internet from store websites and auction sites. Samples were analysed using a direct analysis in real time (DART) interface and a tandem quadrupole mass spectrometer. Samples purchased over the internet were found to contain undeclared pharmaceutical substances with the main component being sibutramine, an appetite suppressant used in the treatment of obesity. In addition to sibutramine, phenolphthalein and sildenafil were also identified none of which were declared on the box or enclosed information. During our study we were able to identify nine samples that had been contaminated by sibutramine. DART with data directed analysis of the sample using a data directed high low collision energy experiment provides simultaneous intact molecular ion and fragmentation information, while allowing samples to be analysed very rapidly and without the need for complex sample preparation or chromatography. The testing of unlicensed herbal medicines and herbal dietary supplements are vital functions due to the possibility of illegal adulteration and/or contamination and the potential that exists for adverse health effects to unsuspecting consumers.\n
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\n \n\n \n \n \n \n \n \n Validation of a Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for the quantitation of six carbon sugars in a saccharification matrix.\n \n \n \n \n\n\n \n Saang'onyo, D.; Selby, G.; and Smith, D. L.\n\n\n \n\n\n\n Anal. Methods. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{saangonyo_validation_2012,\n\ttitle = {Validation of a {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) method for the quantitation of six carbon sugars in a saccharification matrix},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C2AY25337B},\n\tabstract = {A Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for quantitation of six carbon sugars in saccharification matrix (solution used for the enzyme hydrolysis of switchgrass) was developed and validated. The DART ion source was used to produce ammonium adducts of the spiked glucose molecular ion and the d2-glucose (internal standard) that were detected by scanning with a linear ion trap. Calibration curves were obtained over a linear range of 10 to 3000 [small mu ]M with correlation coefficients better than 0.997 and method recoveries were 94.9\\% to 103.0\\%. Matrix effects were observed and managed with matrix-matching standards for generating calibration curves. Limits of detection and quantitation were 5.84 [times] 10-6 M and 1.95 [times] 10-5 M, respectively. These results indicate this method could be implemented for quantitation of glucose generated from saccharification samples.},\n\tjournal = {Anal. Methods},\n\tauthor = {Saang'onyo, Daudi and Selby, Gary and Smith, Darrin L.},\n\tyear = {2012},\n}\n\n\n\n
\n
\n\n\n
\n A Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for quantitation of six carbon sugars in saccharification matrix (solution used for the enzyme hydrolysis of switchgrass) was developed and validated. The DART ion source was used to produce ammonium adducts of the spiked glucose molecular ion and the d2-glucose (internal standard) that were detected by scanning with a linear ion trap. Calibration curves were obtained over a linear range of 10 to 3000 [small mu ]M with correlation coefficients better than 0.997 and method recoveries were 94.9% to 103.0%. Matrix effects were observed and managed with matrix-matching standards for generating calibration curves. Limits of detection and quantitation were 5.84 [times] 10-6 M and 1.95 [times] 10-5 M, respectively. These results indicate this method could be implemented for quantitation of glucose generated from saccharification samples.\n
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\n \n\n \n \n \n \n \n \n Metabolomic fingerprinting employing DART-TOFMS for authentication of tomatoes and peppers from organic and conventional farming.\n \n \n \n \n\n\n \n Novotná, H.; Kmiecik, O.; Gałązka, M.; Krtková, V.; Hurajová, A.; Schulzová, V.; Hallmann, E.; Rembiałkowska, E.; and Hajšlová, J.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 29(9): 1335–1346. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"MetabolomicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{novotna_metabolomic_2012,\n\ttitle = {Metabolomic fingerprinting employing {DART}-{TOFMS} for authentication of tomatoes and peppers from organic and conventional farming},\n\tvolume = {29},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2012.690348},\n\tdoi = {10.1080/19440049.2012.690348},\n\tabstract = {The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5\\% for tomato and 100\\% for pepper samples and the prediction abilities were above 80\\% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.\nThe rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5\\% for tomato and 100\\% for pepper samples and the prediction abilities were above 80\\% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.},\n\tnumber = {9},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Novotná, H. and Kmiecik, O. and Gałązka, M. and Krtková, V. and Hurajová, A. and Schulzová, V. and Hallmann, E. and Rembiałkowska, E. and Hajšlová, J.},\n\tyear = {2012},\n\tpages = {1335--1346},\n}\n\n\n\n
\n
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\n The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5% for tomato and 100% for pepper samples and the prediction abilities were above 80% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models. The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5% for tomato and 100% for pepper samples and the prediction abilities were above 80% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.\n
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\n \n\n \n \n \n \n \n \n Fingerprinting food: current technologies for the detection of food adulteration and contamination.\n \n \n \n \n\n\n \n Ellis, D. I.; Brewster, V. L.; Dunn, W. B.; Allwood, J. W.; Golovanov, A. P.; and Goodacre, R.\n\n\n \n\n\n\n Chem. Soc. Rev.. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"FingerprintingPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{ellis_fingerprinting_2012,\n\ttitle = {Fingerprinting food: current technologies for the detection of food adulteration and contamination},\n\tissn = {0306-0012},\n\turl = {http://dx.doi.org/10.1039/C2CS35138B},\n\tabstract = {Major food adulteration and contamination events seem to occur with some regularity, such as the widely publicised adulteration of milk products with melamine and the recent microbial contamination of vegetables across Europe for example. With globalisation and rapid distribution systems, these can have international impacts with far-reaching and sometimes lethal consequences. These events, though potentially global in the modern era, are in fact far from contemporary, and deliberate adulteration of food products is probably as old as the food processing and production systems themselves. This review first introduces some background into these practices, both historically and contemporary, before introducing a range of the technologies currently available for the detection of food adulteration and contamination. These methods include the vibrational spectroscopies: near-infrared, mid-infrared, Raman; NMR spectroscopy, as well as a range of mass spectrometry (MS) techniques, amongst others. This subject area is particularly relevant at this time, as it not only concerns the continuous engagement with food adulterers, but also more recent issues such as food security, bioterrorism and climate change. It is hoped that this introductory overview acts as a springboard for researchers in science, technology, engineering, and industry, in this era of systems-level thinking and interdisciplinary approaches to new and contemporary problems.},\n\tjournal = {Chem. Soc. Rev.},\n\tauthor = {Ellis, David I. and Brewster, Victoria L. and Dunn, Warwick B. and Allwood, J. William and Golovanov, Alexander P. and Goodacre, Royston},\n\tyear = {2012},\n}\n\n\n\n
\n
\n\n\n
\n Major food adulteration and contamination events seem to occur with some regularity, such as the widely publicised adulteration of milk products with melamine and the recent microbial contamination of vegetables across Europe for example. With globalisation and rapid distribution systems, these can have international impacts with far-reaching and sometimes lethal consequences. These events, though potentially global in the modern era, are in fact far from contemporary, and deliberate adulteration of food products is probably as old as the food processing and production systems themselves. This review first introduces some background into these practices, both historically and contemporary, before introducing a range of the technologies currently available for the detection of food adulteration and contamination. These methods include the vibrational spectroscopies: near-infrared, mid-infrared, Raman; NMR spectroscopy, as well as a range of mass spectrometry (MS) techniques, amongst others. This subject area is particularly relevant at this time, as it not only concerns the continuous engagement with food adulterers, but also more recent issues such as food security, bioterrorism and climate change. It is hoped that this introductory overview acts as a springboard for researchers in science, technology, engineering, and industry, in this era of systems-level thinking and interdisciplinary approaches to new and contemporary problems.\n
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\n \n\n \n \n \n \n \n \n Ambient Ionization–Accurate Mass Spectrometry (AMI-AMS) for the Identification of Nonvisible Set-off in Food-Contact Materials.\n \n \n \n \n\n\n \n Bentayeb, K.; Ackerman, L. K.; and Begley, T. H.\n\n\n \n\n\n\n J. Agric. Food Chem., 60(8): 1914–1920. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{bentayeb_ambient_2012,\n\ttitle = {Ambient {Ionization}–{Accurate} {Mass} {Spectrometry} ({AMI}-{AMS}) for the {Identification} of {Nonvisible} {Set}-off in {Food}-{Contact} {Materials}},\n\tvolume = {60},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf204456z},\n\tdoi = {10.1021/jf204456z},\n\tabstract = {Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.\nSet-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.},\n\tnumber = {8},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Bentayeb, Karim and Ackerman, Luke K. and Begley, Timothy H.},\n\tyear = {2012},\n\tpages = {1914--1920},\n}\n\n\n\n
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\n Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging. Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry for analysis of sexual assault evidence.\n \n \n \n \n\n\n \n Musah, R. A.; Cody, R. B.; Dane, A. J.; Vuong, A. L.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1039–1046. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{musah_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry for analysis of sexual assault evidence},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6198},\n\tdoi = {10.1002/rcm.6198},\n\tabstract = {RATIONALE\nSexual assault crimes are vastly underreported and suffer from alarmingly low prosecution and conviction rates. The key scientific method to aid in prosecution of such cases is forensic DNA analysis, where biological evidence such as semen collected using a rape test kit is used to determine a suspect's DNA profile. However, the growing awareness by criminals of the importance of DNA in the prosecution of sexual assaults has resulted in increased condom use by assailants as a means to avoid leaving behind their DNA. Thus, other types of trace evidence are important to help corroborate victims' accounts, exonerate the innocent, link suspects to the crime, or confirm penetration. \nMETHODS\nDirect Analysis in Real Time Mass Spectrometry (DART-MS) was employed for the comprehensive characterization of non-DNA trace evidence associated with sexual assault. The ambient ionization method associated with DART-MS is extremely rapid and samples are processed instantaneously, without the need for extraction, sample preparation, or other means that might compromise forensic evidence for future analyses. \nRESULTS\nIn a single assay, we demonstrated the ability to identify lubricant formulations associated with sexual assault, such as the spermicide nonoxynol-9, compounds used in condom manufacture, and numerous other trace components as probative evidence. In addition, the method can also serve to identify compounds within trace biological residues, such as fatty acids commonly identified in latent fingerprints. \nCONCLUSIONS\nCharacterization of lubricant residues as probative evidence serves to establish a connection between the victim and the perpetrator, and the availability of these details may lead to higher rates of prosecution and conviction, as well as more severe penalties. The methodology described here opens the way for the adoption of a comprehensive, rapid, and sensitive analysis for use in crime labs, while providing knowledge that can inform and guide criminal justice policy and practice. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Cody, Robert B. and Dane, A. John and Vuong, Angela L. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1039--1046},\n}\n\n\n\n
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\n RATIONALE Sexual assault crimes are vastly underreported and suffer from alarmingly low prosecution and conviction rates. The key scientific method to aid in prosecution of such cases is forensic DNA analysis, where biological evidence such as semen collected using a rape test kit is used to determine a suspect's DNA profile. However, the growing awareness by criminals of the importance of DNA in the prosecution of sexual assaults has resulted in increased condom use by assailants as a means to avoid leaving behind their DNA. Thus, other types of trace evidence are important to help corroborate victims' accounts, exonerate the innocent, link suspects to the crime, or confirm penetration. METHODS Direct Analysis in Real Time Mass Spectrometry (DART-MS) was employed for the comprehensive characterization of non-DNA trace evidence associated with sexual assault. The ambient ionization method associated with DART-MS is extremely rapid and samples are processed instantaneously, without the need for extraction, sample preparation, or other means that might compromise forensic evidence for future analyses. RESULTS In a single assay, we demonstrated the ability to identify lubricant formulations associated with sexual assault, such as the spermicide nonoxynol-9, compounds used in condom manufacture, and numerous other trace components as probative evidence. In addition, the method can also serve to identify compounds within trace biological residues, such as fatty acids commonly identified in latent fingerprints. CONCLUSIONS Characterization of lubricant residues as probative evidence serves to establish a connection between the victim and the perpetrator, and the availability of these details may lead to higher rates of prosecution and conviction, as well as more severe penalties. The methodology described here opens the way for the adoption of a comprehensive, rapid, and sensitive analysis for use in crime labs, while providing knowledge that can inform and guide criminal justice policy and practice. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Rapid detection of alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS/MS).\n \n \n \n \n\n\n \n Sun, L.; Hu, X.; Liu, L.; Jin, H.; and Lin, R.\n\n\n \n\n\n\n Zhongguo Zhong Yao Za Zhi, 37: 1426–30. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sun_rapid_2012,\n\ttitle = {Rapid detection of alkaloids in {Ipecac} by direct analysis in real time tandem mass spectrometry ({DART}-{MS}/{MS})},\n\tvolume = {37},\n\turl = {http://www.ncbi.nlm.nih.gov/pubmed/22860455},\n\tabstract = {OBJECTIVE: To detect alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS) without pre-treatment and chromatographic separation. METHOD: Under the optimum conditions, DART-MS characteristic spectra were collected for tablet of Ipecac powder, Ipecac stems and leaves by full scanning,and secondary spectra were adopted for identifying alkaloids. The multiple reaction monitoring mode was adopted to determine the mass spectrum peak intensity of determinands on the surface of determined samples, in order to calculate their average content in samples. RESULT: Spectra of tablet of Ipecac powder and Ipecac stems showed remarkable ionized ion peaks of emetine and cephaeline at m/z 481 and 467, while spectra of leaves showed ionized ion peaks of other alkaloids at m/z 479 and 465. Furthermore, the quantitative analysis was also demonstrated with good reproducibility and linear relationship. CONCLUSION:  The mode can play a role in rapid determination of medicinal materials and prepared herbal medicines and real-time rapid quantitative analysis on intermediates and preparations.},\n\tlanguage = {Chinese},\n\tjournal = {Zhongguo Zhong Yao Za Zhi},\n\tauthor = {Sun, Lei and Hu, Xiaoru and Liu, Lina and Jin, Hongyu and Lin, Ruichao},\n\tyear = {2012},\n\tpages = {1426--30},\n}\n\n\n\n
\n
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\n OBJECTIVE: To detect alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS) without pre-treatment and chromatographic separation. METHOD: Under the optimum conditions, DART-MS characteristic spectra were collected for tablet of Ipecac powder, Ipecac stems and leaves by full scanning,and secondary spectra were adopted for identifying alkaloids. The multiple reaction monitoring mode was adopted to determine the mass spectrum peak intensity of determinands on the surface of determined samples, in order to calculate their average content in samples. RESULT: Spectra of tablet of Ipecac powder and Ipecac stems showed remarkable ionized ion peaks of emetine and cephaeline at m/z 481 and 467, while spectra of leaves showed ionized ion peaks of other alkaloids at m/z 479 and 465. Furthermore, the quantitative analysis was also demonstrated with good reproducibility and linear relationship. CONCLUSION: The mode can play a role in rapid determination of medicinal materials and prepared herbal medicines and real-time rapid quantitative analysis on intermediates and preparations.\n
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\n \n\n \n \n \n \n \n \n Reusable Solid Phase Microextraction Coating for Direct Immersion Whole Blood Analysis and Extracted Blood Spot Sampling Coupled with LC-MS/MS and DART-MS/MS.\n \n \n \n \n\n\n \n Mirnaghi, F.; and Pawliszyn, J.\n\n\n \n\n\n\n Anal. Chem.. August 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ReusablePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{mirnaghi_reusable_2012,\n\ttitle = {Reusable {Solid} {Phase} {Microextraction} {Coating} for {Direct} {Immersion} {Whole} {Blood} {Analysis} and {Extracted} {Blood} {Spot} {Sampling} {Coupled} with {LC}-{MS}/{MS} and {DART}-{MS}/{MS}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3018229},\n\tdoi = {10.1021/ac3018229},\n\tabstract = {Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12\\% using external calibration and 4\\% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.\nThree different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12\\% using external calibration and 4\\% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.},\n\tjournal = {Anal. Chem.},\n\tauthor = {Mirnaghi, Fatemeh and Pawliszyn, Janusz},\n\tmonth = aug,\n\tyear = {2012},\n}\n\n\n\n
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\n\n\n
\n Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12% using external calibration and 4% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam. Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12% using external calibration and 4% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.\n
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\n \n\n \n \n \n \n \n Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization.\n \n \n \n\n\n \n He, X.; Xie, Z.; Gao, Y.; Hu, W.; Guo, L.; Jiang, L.; and Lu, Y.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 67: 64–73. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{he_mass_2012,\n\ttitle = {Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization},\n\tvolume = {67},\n\tabstract = {Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {He, X.N. and Xie, Z.Q. and Gao, Y. and Hu, W. and Guo, L.B. and Jiang, L. and Lu, Y.F.},\n\tyear = {2012},\n\tkeywords = {LI-TOFMS; DART; Laser-induced plasma; LIBS; AccuTOF},\n\tpages = {64--73},\n}\n\n\n\n
\n
\n\n\n
\n Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.\n
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\n \n\n \n \n \n \n \n \n Assessing the capabilities of direct analysis in real time mass spectrometry for 5-hydroxymethylfurfural quantitation in honey.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 314(0): 22–32. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AssessingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{chernetsova_assessing_2012,\n\ttitle = {Assessing the capabilities of direct analysis in real time mass spectrometry for 5-hydroxymethylfurfural quantitation in honey},\n\tvolume = {314},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380612000280},\n\tdoi = {10.1016/j.ijms.2012.01.012},\n\tabstract = {The limitations of direct analysis in real time mass spectrometry (DART-MS) were shown with the example of 5-hydroxymethylfurfural (HMF) quantitation in honey. An accurate analyte quantitation was impossible because the carbohydrate matrix partially degraded to the analyte in the ionization region. However, at a decreased DART temperature of 150\\&\\#xa0;°C, the DART-MS screening was possible using two spiked reference samples. The influence of instrumental parameters on the composition of the DART mass spectra for HMF and carbohydrates was investigated. Also, first data on scanning surface analysis with DART-MS were obtained giving rise for further studies in this direction.},\n\tnumber = {0},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tyear = {2012},\n\tkeywords = {5-Hydroxymethylfurfural, Carbohydrates, Direct analysis in real time mass spectrometry, Direct analysis in real time mass spectrometry; Honey; 5-Hydroxymethylfurfural; HMF; Carbohydrates; Screening assays, HMF, Honey, Screening},\n\tpages = {22--32},\n}\n\n\n\n
\n
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\n The limitations of direct analysis in real time mass spectrometry (DART-MS) were shown with the example of 5-hydroxymethylfurfural (HMF) quantitation in honey. An accurate analyte quantitation was impossible because the carbohydrate matrix partially degraded to the analyte in the ionization region. However, at a decreased DART temperature of 150 °C, the DART-MS screening was possible using two spiked reference samples. The influence of instrumental parameters on the composition of the DART mass spectra for HMF and carbohydrates was investigated. Also, first data on scanning surface analysis with DART-MS were obtained giving rise for further studies in this direction.\n
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\n \n\n \n \n \n \n \n \n Corona Discharge Ion Mobility Spectrometry with Orthogonal Acceleration Time of Flight Mass Spectrometry for Monitoring of Volatile Organic Compounds.\n \n \n \n \n\n\n \n Sabo, M.; and Matejčík, Š.\n\n\n \n\n\n\n Analytical Chemistry, 84(12): 5327–5334. May 2012.\n \n\n\n\n
\n\n\n\n \n \n \"CoronaPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sabo_corona_2012,\n\ttitle = {Corona {Discharge} {Ion} {Mobility} {Spectrometry} with {Orthogonal} {Acceleration} {Time} of {Flight} {Mass} {Spectrometry} for {Monitoring} of {Volatile} {Organic} {Compounds}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac300722s},\n\tdoi = {10.1021/ac300722s},\n\tabstract = {We demonstrate the application of corona discharge ion mobility spectrometry with orthogonal acceleration time of flight mass spectrometry (CD IMS-oaTOF) for volatile organic compounds (VOCs) monitoring. Two-dimensional (2D) IMS-oaTOF spectra of VOCs were recorded in nearly real time. The corona discharge atmospheric pressure chemical ionization (APCI) source was operated in positive mode in nitrogen and air. The CD ion source generates in air H3O+(H2O)n and NO+. The NO+ offers additional possibility for selective ionization and for an increase of the sensitivity of monoaromatic compounds. In addition to H3O+(H2O)n and NO+, we have carried out ionization of VOCs using acetone as dopant gas ((CH3)2COH+). Sixteen model VOCs (tetrahydrofuran, butanol, n-propanol, iso-propano, acetone, methanol, ethanol, toluene, benzene, amomnia, dioxan, triethylamine, acetonitrile, formaldehyde, m-xylene, 2,2,2-trifluoroethylamine) were tested using these ionization techniques.},\n\tnumber = {12},\n\turldate = {2012-11-08},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Sabo, Martin and Matejčík, Štefan},\n\tmonth = may,\n\tyear = {2012},\n\tpages = {5327--5334},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n We demonstrate the application of corona discharge ion mobility spectrometry with orthogonal acceleration time of flight mass spectrometry (CD IMS-oaTOF) for volatile organic compounds (VOCs) monitoring. Two-dimensional (2D) IMS-oaTOF spectra of VOCs were recorded in nearly real time. The corona discharge atmospheric pressure chemical ionization (APCI) source was operated in positive mode in nitrogen and air. The CD ion source generates in air H3O+(H2O)n and NO+. The NO+ offers additional possibility for selective ionization and for an increase of the sensitivity of monoaromatic compounds. In addition to H3O+(H2O)n and NO+, we have carried out ionization of VOCs using acetone as dopant gas ((CH3)2COH+). Sixteen model VOCs (tetrahydrofuran, butanol, n-propanol, iso-propano, acetone, methanol, ethanol, toluene, benzene, amomnia, dioxan, triethylamine, acetonitrile, formaldehyde, m-xylene, 2,2,2-trifluoroethylamine) were tested using these ionization techniques.\n
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\n \n\n \n \n \n \n \n \n Rapid classification of White Oak (Quercus alba) and Northern Red Oak (Quercus rubra) by using pyrolysis direct analysis in real time (DART™) and time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Cody, R. B.; Dane, A. J.; Dawson-Andoh, B.; Adedipe, E. O.; and Nkansah, K.\n\n\n \n\n\n\n Journal of Analytical and Applied Pyrolysis, 95(0): 134–137. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cody_rapid_2012,\n\ttitle = {Rapid classification of {White} {Oak} ({Quercus} alba) and {Northern} {Red} {Oak} ({Quercus} rubra) by using pyrolysis direct analysis in real time ({DART}™) and time-of-flight mass spectrometry},\n\tvolume = {95},\n\tissn = {0165-2370},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0165237012000204},\n\tdoi = {10.1016/j.jaap.2012.01.018},\n\tabstract = {Thirty-four samples of Red Oak (Quercus rubra) and fifty samples of White Oak (Quercus alba) were analyzed by pyrolytic direct analysis in real time (DART) ionization coupled with time-of-flight (TOF) mass spectrometry. Although significant differences were not observed in the positive-ion mass spectra, the negative-ion mass spectra showed clear differences. Principal component analysis (PCA) and linear discriminant analysis (LDA) were calculated for the relative abundances of 11 peaks in the negative-ion mass spectra including peaks tentatively assigned as representing deprotonated acetic, malic, gallic, dimethoxycinnamic, and ellagic acids. Leave one out cross validation (LOOCV) was 100\\% successful in classifying the samples for both PCA and LDA.},\n\tnumber = {0},\n\tjournal = {Journal of Analytical and Applied Pyrolysis},\n\tauthor = {Cody, Robert B. and Dane, A. John and Dawson-Andoh, Benjamin and Adedipe, Emmanuel Oluwatosin and Nkansah, Kofi},\n\tyear = {2012},\n\tkeywords = {AccuTOF, Ambient ionization, Direct analysis in real time, Red oak, Time-of-flight, White oak},\n\tpages = {134--137},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n Thirty-four samples of Red Oak (Quercus rubra) and fifty samples of White Oak (Quercus alba) were analyzed by pyrolytic direct analysis in real time (DART) ionization coupled with time-of-flight (TOF) mass spectrometry. Although significant differences were not observed in the positive-ion mass spectra, the negative-ion mass spectra showed clear differences. Principal component analysis (PCA) and linear discriminant analysis (LDA) were calculated for the relative abundances of 11 peaks in the negative-ion mass spectra including peaks tentatively assigned as representing deprotonated acetic, malic, gallic, dimethoxycinnamic, and ellagic acids. Leave one out cross validation (LOOCV) was 100% successful in classifying the samples for both PCA and LDA.\n
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\n \n\n \n \n \n \n \n \n Rapid qualitative analysis of phthalates added to food and nutraceutical products by direct analysis in real time/orbitrap mass spectrometry.\n \n \n \n \n\n\n \n Self, R. L.; and Wu, W.\n\n\n \n\n\n\n Food Control, 25(1): 13–16. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{self_rapid_2012,\n\ttitle = {Rapid qualitative analysis of phthalates added to food and nutraceutical products by direct analysis in real time/orbitrap mass spectrometry},\n\tvolume = {25},\n\tissn = {0956-7135},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0956713511004178},\n\tdoi = {10.1016/j.foodcont.2011.10.013},\n\tabstract = {A recent food safety issue involves the contamination of a broad range of food and nutraceutical products from Taiwan with industrial plasticizers. Among the suspected contaminants are selected phthalic acid esters, such as benzyl butyl phthalate, dibutyl phthalate, diisobutyl phthalate, di-2-ethylhexyl phthalate, di-n-octyl phthalate, diisononyl phthalate, and diisodecyl phthalate. Described in this study is an analytical method to rapidly qualitatively analyze these compounds in a wide variety of food and nutraceutical matrices suspected in this crisis. The method utilizes direct analysis in real time (DART) ionization coupled to a Thermo Exactive orbitrap mass spectrometer. The method is shown to be capable of detecting these compounds at levels greater than 1.0 μg/mL in all food products examined and 0.5 μg/mL in most of the samples tested. In the nutraceutical samples tested, the compounds were detected at levels of 50 μg/g for all samples with some detected as low as 1.0 μg/g.},\n\tnumber = {1},\n\tjournal = {Food Control},\n\tauthor = {Self, Randy L. and Wu, Wen-Hsin},\n\tyear = {2012},\n\tkeywords = {Direct analysis in real time (DART), Food safety, Orbitrap, Phthalates, Phthalates; Direct analysis in real time (DART); Orbitrap; Food safety},\n\tpages = {13--16},\n}\n\n\n\n
\n
\n\n\n
\n A recent food safety issue involves the contamination of a broad range of food and nutraceutical products from Taiwan with industrial plasticizers. Among the suspected contaminants are selected phthalic acid esters, such as benzyl butyl phthalate, dibutyl phthalate, diisobutyl phthalate, di-2-ethylhexyl phthalate, di-n-octyl phthalate, diisononyl phthalate, and diisodecyl phthalate. Described in this study is an analytical method to rapidly qualitatively analyze these compounds in a wide variety of food and nutraceutical matrices suspected in this crisis. The method utilizes direct analysis in real time (DART) ionization coupled to a Thermo Exactive orbitrap mass spectrometer. The method is shown to be capable of detecting these compounds at levels greater than 1.0 μg/mL in all food products examined and 0.5 μg/mL in most of the samples tested. In the nutraceutical samples tested, the compounds were detected at levels of 50 μg/g for all samples with some detected as low as 1.0 μg/g.\n
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\n \n\n \n \n \n \n \n \n Sensitivity “Hot Spots” in the Direct Analysis in Real Time Mass Spectrometry of Nerve Agent Simulants.\n \n \n \n \n\n\n \n Harris, G. A.; Falcone, C. E.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 23(1): 153–161. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"SensitivityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{harris_sensitivity_2012,\n\ttitle = {Sensitivity “{Hot} {Spots}” in the {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} of {Nerve} {Agent} {Simulants}},\n\tvolume = {23},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-011-0276-8},\n\tdoi = {10.1007/s13361-011-0276-8},\n\tabstract = {Presented here are findings describing the spatial-dependence of sensitivity and ion suppression effects observed with direct analysis in real time (DART). Continuous liquid infusion of dimethyl methyl phosphonate (DMMP) revealed that ion yield “hot spots” did not always correspond with the highest temperature regions within the ionization space. For instance, at lower concentrations (50 and 100 μM), the highest sensitivities were in the middle of the ionization region at 200 °C where there was a shorter ion transport distance, and the heat available to thermally desorb neutrals was moderate. Conversely, at higher DMMP concentrations (500 μM), the highest ion yield was directly in front of the DART source at 200 °C where it was exposed to the highest temperature for thermal desorption. In matching experiments, differential analyte volatility was observed to play a smaller role in relative ion suppression than differences in proton affinity and the relative sampling positions of analytes. At equimolar concentrations sampled at the same position, suppression was as high as 26× between isoquinoline (proton affinity 952 kJ mol–1, boiling point 242 °C) and p-anisidine (proton affinity 900 kJ mol–1, boiling point 243 °C). This effect was exacerbated when sampling positions of the two analytes differed, reaching levels of relative suppression as high as 4543.0× ± 1406.0. To mitigate this level of relative ion suppression, sampling positions and molar ratios of the analytes were modified to create conditions in which ion suppression was negligible.},\n\tnumber = {1},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Harris, Glenn A. and Falcone, Caitlin E. and Fernández, Facundo M.},\n\tyear = {2012},\n\tkeywords = {Biomedical and Life Sciences, Direct analysis in real time (DART); Ambient MS; Ionization fundamentals; Ion suppression; Nerve agent simulants; AccuTOF},\n\tpages = {153--161},\n}\n\n\n\n
\n
\n\n\n
\n Presented here are findings describing the spatial-dependence of sensitivity and ion suppression effects observed with direct analysis in real time (DART). Continuous liquid infusion of dimethyl methyl phosphonate (DMMP) revealed that ion yield “hot spots” did not always correspond with the highest temperature regions within the ionization space. For instance, at lower concentrations (50 and 100 μM), the highest sensitivities were in the middle of the ionization region at 200 °C where there was a shorter ion transport distance, and the heat available to thermally desorb neutrals was moderate. Conversely, at higher DMMP concentrations (500 μM), the highest ion yield was directly in front of the DART source at 200 °C where it was exposed to the highest temperature for thermal desorption. In matching experiments, differential analyte volatility was observed to play a smaller role in relative ion suppression than differences in proton affinity and the relative sampling positions of analytes. At equimolar concentrations sampled at the same position, suppression was as high as 26× between isoquinoline (proton affinity 952 kJ mol–1, boiling point 242 °C) and p-anisidine (proton affinity 900 kJ mol–1, boiling point 243 °C). This effect was exacerbated when sampling positions of the two analytes differed, reaching levels of relative suppression as high as 4543.0× ± 1406.0. To mitigate this level of relative ion suppression, sampling positions and molar ratios of the analytes were modified to create conditions in which ion suppression was negligible.\n
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\n \n\n \n \n \n \n \n \n Rapid analysis of caffeine in various coffee samples employing direct analysis in real-time ionization–high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Danhelova, H.; Hradecky, J.; Prinosilova, S.; Cajka, T.; Riddellova, K.; Vaclavik, L.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–7. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{danhelova_rapid_2012,\n\ttitle = {Rapid analysis of caffeine in various coffee samples employing direct analysis in real-time ionization–high-resolution mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5820-2},\n\tabstract = {The development and use of a fast method employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) for the quantitative analysis of caffeine in various coffee samples has been demonstrated in this study. A simple sample extraction procedure employing hot water was followed by direct, high-throughput (\\&lt;1 min per run) examination of the extracts spread on a glass rod under optimized conditions of ambient mass spectrometry, without any prior chromatographic separation. For quantification of caffeine using DART-TOFMS, an external calibration was used. Isotopically labeled caffeine was used to compensate for the variations of the ion intensities of caffeine signal. Recoveries of the DART-TOFMS method were 97\\% for instant coffee at the spiking levels of 20 and 60 mg/g, respectively, while for roasted ground coffee, the obtained values were 106\\% and 107\\% at the spiking levels of 10 and 30 mg/g, respectively. The repeatability of the whole analytical procedure (expressed as relative standard deviation, RSD, \\%) was \\&lt;5\\% for all tested spiking levels and matrices. Since the linearity range of the method was relatively narrow (two orders of magnitude), an optimization of sample dilution prior the DART-TOFMS measurement to avoid saturation of the detector was needed.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Danhelova, Hana and Hradecky, Jaromir and Prinosilova, Sarka and Cajka, Tomas and Riddellova, Katerina and Vaclavik, Lukas and Hajslova, Jana},\n\tyear = {2012},\n\tpages = {1--7},\n}\n\n\n\n
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\n The development and use of a fast method employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) for the quantitative analysis of caffeine in various coffee samples has been demonstrated in this study. A simple sample extraction procedure employing hot water was followed by direct, high-throughput (<1 min per run) examination of the extracts spread on a glass rod under optimized conditions of ambient mass spectrometry, without any prior chromatographic separation. For quantification of caffeine using DART-TOFMS, an external calibration was used. Isotopically labeled caffeine was used to compensate for the variations of the ion intensities of caffeine signal. Recoveries of the DART-TOFMS method were 97% for instant coffee at the spiking levels of 20 and 60 mg/g, respectively, while for roasted ground coffee, the obtained values were 106% and 107% at the spiking levels of 10 and 30 mg/g, respectively. The repeatability of the whole analytical procedure (expressed as relative standard deviation, RSD, %) was <5% for all tested spiking levels and matrices. Since the linearity range of the method was relatively narrow (two orders of magnitude), an optimization of sample dilution prior the DART-TOFMS measurement to avoid saturation of the detector was needed.\n
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\n \n\n \n \n \n \n \n \n The evaluation and implementation of direct analysis in real time quadrupole time-of-flight tandem mass spectrometry for characterization and quantification of geniposide in Re Du Ning Injections.\n \n \n \n \n\n\n \n Li, Y.; Wang, Z.; Bi, Y.; Ding, G.; Sheng, L.; Qin, J.; Xiao, W.; Li, J.; Wang, Y.; and Wang, X.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(11): 1377–1384. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{li_evaluation_2012,\n\ttitle = {The evaluation and implementation of direct analysis in real time quadrupole time-of-flight tandem mass spectrometry for characterization and quantification of geniposide in {Re} {Du} {Ning} {Injections}},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6235},\n\tdoi = {10.1002/rcm.6235},\n\tabstract = {RATIONALE\nThe Direct Analysis in Real Time (DART) ionization source coupled with a quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples from complex Chinese herbal preparations without sample cleanup or chromatographic separation. \nMETHODS\nIn this work, a method based on DART/Q-TOF MS/MS has been developed for rapid determination of geniposide present in 'Re Du Ning Injections', a Chinese herbal preparation. The method has been evaluated for both qualitative and quantitative analysis of geniposide in Re Du Ning Injections. \nRESULTS\nVariables including polarity for ion detection, DART gas heater temperature, matrix effect and sample presentation speed were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision and accuracy by using both internal and external standards. A comparison of the results obtained using the DART-based method was made with those obtained using a conventional High-Performance Liquid Chromatography/Diode-Array Detector (HPLC/DAD) by analyzing geniposide in four batches of Re Du Ning Injections. \nCONCLUSIONS\nThe DART/Q-TOF MS/MS-based method provides a rapid, efficient and powerful method to analyze compounds from complex Traditional Chinese Medicines with limited sample preparation thus reducing time and complexity of quality control for those materials. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {11},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Li, Yan-Jing and Wang, Zhen-Zhong and Bi, Yu-An and Ding, Gang and Sheng, Long-Sheng and Qin, Jian-Ping and Xiao, Wei and Li, Jia-Chun and Wang, Yong-Xiang and Wang, Xue},\n\tyear = {2012},\n\tpages = {1377--1384},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE The Direct Analysis in Real Time (DART) ionization source coupled with a quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples from complex Chinese herbal preparations without sample cleanup or chromatographic separation. METHODS In this work, a method based on DART/Q-TOF MS/MS has been developed for rapid determination of geniposide present in 'Re Du Ning Injections', a Chinese herbal preparation. The method has been evaluated for both qualitative and quantitative analysis of geniposide in Re Du Ning Injections. RESULTS Variables including polarity for ion detection, DART gas heater temperature, matrix effect and sample presentation speed were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision and accuracy by using both internal and external standards. A comparison of the results obtained using the DART-based method was made with those obtained using a conventional High-Performance Liquid Chromatography/Diode-Array Detector (HPLC/DAD) by analyzing geniposide in four batches of Re Du Ning Injections. CONCLUSIONS The DART/Q-TOF MS/MS-based method provides a rapid, efficient and powerful method to analyze compounds from complex Traditional Chinese Medicines with limited sample preparation thus reducing time and complexity of quality control for those materials. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Evaluating agarwood products for 2-(2-phenylethyl)chromones using direct analysis in real time time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Lancaster, C.; and Espinoza, E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(23): 2649–2656. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lancaster_evaluating_2012,\n\ttitle = {Evaluating agarwood products for 2-(2-phenylethyl)chromones using direct analysis in real time time-of-flight mass spectrometry},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6388},\n\tdoi = {10.1002/rcm.6388},\n\tabstract = {RATIONALE \n \nAgarwood is the resinous material harvested from threatened Aquilaria species. We investigated how many protonated 2-(2-phenylethyl)chromone ions were sufficient to make an accurate identification of agarwood. Analysis of 125 reference samples was carried out by direct analysis in real time time-of-flight mass spectrometry (DART-TOFMS). The identification criteria developed were applied to commercial samples. \n \nMETHODS \n \nWe developed a technique that uses DART-TOFMS to detect 2-(2-phenylethyl)chromones. Additionally, we developed a set of criteria to infer the presence of Aquilaria in commercial samples of wood chips, sawdust, incense and liquids. Additionally, we examined other fragrant woods to determine if they contained a chemical profile that could be falsely identified as agarwood. \n \nRESULTS \n \nAnalysis of reference and commercial samples (n = 151) established that DART-TOFMS provides reproducible mass spectra that are useful for inferring the genus of suspected agarwood samples. We identified 17 ions which were useful for authenticating agarwood. Comparison of the number of chromone ions detected by direct analyses of dry wood chips versus eluent analysis of methanol-extracted wood showed that results were similar. Lastly, analysis of 25 scented woods of other species did not give false positive results. \n \nCONCLUSIONS \n \nReliable criteria for inferring agarwood include the presence of diagnostic ions, m/z 319.118 or 349.129, in addition to ten or more ions characteristic of 2-(2-phenylethyl)chromones. Wood anatomists challenged with difficult morphological identifications can use this tool to assist in their analyses. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {23},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Lancaster, Cady and Espinoza, Edgard},\n\tyear = {2012},\n\tpages = {2649--2656},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n RATIONALE Agarwood is the resinous material harvested from threatened Aquilaria species. We investigated how many protonated 2-(2-phenylethyl)chromone ions were sufficient to make an accurate identification of agarwood. Analysis of 125 reference samples was carried out by direct analysis in real time time-of-flight mass spectrometry (DART-TOFMS). The identification criteria developed were applied to commercial samples. METHODS We developed a technique that uses DART-TOFMS to detect 2-(2-phenylethyl)chromones. Additionally, we developed a set of criteria to infer the presence of Aquilaria in commercial samples of wood chips, sawdust, incense and liquids. Additionally, we examined other fragrant woods to determine if they contained a chemical profile that could be falsely identified as agarwood. RESULTS Analysis of reference and commercial samples (n = 151) established that DART-TOFMS provides reproducible mass spectra that are useful for inferring the genus of suspected agarwood samples. We identified 17 ions which were useful for authenticating agarwood. Comparison of the number of chromone ions detected by direct analyses of dry wood chips versus eluent analysis of methanol-extracted wood showed that results were similar. Lastly, analysis of 25 scented woods of other species did not give false positive results. CONCLUSIONS Reliable criteria for inferring agarwood include the presence of diagnostic ions, m/z 319.118 or 349.129, in addition to ten or more ions characteristic of 2-(2-phenylethyl)chromones. Wood anatomists challenged with difficult morphological identifications can use this tool to assist in their analyses. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Rapid control of Chinese star anise fruits and teas for neurotoxic anisatin by Direct Analysis in Real Time (DART) high resolution mass spectrometry.\n \n \n \n \n\n\n \n Shen, Y.; van Beek, T. A.; Claassen, F. W.; Zuilhof, H.; Chen, B.; and Nielen, M. W.\n\n\n \n\n\n\n Journal of Chromatography A, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{shen_rapid_2012,\n\ttitle = {Rapid control of {Chinese} star anise fruits and teas for neurotoxic anisatin by {Direct} {Analysis} in {Real} {Time} ({DART}) high resolution mass spectrometry},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967312004712},\n\tdoi = {10.1016/j.chroma.2012.03.058},\n\tabstract = {After ingestion, products containing Chinese star anise (Illicium verum) contaminated or adulterated with Japanese star anise (Illicium anisatum) or other Illicium species, can cause epilepsy, hallucinations, and nausea due to the rare neurotoxic sesquiterpene dilactone anisatin that is present in Japanese star anise. Thus a rapid, simple and unambiguous method for distinguishing between the morphologically similar Chinese star anise and toxic Japanese star anise is important for food safety issues. Direct Analysis in Real Time (DART) ambient ionisation coupled with orbitrap high resolution mass spectrometry allowed the recording of mass spectra of anisatin in solid star anise fruits in seconds without any prior sample pretreatment. Spectra could be obtained in both positive ([M+NH4]+ at m/z 346.1496, C15H24NO8) and negative mode ([M−H]− at m/z 327.1074, C15H19O8) and gave the same outcome provided a mass resolution of at least 27,000 is available. The anisatin signal was typically \\&gt;1000 times larger in Japanese star anise than in Chinese star anise thus allowing an unequivocal qualitative determination. Herbal teas containing star anise fragments too small to be visually recognised, could be analysed by preparing a tea in 6\\&\\#xa0;min and subsequently sampling ∼2\\&\\#xa0;μL of tea on a glass rod. None of the 8 investigated retail teas contained significant quantities of anisatin. Spiking a complex herbal tea containing Chinese star anise with an equally concentrated tea prepared from Japanese star anise provided a linear calibration curve (R2\\&\\#xa0;≥\\&\\#xa0;0.995) after normalising on a native constituent of Chinese star anise (standard addition method). This showed that adulteration down to 1\\% (w/w) is still measurable. Compared with existing PCR, TLC, GC–MS and HPLC–ESI-MS/MS procedures, the proposed DART–HRMS procedure is faster and simpler and moreover measures the actual biotoxin.},\n\tnumber = {0},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Shen, Yao and van Beek, Teris A. and Claassen, Frank W. and Zuilhof, Han and Chen, Bo and Nielen, Michel W.F.},\n\tyear = {2012},\n\tkeywords = {Anisatin, Biotoxin, DART, Food analysis, Star anise, mass spectrometry},\n}\n\n\n\n
\n
\n\n\n
\n After ingestion, products containing Chinese star anise (Illicium verum) contaminated or adulterated with Japanese star anise (Illicium anisatum) or other Illicium species, can cause epilepsy, hallucinations, and nausea due to the rare neurotoxic sesquiterpene dilactone anisatin that is present in Japanese star anise. Thus a rapid, simple and unambiguous method for distinguishing between the morphologically similar Chinese star anise and toxic Japanese star anise is important for food safety issues. Direct Analysis in Real Time (DART) ambient ionisation coupled with orbitrap high resolution mass spectrometry allowed the recording of mass spectra of anisatin in solid star anise fruits in seconds without any prior sample pretreatment. Spectra could be obtained in both positive ([M+NH4]+ at m/z 346.1496, C15H24NO8) and negative mode ([M−H]− at m/z 327.1074, C15H19O8) and gave the same outcome provided a mass resolution of at least 27,000 is available. The anisatin signal was typically >1000 times larger in Japanese star anise than in Chinese star anise thus allowing an unequivocal qualitative determination. Herbal teas containing star anise fragments too small to be visually recognised, could be analysed by preparing a tea in 6 min and subsequently sampling ∼2 μL of tea on a glass rod. None of the 8 investigated retail teas contained significant quantities of anisatin. Spiking a complex herbal tea containing Chinese star anise with an equally concentrated tea prepared from Japanese star anise provided a linear calibration curve (R2 ≥ 0.995) after normalising on a native constituent of Chinese star anise (standard addition method). This showed that adulteration down to 1% (w/w) is still measurable. Compared with existing PCR, TLC, GC–MS and HPLC–ESI-MS/MS procedures, the proposed DART–HRMS procedure is faster and simpler and moreover measures the actual biotoxin.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of synthetic cannabinoids in herbal samples via direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Musah, R. A.; Domin, M. A.; Walling, M. A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1109–1114. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{musah_rapid_2012,\n\ttitle = {Rapid identification of synthetic cannabinoids in herbal samples via direct analysis in real time mass spectrometry},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6205},\n\tdoi = {10.1002/rcm.6205},\n\tabstract = {RATIONALE\nDozens of synthetic cannabinoid analogs purposefully meant to circumvent legal restrictions associated with controlled substances continue to be manufactured and promoted as producing 'legal highs'. These designer drugs are difficult to identify in conventional drug screens not only because routine protocols have not been developed for their detection, but also because their association with complex plant matrices during manufacture generally requires labor-intensive extraction and sample preparation for analysis. To address this new and important challenge in forensic chemistry, Direct Analysis in Real Time Mass Spectrometry (DART-MS) is applied to the analysis of these designer drugs. \nMETHODS\nDART-MS was employed to sample synthetic cannabinoids directly on botanical matrices. The ambient ionization method associated with DART-MS permitted the analysis of solid herbal samples directly, without the need for extraction or sample preparation. The high mass resolution time-of-flight analyzer allowed identification of these substances despite their presence within a complex matrix and enabled differentiation of closely related analogs. \nRESULTS\nDART-MS was performed to rapidly identify the synthetic cannabinoids AM-251 and JWH-015. For each cannabinoid, three hundred micrograms (300 µg) of material was easily detected within an excess of background matrix by mass. \nCONCLUSIONS\nNew variations of herbal blends containing a wide range of base components and laced with synthetic cannabinoids are being produced, making their presence difficult to track by conventional methods. DART-MS permits rapid identification of trace synthetic cannabinoids within complex biological matrices, with excellent sensitivity and specificity compared with standard methods. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Domin, Marek A. and Walling, Maureen A. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1109--1114},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n RATIONALE Dozens of synthetic cannabinoid analogs purposefully meant to circumvent legal restrictions associated with controlled substances continue to be manufactured and promoted as producing 'legal highs'. These designer drugs are difficult to identify in conventional drug screens not only because routine protocols have not been developed for their detection, but also because their association with complex plant matrices during manufacture generally requires labor-intensive extraction and sample preparation for analysis. To address this new and important challenge in forensic chemistry, Direct Analysis in Real Time Mass Spectrometry (DART-MS) is applied to the analysis of these designer drugs. METHODS DART-MS was employed to sample synthetic cannabinoids directly on botanical matrices. The ambient ionization method associated with DART-MS permitted the analysis of solid herbal samples directly, without the need for extraction or sample preparation. The high mass resolution time-of-flight analyzer allowed identification of these substances despite their presence within a complex matrix and enabled differentiation of closely related analogs. RESULTS DART-MS was performed to rapidly identify the synthetic cannabinoids AM-251 and JWH-015. For each cannabinoid, three hundred micrograms (300 µg) of material was easily detected within an excess of background matrix by mass. CONCLUSIONS New variations of herbal blends containing a wide range of base components and laced with synthetic cannabinoids are being produced, making their presence difficult to track by conventional methods. DART-MS permits rapid identification of trace synthetic cannabinoids within complex biological matrices, with excellent sensitivity and specificity compared with standard methods. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Detection of nitro-organic and peroxide explosives in latent fingermarks by DART- and SALDI-TOF-mass spectrometry.\n \n \n \n \n\n\n \n Rowell, F.; Seviour, J.; Lim, A. Y.; Elumbaring-Salazar, C. G.; Loke, J.; and Ma, J.\n\n\n \n\n\n\n Forensic Science International, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rowell_detection_2012,\n\ttitle = {Detection of nitro-organic and peroxide explosives in latent fingermarks by {DART}- and {SALDI}-{TOF}-mass spectrometry},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073812001703},\n\tdoi = {10.1016/j.forsciint.2012.04.007},\n\tabstract = {The ability of two mass spectrometric methods, surface-assisted laser desorption/ionization-time of flight-mass spectrometry (SALDI-TOF-MS) and direct analysis in real time (DART-MS), to detect the presence of seven common explosives (six nitro-organic- and one peroxide-type) in spiked latent fingermarks has been examined. It was found that each explosive could be detected with nanogram sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-TOF-MS for marks pre-dusted with one type of commercial black magnetic powder. These explosives also could be detected in latent marks lifted from six common surfaces (paper, plastic bag, metal drinks can, wood laminate, adhesive tape and white ceramic tile) whereas no explosive could be detected in equivalent pre-dusted marks on the surface of a commercial lifting tape by the DART-MS method due to high background interference from the tape material. The presence of TNT and Tetryl could be detected in pre-dusted latent fingermarks on a commercial lifting tape for up to 29 days sealed and stored under ambient conditions.},\n\tnumber = {0},\n\tjournal = {Forensic Science International},\n\tauthor = {Rowell, Frederick and Seviour, John and Lim, Angelina Yimei and Elumbaring-Salazar, Cheryl Grace and Loke, Jason and Ma, Jan},\n\tyear = {2012},\n\tkeywords = {Contact residues, DART-mass spectrometry, Dusting powder, Lifted latent fingermarks, Nitro-organic and peroxide explosives, SALDI-TOF-mass spectrometry, Stability},\n}\n\n\n\n
\n
\n\n\n
\n The ability of two mass spectrometric methods, surface-assisted laser desorption/ionization-time of flight-mass spectrometry (SALDI-TOF-MS) and direct analysis in real time (DART-MS), to detect the presence of seven common explosives (six nitro-organic- and one peroxide-type) in spiked latent fingermarks has been examined. It was found that each explosive could be detected with nanogram sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-TOF-MS for marks pre-dusted with one type of commercial black magnetic powder. These explosives also could be detected in latent marks lifted from six common surfaces (paper, plastic bag, metal drinks can, wood laminate, adhesive tape and white ceramic tile) whereas no explosive could be detected in equivalent pre-dusted marks on the surface of a commercial lifting tape by the DART-MS method due to high background interference from the tape material. The presence of TNT and Tetryl could be detected in pre-dusted latent fingermarks on a commercial lifting tape for up to 29 days sealed and stored under ambient conditions.\n
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\n \n\n \n \n \n \n \n \n Normal phase LC coupled with DART-MS for the chiral analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol and jasmonic acid.\n \n \n \n \n\n\n \n Chang, C.; Zhou, Z.; Yang, Y.; Han, Y.; Bai, Y.; Zhao, M.; and Liu, H.\n\n\n \n\n\n\n ELECTROPHORESIS,n/a. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"NormalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{chang_normal_2012,\n\ttitle = {Normal phase {LC} coupled with {DART}-{MS} for the chiral analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol and jasmonic acid},\n\tissn = {1522-2683},\n\turl = {http://dx.doi.org/10.1002/elps.201200122},\n\tdoi = {10.1002/elps.201200122},\n\tabstract = {Normal phase chiral liquid chromatography has been proved to be powerful and efficient for chiral separation. However, the combination of normal phase liquid chromatography (NPLC) with electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) is restricted by the poor ionization efficiency and thermal fragmentations of analytes to some extent. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization technique that shows high ionization efficiency of the analytes in the normal phase mobile phase. In this work, we coupled chiral NPLC to DART-MS for the chiral qualitative and quantitative analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) and jasmonic acid (JA) enantiomers. Satisfactory results for the enantiomers of NNAL operating in the positive mode were obtained in terms of linearity (2.5–250 μg/mL, R2, 0.999–1.000) and repeatability (25 μg/mL, RSDs, 4.7–5.6\\%). Moreover, chiral NPLC-DART-MS resulted in the simultaneous chiral separation and detection of JA enantiomers, which are very difficult to be analyzed by NPLC-ESI-MS and NPLC-APCI-MS. Compared with the coupled techniques of NPLC-ESI-MS and NPLC-APCI-MS, NPLC-DART-MS showed advantages in increasing the ionization efficiency and reducing the in-source thermal fragmentation of analytes.},\n\tjournal = {ELECTROPHORESIS},\n\tauthor = {Chang, Cuilan and Zhou, Zhigui and Yang, Youyou and Han, Yehua and Bai, Yu and Zhao, Meiping and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol, Chiral separation, DART-MS, Jasmonic acid, NPLC},\n\tpages = {n/a},\n}\n\n\n\n
\n
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\n Normal phase chiral liquid chromatography has been proved to be powerful and efficient for chiral separation. However, the combination of normal phase liquid chromatography (NPLC) with electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) is restricted by the poor ionization efficiency and thermal fragmentations of analytes to some extent. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization technique that shows high ionization efficiency of the analytes in the normal phase mobile phase. In this work, we coupled chiral NPLC to DART-MS for the chiral qualitative and quantitative analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) and jasmonic acid (JA) enantiomers. Satisfactory results for the enantiomers of NNAL operating in the positive mode were obtained in terms of linearity (2.5–250 μg/mL, R2, 0.999–1.000) and repeatability (25 μg/mL, RSDs, 4.7–5.6%). Moreover, chiral NPLC-DART-MS resulted in the simultaneous chiral separation and detection of JA enantiomers, which are very difficult to be analyzed by NPLC-ESI-MS and NPLC-APCI-MS. Compared with the coupled techniques of NPLC-ESI-MS and NPLC-APCI-MS, NPLC-DART-MS showed advantages in increasing the ionization efficiency and reducing the in-source thermal fragmentation of analytes.\n
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\n \n\n \n \n \n \n \n \n Identification, extraction and quantification of the synthetic cannabinoid JWH-018 from commercially available herbal marijuana alternatives.\n \n \n \n \n\n\n \n Dunham, S. J.; Hooker, P. D.; and Hyde, R. M.\n\n\n \n\n\n\n Forensic science international, 223(1): 241–244. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"Identification,Paper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{dunham_identification_2012,\n\ttitle = {Identification, extraction and quantification of the synthetic cannabinoid {JWH}-018 from commercially available herbal marijuana alternatives},\n\tvolume = {223},\n\tissn = {0379-0738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073812004471?showall=true},\n\tabstract = {In this work, methods for the rapid identification, extraction, and quantification of the synthetic cannabinoid, JWH-018, from commercially available “Spice” (a herbal marijuana alternative) are presented. JWH-018 was identified in three different products using time-of-flight (TOF) mass spectrometry coupled with a direct analysis in real time (DART) ionization source, a process that was completed in less then five minutes and required no sample preparation. Extraction of the JWH-018 from the spice samples using an automated accelerated solvent extraction (ASE) instrument provided clean extracts with few plant pigments. Subsequent quantification by isocratic HPLC produced the following results (mg JWH-018/g plant material): Weekend Warrior brand “Hash”: 90 (±3\\%)mg/g, Weekend Warrior brand “Leaf”: 29 (±6\\%)mg/g, TrainWreck Hayze brand: 28 (±4\\%)mg/g. Vegetative samples spiked with JWH-018 gave a recovery of 97\\% (±1\\%).},\n\tnumber = {1},\n\tjournal = {Forensic science international},\n\tauthor = {Dunham, Sage J.B. and Hooker, Paul D. and Hyde, Robyn M.},\n\tmonth = nov,\n\tyear = {2012},\n\tkeywords = {Accelerated solvent extraction, DART–mass spectrometry, Herbal marijuana alternative, JWH-018, Spice, Synthetic marijuana},\n\tpages = {241--244},\n}\n\n\n\n
\n
\n\n\n
\n In this work, methods for the rapid identification, extraction, and quantification of the synthetic cannabinoid, JWH-018, from commercially available “Spice” (a herbal marijuana alternative) are presented. JWH-018 was identified in three different products using time-of-flight (TOF) mass spectrometry coupled with a direct analysis in real time (DART) ionization source, a process that was completed in less then five minutes and required no sample preparation. Extraction of the JWH-018 from the spice samples using an automated accelerated solvent extraction (ASE) instrument provided clean extracts with few plant pigments. Subsequent quantification by isocratic HPLC produced the following results (mg JWH-018/g plant material): Weekend Warrior brand “Hash”: 90 (±3%)mg/g, Weekend Warrior brand “Leaf”: 29 (±6%)mg/g, TrainWreck Hayze brand: 28 (±4%)mg/g. Vegetative samples spiked with JWH-018 gave a recovery of 97% (±1%).\n
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\n \n\n \n \n \n \n \n \n Preliminary evaluation of the persistence of organic gunshot residue.\n \n \n \n \n\n\n \n Arndt, J.; Bell, S.; Crookshanks, L.; Lovejoy, M.; Oleska, C.; Tulley, T.; and Wolfe, D.\n\n\n \n\n\n\n Forensic science international, 222(1): 137–145. October 2012.\n \n\n\n\n
\n\n\n\n \n \n \"PreliminaryPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{arndt_preliminary_2012,\n\ttitle = {Preliminary evaluation of the persistence of organic gunshot residue},\n\tvolume = {222},\n\tissn = {0379-0738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073812002198?showall=true},\n\tabstract = {The organic components of gunshot residue (OGSR, also called firearms discharge residue (FDR) or cartridge discharge residue (CDR)) have been studied and discussed in the literature. These residues, consisting of particulates such as burned and unburned powder as well as molecular compounds, are rarely used in casework except for purposes such as shooting reconstructions. Molecular compounds that survive the firing event or that are created as a result of the firing event could, with focused research and development, open a new avenue for forensic gunshot residue analysis. In this study, the persistence of organic gunshot residue was evaluated using diphenylamine (DPA) as a target analyte and ion mobility spectrometry (IMS) as the detection system. Samples were collected from hands using a solvent swabbing technique and the swab was analyzed using direct thermal desorption for sample introduction into the IMS. OGSR was found to persist for at least 4h. Although DPA is a widely used industrial compound, analysis of numerous blank and background samples (n∼100) did not show any significant response for DPA using this detector. Variations were noted among individuals and as such, the data set does not support estimation of a half-life as has been done for traditional primer residues. No secondary transfers were observed, suggesting the possibility of skin adhesion via interactions between the lipophilic organic compounds and skin lipids. IMS proved valuable as a means of generating patterns for forensic pattern matching and shows promise as a screening tool applied to firearms discharge.},\n\tnumber = {1},\n\tjournal = {Forensic science international},\n\tauthor = {Arndt, James and Bell, Suzanne and Crookshanks, Lindsey and Lovejoy, Marco and Oleska, Casey and Tulley, Tanya and Wolfe, Drew},\n\tmonth = oct,\n\tyear = {2012},\n\tkeywords = {Gunshot residue, Ion mobility spectrometry, Organic gunshot residue, Persistence, Secondary transfer},\n\tpages = {137--145},\n}\n\n\n\n
\n
\n\n\n
\n The organic components of gunshot residue (OGSR, also called firearms discharge residue (FDR) or cartridge discharge residue (CDR)) have been studied and discussed in the literature. These residues, consisting of particulates such as burned and unburned powder as well as molecular compounds, are rarely used in casework except for purposes such as shooting reconstructions. Molecular compounds that survive the firing event or that are created as a result of the firing event could, with focused research and development, open a new avenue for forensic gunshot residue analysis. In this study, the persistence of organic gunshot residue was evaluated using diphenylamine (DPA) as a target analyte and ion mobility spectrometry (IMS) as the detection system. Samples were collected from hands using a solvent swabbing technique and the swab was analyzed using direct thermal desorption for sample introduction into the IMS. OGSR was found to persist for at least 4h. Although DPA is a widely used industrial compound, analysis of numerous blank and background samples (n∼100) did not show any significant response for DPA using this detector. Variations were noted among individuals and as such, the data set does not support estimation of a half-life as has been done for traditional primer residues. No secondary transfers were observed, suggesting the possibility of skin adhesion via interactions between the lipophilic organic compounds and skin lipids. IMS proved valuable as a means of generating patterns for forensic pattern matching and shows promise as a screening tool applied to firearms discharge.\n
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\n \n\n \n \n \n \n \n \n Rapid monitoring of heat-accelerated reactions in vegetable oils using direct analysis in real time ionization coupled with high resolution mass spectrometry.\n \n \n \n \n\n\n \n Vaclavik, L.; Belkova, B.; Reblova, Z.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Food Chemistry, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{vaclavik_rapid_2012,\n\ttitle = {Rapid monitoring of heat-accelerated reactions in vegetable oils using direct analysis in real time ionization coupled with high resolution mass spectrometry},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814612019085},\n\tdoi = {10.1016/j.foodchem.2012.12.019},\n\tabstract = {Transmission-mode direct analysis in real time ionization coupled with high resolution mass spectrometry (TM-DART–HRMS) was used to monitor chemical changes in various vegetable oils (olive, rapeseed, soybean and sunflower oil) during their thermally-induced oxidation. This novel instrumental approach enabled rapid fingerprinting of examined samples and detection of numerous sample components, such as triacylglycerols (TAGs), phytosterols, free fatty acids (FFA), and their respective oxidation products. Mass spectra obtained from DART were processed with the use of principal component analysis (PCA) in order to assess the compositional differences between heated and non-heated samples. Good correlation was observed between the normalized intensities of the pre-selected ion corresponding to mono-oxidized TAG and ‘classic’ criterion represented by the levels of TAG polymers determined by high performance-size exclusion chromatography with refractometric detection (HP-SEC–RID).},\n\tnumber = {0},\n\tjournal = {Food Chemistry},\n\tauthor = {Vaclavik, Lukas and Belkova, Beverly and Reblova, Zuzana and Riddellova, Katerina and Hajslova, Jana},\n\tyear = {2012},\n\tkeywords = {Direct analysis in real time, Heating, Oxidation, Vegetable oils, mass spectrometry},\n}\n\n\n\n
\n
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\n Transmission-mode direct analysis in real time ionization coupled with high resolution mass spectrometry (TM-DART–HRMS) was used to monitor chemical changes in various vegetable oils (olive, rapeseed, soybean and sunflower oil) during their thermally-induced oxidation. This novel instrumental approach enabled rapid fingerprinting of examined samples and detection of numerous sample components, such as triacylglycerols (TAGs), phytosterols, free fatty acids (FFA), and their respective oxidation products. Mass spectra obtained from DART were processed with the use of principal component analysis (PCA) in order to assess the compositional differences between heated and non-heated samples. Good correlation was observed between the normalized intensities of the pre-selected ion corresponding to mono-oxidized TAG and ‘classic’ criterion represented by the levels of TAG polymers determined by high performance-size exclusion chromatography with refractometric detection (HP-SEC–RID).\n
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\n \n\n \n \n \n \n \n The Principles and Applications of An Ambient Ionization Method–Direct Analysis in Real Time (DART).\n \n \n \n\n\n \n Zhang, J.; Huo, F.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Progress in Chemistry, 24(1): 101–109. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhang_principles_2012,\n\ttitle = {The {Principles} and {Applications} of {An} {Ambient} {Ionization} {Method}--{Direct} {Analysis} in {Real} {Time} ({DART})},\n\tvolume = {24},\n\tabstract = {The development of ionization approach has been focused on the ambient ionization methods in the past decade. DART was first reported by Cody and coworkers in 2005 and has been widely applied in the analysis of various samples including solids, liquids or gases. Helium or nitrogen is chosen as the working gas of DART. The working gas is activated by discharge needle and subsequently heated in the heating cell for the further sample ionization. The DART technology needs minimal or no sample pretreatmentand direct analysis can be carried out by holding sample in the localization between the outlet of DART and the entrance of mass spectrometer. This review presents the development, the ionization mechanism, and the major operation parameters of DART. And the applications in direct analysis of pheromones from live drosophila, screening of counterfeit drugs, identification of ingredient of inksand other samples are summarized. In the end, the technological limitations and development trends of DART are also discussed.},\n\tnumber = {1},\n\tjournal = {Progress in Chemistry},\n\tauthor = {Zhang, Jialing and Huo, Feifeng and Zhou, Zhigui and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {review},\n\tpages = {101--109},\n}\n\n\n\n
\n
\n\n\n
\n The development of ionization approach has been focused on the ambient ionization methods in the past decade. DART was first reported by Cody and coworkers in 2005 and has been widely applied in the analysis of various samples including solids, liquids or gases. Helium or nitrogen is chosen as the working gas of DART. The working gas is activated by discharge needle and subsequently heated in the heating cell for the further sample ionization. The DART technology needs minimal or no sample pretreatmentand direct analysis can be carried out by holding sample in the localization between the outlet of DART and the entrance of mass spectrometer. This review presents the development, the ionization mechanism, and the major operation parameters of DART. And the applications in direct analysis of pheromones from live drosophila, screening of counterfeit drugs, identification of ingredient of inksand other samples are summarized. In the end, the technological limitations and development trends of DART are also discussed.\n
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\n \n\n \n \n \n \n \n \n Application of Direct Analysis in Real Time Mass Spectrometry (DART-MS) for Identification of an Epiphytic Cyanobacterium, Nostoc Sp.\n \n \n \n \n\n\n \n Singh, S.; and Verma, S. K.\n\n\n \n\n\n\n Analytical Letters, 45(17): 2562–2568. May 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{singh_application_2012,\n\ttitle = {Application of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) for {Identification} of an {Epiphytic} {Cyanobacterium}, {Nostoc} {Sp}.},\n\tvolume = {45},\n\tissn = {0003-2719},\n\turl = {http://dx.doi.org/10.1080/00032719.2012.694940},\n\tdoi = {10.1080/00032719.2012.694940},\n\tabstract = {Cyanobacteria, a diverse group of bacteria are identified entirely on the basis of morphological characters, which can frequently lead to incorrect results; therefore, the present study reports a new approach for identification of an organism based on DART technique. Direct Analysis in Real Time Mass Spectrometry (DART-MS) was used to identify a cyanobacterium, isolated from the leaf surface, on the basis of characteristic chemical compounds present in the strain. A chemical fingerprint was generated and peaks obtained were found to be similar to the masses of the compounds reported for Nostoc sp.},\n\tnumber = {17},\n\turldate = {2012-11-28},\n\tjournal = {Analytical Letters},\n\tauthor = {Singh, Shachi and Verma, S. K.},\n\tmonth = may,\n\tyear = {2012},\n\tpages = {2562--2568},\n}\n\n\n\n
\n
\n\n\n
\n Cyanobacteria, a diverse group of bacteria are identified entirely on the basis of morphological characters, which can frequently lead to incorrect results; therefore, the present study reports a new approach for identification of an organism based on DART technique. Direct Analysis in Real Time Mass Spectrometry (DART-MS) was used to identify a cyanobacterium, isolated from the leaf surface, on the basis of characteristic chemical compounds present in the strain. A chemical fingerprint was generated and peaks obtained were found to be similar to the masses of the compounds reported for Nostoc sp.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry and multivariate data analysis: A novel approach to rapid identification of analytical markers for quality control of traditional Chinese medicine preparation.\n \n \n \n \n\n\n \n Zeng, S.; Wang, L.; Chen, T.; Wang, Y.; Mo, H.; and Qu, H.\n\n\n \n\n\n\n Analytica Chimica Acta, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zeng_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry and multivariate data analysis: {A} novel approach to rapid identification of analytical markers for quality control of traditional {Chinese} medicine preparation},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S000326701200596X},\n\tdoi = {10.1016/j.aca.2012.04.025},\n\tabstract = {The paper presents a novel strategy to identify analytical markers of traditional Chinese medicine preparation (TCMP) rapidly via direct analysis in real time mass spectrometry (DART-MS). A commonly used TCMP, Danshen injection, was employed as a model. The optimal analysis conditions were achieved by measuring the contribution of various experimental parameters to the mass spectra. Salvianolic acids and saccharides were simultaneously determined within a single 1-min DART-MS run. Furthermore, spectra of Danshen injections supplied by five manufacturers were processed with principal component analysis (PCA). Obvious clustering was observed in the PCA score plot, and candidate markers were recognized from the contribution plots of PCA. The suitability of potential markers was then confirmed by contrasting with the results of traditional analysis methods. Using this strategy, fructose, glucose, sucrose, protocatechuic aldehyde and salvianolic acid A were rapidly identified as the markers of Danshen injections. The combination of DART-MS with PCA provides a reliable approach to the identification of analytical markers for quality control of TCMP.},\n\tnumber = {0},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zeng, Shanshan and Wang, Lu and Chen, Teng and Wang, Yuefei and Mo, Huanbiao and Qu, Haibin},\n\tyear = {2012},\n\tkeywords = {Analytical marker, Direct analysis in real time, Principal component analysis, Traditional Chinese medicine preparation, mass spectrometry},\n}\n\n\n\n
\n
\n\n\n
\n The paper presents a novel strategy to identify analytical markers of traditional Chinese medicine preparation (TCMP) rapidly via direct analysis in real time mass spectrometry (DART-MS). A commonly used TCMP, Danshen injection, was employed as a model. The optimal analysis conditions were achieved by measuring the contribution of various experimental parameters to the mass spectra. Salvianolic acids and saccharides were simultaneously determined within a single 1-min DART-MS run. Furthermore, spectra of Danshen injections supplied by five manufacturers were processed with principal component analysis (PCA). Obvious clustering was observed in the PCA score plot, and candidate markers were recognized from the contribution plots of PCA. The suitability of potential markers was then confirmed by contrasting with the results of traditional analysis methods. Using this strategy, fructose, glucose, sucrose, protocatechuic aldehyde and salvianolic acid A were rapidly identified as the markers of Danshen injections. The combination of DART-MS with PCA provides a reliable approach to the identification of analytical markers for quality control of TCMP.\n
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\n \n\n \n \n \n \n \n Where is the next high? - Rapid identification of synthetic cannabinoids in \"Spice\" products.\n \n \n \n\n\n \n Huang, L.; Veltri, M.; Cody, R. B.; Dane, A. J.; Rivera, A.; Marino, M. A.; and Kim, W. J.\n\n\n \n\n\n\n Forensic Science International, submitted. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{huang_where_2012,\n\ttitle = {Where is the next high? - {Rapid} identification of synthetic cannabinoids in "{Spice}" products},\n\tvolume = {submitted},\n\tjournal = {Forensic Science International},\n\tauthor = {Huang, Ling and Veltri, Mercurio and Cody, Robert B. and Dane, A. John and Rivera, Amanda and Marino, Michael A. and Kim, Woen J.},\n\tyear = {2012},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Argon Direct Analysis in Real Time (Ar-DART) Mass Spectrometry in Conjunction with Make-Up Solvents: A Novel Method for Analysis of Labile Compounds.\n \n \n \n \n\n\n \n Yang, H.; Wan, D.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytical Chemistry. December 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ArgonPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{yang_argon_2012,\n\ttitle = {Argon {Direct} {Analysis} in {Real} {Time} ({Ar}-{DART}) {Mass} {Spectrometry} in {Conjunction} with {Make}-{Up} {Solvents}: {A} {Novel} {Method} for {Analysis} of {Labile} {Compounds}},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3026543},\n\tdoi = {10.1021/ac3026543},\n\tabstract = {Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with make-up solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a make-up solvent (absolute ethyl alcohol, methanol, fluorobenzene or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.},\n\turldate = {2013-01-04},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Yang, Hongmei and Wan, Debin and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tmonth = dec,\n\tyear = {2012},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with make-up solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a make-up solvent (absolute ethyl alcohol, methanol, fluorobenzene or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.\n
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\n \n\n \n \n \n \n \n \n Biomarkers of Whale Shark Health: A Metabolomic Approach.\n \n \n \n \n\n\n \n Dove, A. D. M.; Leisen, J.; Zhou, M.; Byrne, J. J.; Lim-Hing, K.; Webb, H. D.; Gelbaum, L.; Viant, M. R.; Kubanek, J.; and Fernández, F. M.\n\n\n \n\n\n\n PLoS ONE, 7(11): e49379. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"BiomarkersPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{dove_biomarkers_2012,\n\ttitle = {Biomarkers of {Whale} {Shark} {Health}: {A} {Metabolomic} {Approach}},\n\tvolume = {7},\n\turl = {http://dx.doi.org/10.1371%2Fjournal.pone.0049379},\n\tdoi = {10.1371/journal.pone.0049379},\n\tabstract = {In a search for biomarkers of health in whale sharks and as exploration of metabolomics as a modern tool for understanding animal physiology, the metabolite composition of serum in six whale sharks (Rhincodon typus) from an aquarium collection was explored using 1H nuclear magnetic resonance (NMR) spectroscopy and direct analysis in real time (DART) mass spectrometry (MS). Principal components analysis (PCA) of spectral data showed that individual animals could be resolved based on the metabolite composition of their serum and that two unhealthy individuals could be discriminated from the remaining healthy animals. The major difference between healthy and unhealthy individuals was the concentration of homarine, here reported for the first time in an elasmobranch, which was present at substantially lower concentrations in unhealthy whale sharks, suggesting that this metabolite may be a useful biomarker of health status in this species. The function(s) of homarine in sharks remain uncertain but it likely plays a significant role as an osmolyte. The presence of trimethylamine oxide (TMAO), another well-known protective osmolyte of elasmobranchs, at 0.1–0.3 mol L−1 was also confirmed using both NMR and MS. Twenty-three additional potential biomarkers were identified based on significant differences in the frequency of their occurrence between samples from healthy and unhealthy animals, as detected by DART MS. Overall, NMR and MS provided complementary data that showed that metabolomics is a useful approach for biomarker prospecting in poorly studied species like elasmobranchs.},\n\tnumber = {11},\n\tjournal = {PLoS ONE},\n\tauthor = {Dove, Alistair D. M. and Leisen, Johannes and Zhou, Manshui and Byrne, Jonathan J. and Lim-Hing, Krista and Webb, Harry D. and Gelbaum, Leslie and Viant, Mark R. and Kubanek, Julia and Fernández, Facundo M.},\n\tmonth = nov,\n\tyear = {2012},\n\tpages = {e49379},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n In a search for biomarkers of health in whale sharks and as exploration of metabolomics as a modern tool for understanding animal physiology, the metabolite composition of serum in six whale sharks (Rhincodon typus) from an aquarium collection was explored using 1H nuclear magnetic resonance (NMR) spectroscopy and direct analysis in real time (DART) mass spectrometry (MS). Principal components analysis (PCA) of spectral data showed that individual animals could be resolved based on the metabolite composition of their serum and that two unhealthy individuals could be discriminated from the remaining healthy animals. The major difference between healthy and unhealthy individuals was the concentration of homarine, here reported for the first time in an elasmobranch, which was present at substantially lower concentrations in unhealthy whale sharks, suggesting that this metabolite may be a useful biomarker of health status in this species. The function(s) of homarine in sharks remain uncertain but it likely plays a significant role as an osmolyte. The presence of trimethylamine oxide (TMAO), another well-known protective osmolyte of elasmobranchs, at 0.1–0.3 mol L−1 was also confirmed using both NMR and MS. Twenty-three additional potential biomarkers were identified based on significant differences in the frequency of their occurrence between samples from healthy and unhealthy animals, as detected by DART MS. Overall, NMR and MS provided complementary data that showed that metabolomics is a useful approach for biomarker prospecting in poorly studied species like elasmobranchs.\n
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\n \n\n \n \n \n \n \n \n Estimation of camptothecin and pharmacological evaluation of Ophiorrhiza prostrata D. Don and Ophiorrhiza mungos L.\n \n \n \n \n\n\n \n Krishnakumar, G; Rameshkumar, K.; Srinivas, P.; Satheeshkumar, K; and Krishnan, P.\n\n\n \n\n\n\n Asian Pacific Journal of Tropical Biomedicine, 2(2, Supplement): S727–S731. February 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EstimationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{krishnakumar_estimation_2012,\n\ttitle = {Estimation of camptothecin and pharmacological evaluation of {Ophiorrhiza} prostrata {D}. {Don} and {Ophiorrhiza} mungos {L}.},\n\tvolume = {2},\n\tissn = {2221-1691},\n\turl = {http://www.sciencedirect.com/science/article/pii/S2221169112603049},\n\tdoi = {10.1016/S2221-1691(12)60304-9},\n\tabstract = {Objective \nTo carry out the qualitative and quantitative evaluation of camptothecin, estimation of total phenolic compounds and evaluation of in vitro antioxidant activity and cytotoxic activity of Ophiorrhiza prostrata and Ophiorrhiza mungos. \nMethods \nDirect Analysis in Real Time- Mass Spectrometry (DART-MS) was employed for the detection of camptothecin in the Ophiorrhiza species, while high performance thin layer chromatography (HPTLC) was used for the estimation of camptothecin. Total phenolic compounds were estimated by modified Folins-Ciocalteu's reagent method. Antioxidant activity was evaluated through DPPH radical, hydroxyl radical, superoxide radical scavenging assays and reducing power assay. The cytotoxicity evaluation was performed using MTT assay on MCF-7 cell lines. \nResults \nThe presence of camptothecin was confirmed in both the species by the [M++H] peak at 349 by DART-MS analysis. Camptothecin content was estimated as 1.47 μg/gm (dry wt) in O. prostrata and 188.60 μg/gm (dry wt) in O. mungos using HPTLC method. The moderate in vitro antioxidant activities of the methanol extracts corroborates with the low content of phenolic compounds in O. prostrata (9.88 GAE mg/g) and O. mungos (12.73 GAE mg/g). The methanol extract of O. prostrata exhibited remarkable cytotoxicity on human breast cancer cell lines (MCF-7), with IC50 value 1.10μg/mL compared to O. mungos (3.48μg/mL) and standard camptothecin (3.51μg/mL). \nConclusions \nThe application of DART-MS proved to be a simple and rapid technique for the detection of camptothecin in Ophiorrhiza species. The higher cytotoxicity for O. prostrata, despite the low content of camptothecin suggests the presence of other potential cytotoxic compounds in O. prostrata.},\n\tnumber = {2, Supplement},\n\tjournal = {Asian Pacific Journal of Tropical Biomedicine},\n\tauthor = {Krishnakumar, G and Rameshkumar, KB and Srinivas, Priya and Satheeshkumar, K and Krishnan, PN},\n\tmonth = feb,\n\tyear = {2012},\n\tkeywords = {Antioxidant activity, Camptothecin, Cytotoxicity, DART-MS analysis, HPTLC estimation, Ophiorrhiza mungos, Ophiorrhiza prostrata},\n\tpages = {S727--S731},\n}\n\n\n\n
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\n Objective To carry out the qualitative and quantitative evaluation of camptothecin, estimation of total phenolic compounds and evaluation of in vitro antioxidant activity and cytotoxic activity of Ophiorrhiza prostrata and Ophiorrhiza mungos. Methods Direct Analysis in Real Time- Mass Spectrometry (DART-MS) was employed for the detection of camptothecin in the Ophiorrhiza species, while high performance thin layer chromatography (HPTLC) was used for the estimation of camptothecin. Total phenolic compounds were estimated by modified Folins-Ciocalteu's reagent method. Antioxidant activity was evaluated through DPPH radical, hydroxyl radical, superoxide radical scavenging assays and reducing power assay. The cytotoxicity evaluation was performed using MTT assay on MCF-7 cell lines. Results The presence of camptothecin was confirmed in both the species by the [M++H] peak at 349 by DART-MS analysis. Camptothecin content was estimated as 1.47 μg/gm (dry wt) in O. prostrata and 188.60 μg/gm (dry wt) in O. mungos using HPTLC method. The moderate in vitro antioxidant activities of the methanol extracts corroborates with the low content of phenolic compounds in O. prostrata (9.88 GAE mg/g) and O. mungos (12.73 GAE mg/g). The methanol extract of O. prostrata exhibited remarkable cytotoxicity on human breast cancer cell lines (MCF-7), with IC50 value 1.10μg/mL compared to O. mungos (3.48μg/mL) and standard camptothecin (3.51μg/mL). Conclusions The application of DART-MS proved to be a simple and rapid technique for the detection of camptothecin in Ophiorrhiza species. The higher cytotoxicity for O. prostrata, despite the low content of camptothecin suggests the presence of other potential cytotoxic compounds in O. prostrata.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry combined with single-drop liquid–liquid–liquid microextraction for the rapid analysis of multiple phytohormones in fruit juice.\n \n \n \n \n\n\n \n Bai, Y.; Zhang, J.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–8. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{bai_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry combined with single-drop liquid–liquid–liquid microextraction for the rapid analysis of multiple phytohormones in fruit juice},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5728-x},\n\tdoi = {10.1007/s00216-012-5728-x},\n\tabstract = {A rapid, simple, and efficient method for the fast determination of multiple phytohormones was developed in this work, based on single-drop liquid–liquid–liquid microextraction (SD-LLLME) combined with direct analysis in real-time mass spectrometry (DART-MS). Six phytohormones—indole-3-acetic acid (IAA), indole-3-butyric acid (IBA), jasmonic acid (JA), salicylic acid (SA), abscisic acid (ABA), and gibberellin A 3 (GA 3 )—were analyzed simultaneously using this method, and the conditions employed for DART-MS and SD-LLLME were optimized systematically. Satisfactory results were obtained in terms of linearity ( R 2 values for all phytohormones were 0.991–0.996), sensitivity (limits of detection were 0.65–72 ng/mL), and repeatability (RSD values were 6.9–14\\%). In addition, the proposed method was applied to determine the endogenous phytohormones in three kinds of fruit juice. Different concentrations of phytohormones were detected with satisfactory recoveries, and the whole analytical procedure took no more than 30 min. Therefore, this combination of SD-LLLME and DART-MS was shown to be a suitable and effective approach for the fast analysis of targets present at trace level concentrations in complex matrices.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Bai, Yu and Zhang, Jialing and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {Chemistry and Materials Science},\n\tpages = {1--8},\n}\n\n\n\n
\n
\n\n\n
\n A rapid, simple, and efficient method for the fast determination of multiple phytohormones was developed in this work, based on single-drop liquid–liquid–liquid microextraction (SD-LLLME) combined with direct analysis in real-time mass spectrometry (DART-MS). Six phytohormones—indole-3-acetic acid (IAA), indole-3-butyric acid (IBA), jasmonic acid (JA), salicylic acid (SA), abscisic acid (ABA), and gibberellin A 3 (GA 3 )—were analyzed simultaneously using this method, and the conditions employed for DART-MS and SD-LLLME were optimized systematically. Satisfactory results were obtained in terms of linearity ( R 2 values for all phytohormones were 0.991–0.996), sensitivity (limits of detection were 0.65–72 ng/mL), and repeatability (RSD values were 6.9–14%). In addition, the proposed method was applied to determine the endogenous phytohormones in three kinds of fruit juice. Different concentrations of phytohormones were detected with satisfactory recoveries, and the whole analytical procedure took no more than 30 min. Therefore, this combination of SD-LLLME and DART-MS was shown to be a suitable and effective approach for the fast analysis of targets present at trace level concentrations in complex matrices.\n
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\n \n\n \n \n \n \n \n \n Rapid quality assessment of Radix Aconiti Preparata using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Zhu, H.; Wang, C.; Qi, Y.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytica Chimica Acta, (0). 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zhu_rapid_2012,\n\ttitle = {Rapid quality assessment of {Radix} {Aconiti} {Preparata} using direct analysis in real time ({DART}) mass spectrometry},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267012013451?v=s5},\n\tdoi = {10.1016/j.aca.2012.09.018},\n\tabstract = {This study presents a novel and rapid method to identify chemical markers for the quality control of Radix Aconiti Preparata, a world widely used traditional herbal medicine. In the method, the samples with a fast extraction procedure were analyzed using direct analysis in real time mass spectrometry (DART MS) combined with multivariate data analysis. At present, the quality assessment approach of Radix Aconiti Preparata was based on the two processing methods recorded in Chinese Pharmacopoeia for the purpose of reducing the toxicity of Radix Aconiti and ensuring its clinical therapeutic efficacy. In order to ensure the safety and effectivity in clinical use, the processing degree of Radix Aconiti should be well controlled and assessed. In the paper, hierarchical cluster analysis and principal component analysis were performed to evaluate the DART MS data of Radix Aconiti Preparata samples in different processing times. The results showed that the well processed Radix Aconiti Preparata, unqualified processed and the raw Radix Aconiti could be clustered reasonably corresponding to their constituents. The loading plot shows that the main chemical markers having the most influence on the discrimination amongst the qualified and unqualified samples were mainly some monoester diterpenoid aconitines and diester diterpenoid aconitines, i.e. benzoylmesaconine, hypaconitine, mesaconitine, neoline, benzoylhypaconine, benzoylaconine, fuziline, aconitine and 10-OH-mesaconitine. The established DART MS approach in combination with multivariate data analysis provides a very flexible and reliable method for quality assessment of toxic herbal medicine.},\n\tnumber = {0},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zhu, Hongbin and Wang, Chunyan and Qi, Yao and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tyear = {2012},\n\tkeywords = {Direct analysis in real time, Hierarchical clustering analysis, Principal component analysis, Radix Aconiti, Radix Aconiti Preparata},\n}\n\n\n\n
\n
\n\n\n
\n This study presents a novel and rapid method to identify chemical markers for the quality control of Radix Aconiti Preparata, a world widely used traditional herbal medicine. In the method, the samples with a fast extraction procedure were analyzed using direct analysis in real time mass spectrometry (DART MS) combined with multivariate data analysis. At present, the quality assessment approach of Radix Aconiti Preparata was based on the two processing methods recorded in Chinese Pharmacopoeia for the purpose of reducing the toxicity of Radix Aconiti and ensuring its clinical therapeutic efficacy. In order to ensure the safety and effectivity in clinical use, the processing degree of Radix Aconiti should be well controlled and assessed. In the paper, hierarchical cluster analysis and principal component analysis were performed to evaluate the DART MS data of Radix Aconiti Preparata samples in different processing times. The results showed that the well processed Radix Aconiti Preparata, unqualified processed and the raw Radix Aconiti could be clustered reasonably corresponding to their constituents. The loading plot shows that the main chemical markers having the most influence on the discrimination amongst the qualified and unqualified samples were mainly some monoester diterpenoid aconitines and diester diterpenoid aconitines, i.e. benzoylmesaconine, hypaconitine, mesaconitine, neoline, benzoylhypaconine, benzoylaconine, fuziline, aconitine and 10-OH-mesaconitine. The established DART MS approach in combination with multivariate data analysis provides a very flexible and reliable method for quality assessment of toxic herbal medicine.\n
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\n \n\n \n \n \n \n \n \n Analysis of isoflavones in soybeans employing direct analysis in real-time ionization–high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Lojza, J.; Cajka, T.; Schulzova, V.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Separation Science, 35(3): 476–481. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{lojza_analysis_2012,\n\ttitle = {Analysis of isoflavones in soybeans employing direct analysis in real-time ionization–high-resolution mass spectrometry},\n\tvolume = {35},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.201100882},\n\tdoi = {10.1002/jssc.201100882},\n\tabstract = {A direct analysis in real-time (DART) ion source coupled to a high-resolution orbitrap mass spectrometer was used for the quantitative analysis of isoflavones isolated from soybeans. For the isolation of genistein, daidzein, glycitein, and their respective acetyl, malonyl, and glucoside forms, an extraction employing 80\\% aqueous MeOH enhanced by sonication was used. As far as the total isoflavones (expressed as aglycones) were to be determined, an acid hydrolysis with 80\\% aqueous EtOH and refluxing had to be employed, while in the latter case a good agreement of the results with the data generated by the UHPLC-orbitrap MS method was achieved, in the case of the analysis of non-hydrolyzed extracts, some overestimation of the results as compared with those generated by UHPLC-orbitrap MS was observed. A careful investigation of this phenomenon showed that the free aglycones originated from the conjugated forms of isoflavones in the DART ion source, thus contributing significantly to the “free” genistein/daidzein/glycitein signals during the DART analysis. Good recoveries (95–102\\%) and repeatabilities (RSD: 7–15\\%) were obtained at the spiking levels of 0.5, 1, and 0.05 g/kg, for daidzein, genistein, and glycitein, respectively. The limits of detection estimated for the respective analytes were 5 mg/kg.},\n\tnumber = {3},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Lojza, Jaromir and Cajka, Tomas and Schulzova, Vera and Riddellova, Katerina and Hajslova, Jana},\n\tyear = {2012},\n\tkeywords = {Ambient mass spectrometry, Ambient mass spectrometry; Direct analysis in real time; Isoflavones; Phytoestrogens; Soybean; orbitrap, Direct analysis in real time, Isoflavones, Phytoestrogens, Soybean},\n\tpages = {476--481},\n}\n\n\n\n
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\n A direct analysis in real-time (DART) ion source coupled to a high-resolution orbitrap mass spectrometer was used for the quantitative analysis of isoflavones isolated from soybeans. For the isolation of genistein, daidzein, glycitein, and their respective acetyl, malonyl, and glucoside forms, an extraction employing 80% aqueous MeOH enhanced by sonication was used. As far as the total isoflavones (expressed as aglycones) were to be determined, an acid hydrolysis with 80% aqueous EtOH and refluxing had to be employed, while in the latter case a good agreement of the results with the data generated by the UHPLC-orbitrap MS method was achieved, in the case of the analysis of non-hydrolyzed extracts, some overestimation of the results as compared with those generated by UHPLC-orbitrap MS was observed. A careful investigation of this phenomenon showed that the free aglycones originated from the conjugated forms of isoflavones in the DART ion source, thus contributing significantly to the “free” genistein/daidzein/glycitein signals during the DART analysis. Good recoveries (95–102%) and repeatabilities (RSD: 7–15%) were obtained at the spiking levels of 0.5, 1, and 0.05 g/kg, for daidzein, genistein, and glycitein, respectively. The limits of detection estimated for the respective analytes were 5 mg/kg.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry for the rapid identification of four highly hazardous pesticides in agrochemicals.\n \n \n \n \n\n\n \n Wang, L.; Zhao, P.; Zhang, F.; Li, Y.; and Pan, C.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(16): 1859–1867. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{wang_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry for the rapid identification of four highly hazardous pesticides in agrochemicals},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6274},\n\tdoi = {10.1002/rcm.6274},\n\tabstract = {RATIONALE\nDirect analysis in real time (DART) is a new ion source technique, which is conducted in the open air under ambient conditions, applied to the rapid and direct analysis of any material (gases, liquids, and solids) with minimal or no sample preparation. In order to take advantage of the capacity of DART mass spectrometry for the real-time analysis of hazardous ingredients in commercial agrochemicals, a pilot study of rapid qualitative determination of hazardous pesticides was performed. \nMETHODS\nHighly hazardous pesticides were identified by DART ionization coupled to a single-quadrupole mass spectrometer (DART-MS). Acetonitrile was chosen for dissolving samples prior to the analysis. Samples were analyzed by this technique in as little as 5 s. \nRESULTS\nPhorate, carbofuran, ethoprophos and fipronil were be detected directly from commercial agrochemicals. The ionization-related parameters (DART temperature, grid voltage and MS fragment) of these compounds were optimized to obtain highly response. Isotope patterns were taken into consideration for qualitative identification. Relative standard deviations (RSDs, n = 5) of 2.3–15.0\\% were obtained by measuring the relative abundance of selected isotopes. \nCONCLUSIONS\nThis study showed that DART-MS technology was able to qualitatively determine the existence of highly hazardous pesticides in commercial pesticide formulations. It is suggested that this technology should be applied for routine monitoring in the market. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {16},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Wang, Lei and Zhao, Pengyue and Zhang, Fengzu and Li, Yanjie and Pan, Canping},\n\tyear = {2012},\n\tpages = {1859--1867},\n}\n\n\n\n
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\n RATIONALE Direct analysis in real time (DART) is a new ion source technique, which is conducted in the open air under ambient conditions, applied to the rapid and direct analysis of any material (gases, liquids, and solids) with minimal or no sample preparation. In order to take advantage of the capacity of DART mass spectrometry for the real-time analysis of hazardous ingredients in commercial agrochemicals, a pilot study of rapid qualitative determination of hazardous pesticides was performed. METHODS Highly hazardous pesticides were identified by DART ionization coupled to a single-quadrupole mass spectrometer (DART-MS). Acetonitrile was chosen for dissolving samples prior to the analysis. Samples were analyzed by this technique in as little as 5 s. RESULTS Phorate, carbofuran, ethoprophos and fipronil were be detected directly from commercial agrochemicals. The ionization-related parameters (DART temperature, grid voltage and MS fragment) of these compounds were optimized to obtain highly response. Isotope patterns were taken into consideration for qualitative identification. Relative standard deviations (RSDs, n = 5) of 2.3–15.0% were obtained by measuring the relative abundance of selected isotopes. CONCLUSIONS This study showed that DART-MS technology was able to qualitatively determine the existence of highly hazardous pesticides in commercial pesticide formulations. It is suggested that this technology should be applied for routine monitoring in the market. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Optimization of direct analysis in real time (DART) linear ion trap parameters for the detection and quantitation of glucose.\n \n \n \n \n\n\n \n Saang'onyo, D. S.; and Smith, D. L.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(3): 385–391. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{saangonyo_optimization_2012,\n\ttitle = {Optimization of direct analysis in real time ({DART}) linear ion trap parameters for the detection and quantitation of glucose},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5316},\n\tdoi = {10.1002/rcm.5316},\n\tabstract = {Presented here are findings for the development and optimization of a simple, high-throughput, and rapid method for the analysis of glucose. Because the applications of glucose and other six-carbon sugars is a growing field of interest especially in the production of biofuels, an efficient and rapid method for their quantitation from lignocelluloses is necessary. Glucose was analyzed using direct analysis in real time (DART) ionization and formed adducts (along with fragmentation) were observed with a linear ion trap (LIT) mass spectrometer. Since DART can be considered a complex thermal desorption ionization process, an optimization study of the helium gas temperature and introduction into the ionization region was performed. It was observed these parameters have a significant effect on the overall signal intensity as well as the signal-to-noise ratios in DART mass spectra. Using these optimized parameters, a set of different glucose concentrations (ranging from 10 to 3000 μM) were analyzed and used to determine a linear dynamic range (with the use of an internal standard). The analysis of the samples was done with minimal sample preparation and found to be reproducible on different days. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Saang'onyo, Daudi S. and Smith, Darrin L.},\n\tyear = {2012},\n\tkeywords = {Ion trap},\n\tpages = {385--391},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Presented here are findings for the development and optimization of a simple, high-throughput, and rapid method for the analysis of glucose. Because the applications of glucose and other six-carbon sugars is a growing field of interest especially in the production of biofuels, an efficient and rapid method for their quantitation from lignocelluloses is necessary. Glucose was analyzed using direct analysis in real time (DART) ionization and formed adducts (along with fragmentation) were observed with a linear ion trap (LIT) mass spectrometer. Since DART can be considered a complex thermal desorption ionization process, an optimization study of the helium gas temperature and introduction into the ionization region was performed. It was observed these parameters have a significant effect on the overall signal intensity as well as the signal-to-noise ratios in DART mass spectra. Using these optimized parameters, a set of different glucose concentrations (ranging from 10 to 3000 μM) were analyzed and used to determine a linear dynamic range (with the use of an internal standard). The analysis of the samples was done with minimal sample preparation and found to be reproducible on different days. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Confined direct analysis in real time ion source and its applications in analysis of volatile organic compounds of Citrus limon (lemon) and Allium cepa (onion).\n \n \n \n\n\n \n Li, Y.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(10): 1194–1202. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{li_confined_2012,\n\ttitle = {Confined direct analysis in real time ion source and its applications in analysis of volatile organic compounds of {Citrus} limon (lemon) and {Allium} cepa (onion)},\n\tvolume = {26},\n\tdoi = {10.1002/rcm.6217},\n\tabstract = {The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique that enables efficient ionization of gases, liquids and solids with high throughput. A major limit to its wider application in the analysis of gases is its poor detection sensitivity caused by open-air sampling. In this study, a confined interface between the DART ion source outlet and mass spectrometer sampling orifice was developed, where the plasma generated by the atmospheric pressure glow discharge collides and ionizes gas-phase molecules in a Tee-shaped flow tube instead of in open air. It leads to significant increase of collision reaction probability between high energy metastable molecules and analytes. The experimental results show that the ionization efficiency was increased at least by two orders of magnitude. This technique was then applied in the real time analysis of volatile organic compounds (VOCs) of Citrus Limon (lemon) and wounded Allium Cepa (onion). The confined DART ion source was proved to be a powerful tool for the studies of plant metabolomics.},\n\tnumber = {10},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Li, Y.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1194--1202},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique that enables efficient ionization of gases, liquids and solids with high throughput. A major limit to its wider application in the analysis of gases is its poor detection sensitivity caused by open-air sampling. In this study, a confined interface between the DART ion source outlet and mass spectrometer sampling orifice was developed, where the plasma generated by the atmospheric pressure glow discharge collides and ionizes gas-phase molecules in a Tee-shaped flow tube instead of in open air. It leads to significant increase of collision reaction probability between high energy metastable molecules and analytes. The experimental results show that the ionization efficiency was increased at least by two orders of magnitude. This technique was then applied in the real time analysis of volatile organic compounds (VOCs) of Citrus Limon (lemon) and wounded Allium Cepa (onion). The confined DART ion source was proved to be a powerful tool for the studies of plant metabolomics.\n
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\n \n\n \n \n \n \n \n \n Chemometric Classification of Morphologically Similar Umbelliferae Medicinal Herbs by DART-TOF-MS Fingerprint.\n \n \n \n \n\n\n \n Lee, S. M.; Kim, H.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,n/a. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ChemometricPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{lee_chemometric_2012,\n\ttitle = {Chemometric {Classification} of {Morphologically} {Similar} {Umbelliferae} {Medicinal} {Herbs} by {DART}-{TOF}-{MS} {Fingerprint}},\n\tissn = {1099-1565},\n\turl = {http://dx.doi.org/10.1002/pca.2348},\n\tdoi = {10.1002/pca.2348},\n\tabstract = {Introduction\nIt needs many years of special training to gain expertise on the organoleptic classification of botanical raw materials and, even for those experts, discrimination among Umbelliferae medicinal herbs remains an intricate challenge due to their morphological similarity. \nObjective\nTo develop a new chemometric classification method using a direct analysis in real time–time of flight–mass spectrometry (DART-TOF-MS) fingerprinting for Umbelliferae medicinal herbs and to provide a platform for its application to the discrimination of other herbal medicines. \nMethodology\nAngelica tenuissima, Angelica gigas, Angelica dahurica and Cnidium officinale were chosen for this study and ten samples of each species were purchased from various Korean markets. DART-TOF-MS was employed on powdered raw materials to obtain a chemical fingerprint of each sample and the orthogonal partial-least squares method in discriminant analysis (OPLS-DA) was used for multivariate analysis. \nResults\nAll samples of collected species were successfully discriminated from each other according to their characteristic DART-TOF-MS fingerprint. Decursin (or decursinol angelate) and byakangelicol were identified as marker molecules for Angelica gigas and A. dahurica, respectively. Using the OPLS method for discriminant analysis, Angelica tenuissima and Cnidium officinale were clearly separated into two groups. Angelica tenuissima was characterised by the presence of ligustilide and unidentified molecular ions of m/z 239 and 283, while senkyunolide A together with signals with m/z 387 and 389 were the marker compounds for Cnidium officinale. \nConclusion\nElaborating with chemoinformatics, DART-TOF-MS fingerprinting with chemoinformatic tools results in a powerful method for the classification of morphologically similar Umbelliferae medicinal herbs and quality control of medicinal herbal products, including the extracts of these crude drugs. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Lee, Sang Min and Kim, Hye-Jin and Jang, Young Pyo},\n\tyear = {2012},\n\tkeywords = {DART-TOF-MS, DART-TOF-MS; multivariate analysis; OPLS-DA; metabolomics; Umbelliferae; AccuTOF, OPLS-DA, Umbelliferae, metabolomics, multivariate analysis},\n\tpages = {n/a},\n}\n\n\n\n
\n
\n\n\n
\n Introduction It needs many years of special training to gain expertise on the organoleptic classification of botanical raw materials and, even for those experts, discrimination among Umbelliferae medicinal herbs remains an intricate challenge due to their morphological similarity. Objective To develop a new chemometric classification method using a direct analysis in real time–time of flight–mass spectrometry (DART-TOF-MS) fingerprinting for Umbelliferae medicinal herbs and to provide a platform for its application to the discrimination of other herbal medicines. Methodology Angelica tenuissima, Angelica gigas, Angelica dahurica and Cnidium officinale were chosen for this study and ten samples of each species were purchased from various Korean markets. DART-TOF-MS was employed on powdered raw materials to obtain a chemical fingerprint of each sample and the orthogonal partial-least squares method in discriminant analysis (OPLS-DA) was used for multivariate analysis. Results All samples of collected species were successfully discriminated from each other according to their characteristic DART-TOF-MS fingerprint. Decursin (or decursinol angelate) and byakangelicol were identified as marker molecules for Angelica gigas and A. dahurica, respectively. Using the OPLS method for discriminant analysis, Angelica tenuissima and Cnidium officinale were clearly separated into two groups. Angelica tenuissima was characterised by the presence of ligustilide and unidentified molecular ions of m/z 239 and 283, while senkyunolide A together with signals with m/z 387 and 389 were the marker compounds for Cnidium officinale. Conclusion Elaborating with chemoinformatics, DART-TOF-MS fingerprinting with chemoinformatic tools results in a powerful method for the classification of morphologically similar Umbelliferae medicinal herbs and quality control of medicinal herbal products, including the extracts of these crude drugs. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Qualitative screening for adulterants in weight-loss supplements by ion mobility spectrometry.\n \n \n \n \n\n\n \n Dunn, J. D.; Gryniewicz-Ruzicka, C. M.; Mans, D. J.; Mecker-Pogue, L. C.; Kauffman, J. F.; Westenberger, B. J.; and Buhse, L. F.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 71(0): 18–26. December 2012.\n \n\n\n\n
\n\n\n\n \n \n \"QualitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{dunn_qualitative_2012,\n\ttitle = {Qualitative screening for adulterants in weight-loss supplements by ion mobility spectrometry},\n\tvolume = {71},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708512004268},\n\tdoi = {10.1016/j.jpba.2012.07.020},\n\tabstract = {Ion mobility spectrometry (IMS) served as a rapid, qualitative screening tool for the analysis of adulterated weight-loss products. We have previously shown that sibutramine extracted into methanol from dietary supplements can be detected at low levels (2 ng) using a portable IMS spectrometer, and have adapted a similar method for the analysis of additional weight-loss product adulterants. An FDA collaborative study helped to define the limits for fluoxetine with a limit of detection of 2 ng. We also evaluated more readily available, less toxic extraction solvents and found isopropanol and water were comparable to methanol. Isopropanol was favored over water for two reasons: (1) water increases the analysis time and (2) aqueous solutions were more susceptible to pH change, which affected the detection of sibutramine. In addition to sibutamine and fluoxetine, we surveyed 11 weight-loss adulterants; bumetanide, fenfluramine, furosemide, orlistat, phenolphthalein, phentermine, phenytoin, rimonabant, sertraline and two sibutramine analogs, desmethylsibutramine and didesmethylsibutramine, using portable and benchtop ion mobility spectrometers. Out of these 13 active pharmaceutical ingredients (APIs), portable and benchtop ion mobility spectrometers were capable of screening products for 10 of these APIs. The developed procedure was applied to two weight-loss dietary supplements using both portable and benchtop instruments. One product contained didesmethylsibutramine while the other contained didesmethylsibutramine and phenolphthalein.},\n\tnumber = {0},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Dunn, Jamie D. and Gryniewicz-Ruzicka, Connie M. and Mans, Daniel J. and Mecker-Pogue, Laura C. and Kauffman, John F. and Westenberger, Benjamin J. and Buhse, Lucinda F.},\n\tmonth = dec,\n\tyear = {2012},\n\tkeywords = {Hand-held, Herbal dietary supplements, Ion mobility spectrometry, Portable, Weight-loss drugs},\n\tpages = {18--26},\n}\n\n\n\n
\n
\n\n\n
\n Ion mobility spectrometry (IMS) served as a rapid, qualitative screening tool for the analysis of adulterated weight-loss products. We have previously shown that sibutramine extracted into methanol from dietary supplements can be detected at low levels (2 ng) using a portable IMS spectrometer, and have adapted a similar method for the analysis of additional weight-loss product adulterants. An FDA collaborative study helped to define the limits for fluoxetine with a limit of detection of 2 ng. We also evaluated more readily available, less toxic extraction solvents and found isopropanol and water were comparable to methanol. Isopropanol was favored over water for two reasons: (1) water increases the analysis time and (2) aqueous solutions were more susceptible to pH change, which affected the detection of sibutramine. In addition to sibutamine and fluoxetine, we surveyed 11 weight-loss adulterants; bumetanide, fenfluramine, furosemide, orlistat, phenolphthalein, phentermine, phenytoin, rimonabant, sertraline and two sibutramine analogs, desmethylsibutramine and didesmethylsibutramine, using portable and benchtop ion mobility spectrometers. Out of these 13 active pharmaceutical ingredients (APIs), portable and benchtop ion mobility spectrometers were capable of screening products for 10 of these APIs. The developed procedure was applied to two weight-loss dietary supplements using both portable and benchtop instruments. One product contained didesmethylsibutramine while the other contained didesmethylsibutramine and phenolphthalein.\n
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\n \n\n \n \n \n \n \n \n Evaluating a direct swabbing method for screening pesticides on fruit and vegetable surfaces using direct analysis in real time (DART) coupled to an Exactive benchtop orbitrap mass spectrometer.\n \n \n \n \n\n\n \n Crawford, E.; and Musselman, B.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{crawford_evaluating_2012,\n\ttitle = {Evaluating a direct swabbing method for screening pesticides on fruit and vegetable surfaces using direct analysis in real time ({DART}) coupled to an {Exactive} benchtop orbitrap mass spectrometer},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5853-6},\n\tdoi = {10.1007/s00216-012-5853-6},\n\tabstract = {Rapid screening of pesticides present on the surfaces of fruits and vegetables has been facilitated by using a Direct Analysis in Real Time (DART®) open air surface desorption ionization source coupled to an Exactive® high-resolution accurate mass benchtop orbitrap mass spectrometer. The use of cotton and polyester cleaning swabs to collect and retain pesticides for subsequent open air desorption ionization is demonstrated by sampling the surface of various produce to which solutions of pesticides have been applied at levels 10 and 100 times below the tolerance levels established by the United States Environmental Protection Agency (US EPA). Samples analyzed include cherry tomatoes, oranges, peaches and carrots each chosen for their surface characteristics which include: smooth, pitted, fuzzy, and rough respectively. Results from the direct analysis of fungicides on store-bought oranges are also described. In all cases, the swabs were introduced directly into the heated ionizing gas of the DART source resulting in production of protonated pesticide molecules within seconds of sampling. Operation of the orbitrap mass spectrometer at 25,000 full-width half maximum resolution was sufficient to generate high-quality accurate mass data. Stable external mass calibration eliminated the need for addition of standards typically required for mass calibration, thus allowing multiple analyses to be completed without instrument recalibration.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Crawford, Elizabeth and Musselman, Brian},\n\tyear = {2012},\n\tkeywords = {Chemistry and Materials Science},\n\tpages = {1--6},\n}\n\n\n\n
\n
\n\n\n
\n Rapid screening of pesticides present on the surfaces of fruits and vegetables has been facilitated by using a Direct Analysis in Real Time (DART®) open air surface desorption ionization source coupled to an Exactive® high-resolution accurate mass benchtop orbitrap mass spectrometer. The use of cotton and polyester cleaning swabs to collect and retain pesticides for subsequent open air desorption ionization is demonstrated by sampling the surface of various produce to which solutions of pesticides have been applied at levels 10 and 100 times below the tolerance levels established by the United States Environmental Protection Agency (US EPA). Samples analyzed include cherry tomatoes, oranges, peaches and carrots each chosen for their surface characteristics which include: smooth, pitted, fuzzy, and rough respectively. Results from the direct analysis of fungicides on store-bought oranges are also described. In all cases, the swabs were introduced directly into the heated ionizing gas of the DART source resulting in production of protonated pesticide molecules within seconds of sampling. Operation of the orbitrap mass spectrometer at 25,000 full-width half maximum resolution was sufficient to generate high-quality accurate mass data. Stable external mass calibration eliminated the need for addition of standards typically required for mass calibration, thus allowing multiple analyses to be completed without instrument recalibration.\n
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\n \n\n \n \n \n \n \n \n DART-Orbitrap MS: a novel mass spectrometric approach for the identification of phenolic compounds in propolis.\n \n \n \n \n\n\n \n Chernetsova, E.; Bromirski, M.; Scheibner, O.; and Morlock, G.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–9. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DART-OrbitrapPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_dart-orbitrap_2012,\n\ttitle = {{DART}-{Orbitrap} {MS}: a novel mass spectrometric approach for the identification of phenolic compounds in propolis},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5800-6},\n\tabstract = {This is the first direct analysis in real-time mass spectrometry (DART-MS) study of propolis and a first study on the analysis of bee products using high-resolution DART-MS (DART-HRMS). Identification of flavonoids and other phenolic compounds in propolis using direct analysis in real-time coupling with Orbitrap mass spectrometry (DART-Orbitrap MS) was performed in the negative ion mode for minimizing the matrix effects, while the positive ion mode was used for the confirmation of selected compounds. Possible elemental formulae were suggested for marker components. The duration of one sample analysis by DART-MS analysis lasted ca . 30 s, and all benefits of high-resolution mass spectrometry were used upon data processing using the coupling of DART with the Orbitrap mass spectrometer. The possibility for scanning analysis of dried propolis extract spots on a planar porous surface was investigated in the heated gas flow of the DART ion source with adjustable angle. As an independent method, the approach of scanning analysis is of high interest and of future potential for confirmation of the results obtained from liquid sample analysis. Scanning analysis is highly promising for further development in the bioanalytical field due to the convenience of the storage and transportation of dried sample spots.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Chernetsova, Elena and Bromirski, Maciej and Scheibner, Olaf and Morlock, Gertrud},\n\tyear = {2012},\n\tpages = {1--9},\n}\n\n\n\n
\n
\n\n\n
\n This is the first direct analysis in real-time mass spectrometry (DART-MS) study of propolis and a first study on the analysis of bee products using high-resolution DART-MS (DART-HRMS). Identification of flavonoids and other phenolic compounds in propolis using direct analysis in real-time coupling with Orbitrap mass spectrometry (DART-Orbitrap MS) was performed in the negative ion mode for minimizing the matrix effects, while the positive ion mode was used for the confirmation of selected compounds. Possible elemental formulae were suggested for marker components. The duration of one sample analysis by DART-MS analysis lasted ca . 30 s, and all benefits of high-resolution mass spectrometry were used upon data processing using the coupling of DART with the Orbitrap mass spectrometer. The possibility for scanning analysis of dried propolis extract spots on a planar porous surface was investigated in the heated gas flow of the DART ion source with adjustable angle. As an independent method, the approach of scanning analysis is of high interest and of future potential for confirmation of the results obtained from liquid sample analysis. Scanning analysis is highly promising for further development in the bioanalytical field due to the convenience of the storage and transportation of dried sample spots.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry with collision-induced dissociation for structural analysis of synthetic cannabinoids.\n \n \n \n \n\n\n \n Musah, R. A.; Domin, M. A.; Cody, R. B.; Lesiak, A. D.; John Dane, A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(19): 2335–2342. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{musah_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry with collision-induced dissociation for structural analysis of synthetic cannabinoids},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6354},\n\tdoi = {10.1002/rcm.6354},\n\tabstract = {RATIONALE\n\nThe emergence of numerous cannabinoid designer drugs has been tied to large spikes in emergency room visits and overdoses. Identifying these substances is difficult for the following reasons: (1) the compounds are novel, closely structurally related, and do not usually test positive in drug screens; (2) novel analogs rapidly appear on the market; (3) no standard protocols exist for their identification; and (4) customized and extensive sample preparation/extraction and analysis procedures are required to demonstrate their presence. \n\nMETHODS\n\nDirect analysis in real time mass spectrometry (DART-MS) employing collision-induced dissociation (CID) provided confirmatory structural information that was useful in characterizing the various cannabinoid analogs, including those contained in mixtures. CID analysis illustrated that, although closely related compounds fragment in a similar fashion, their structural differences still resulted in multiple diagnostic peaks that provided additional confidence towards structural identification. \n\nRESULTS\n\nDART-MS spectra were acquired under CID conditions to rapidly differentiate among five synthetic cannabinoids contained within 'herbal' products purchased locally in New York State (USA). The spectra exhibited [M+H]+ ions and product ions unique to each cannabinoid that corresponded to major structural features. Five different cannabinoid analogs, alone and as mixtures of at least two cannabinoids, were identified in six herbal products and differentiated by their CID product ion patterns. \n\nCONCLUSIONS\n\nIllicit synthetic cannabinoid products continue to be readily available despite national and international restrictions. These products contain a wide range of active components, and, in many cases, multiple active ingredients. DART-MS allows rapid analyses of these synthetic cannabinoids based on the exact masses of their [M+H]+ ions and product ion peaks generated using CID. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {19},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Domin, Marek A. and Cody, Robert B. and Lesiak, Ashton D. and John Dane, A. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tpages = {2335--2342},\n}\n\n\n\n
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\n RATIONALE The emergence of numerous cannabinoid designer drugs has been tied to large spikes in emergency room visits and overdoses. Identifying these substances is difficult for the following reasons: (1) the compounds are novel, closely structurally related, and do not usually test positive in drug screens; (2) novel analogs rapidly appear on the market; (3) no standard protocols exist for their identification; and (4) customized and extensive sample preparation/extraction and analysis procedures are required to demonstrate their presence. METHODS Direct analysis in real time mass spectrometry (DART-MS) employing collision-induced dissociation (CID) provided confirmatory structural information that was useful in characterizing the various cannabinoid analogs, including those contained in mixtures. CID analysis illustrated that, although closely related compounds fragment in a similar fashion, their structural differences still resulted in multiple diagnostic peaks that provided additional confidence towards structural identification. RESULTS DART-MS spectra were acquired under CID conditions to rapidly differentiate among five synthetic cannabinoids contained within 'herbal' products purchased locally in New York State (USA). The spectra exhibited [M+H]+ ions and product ions unique to each cannabinoid that corresponded to major structural features. Five different cannabinoid analogs, alone and as mixtures of at least two cannabinoids, were identified in six herbal products and differentiated by their CID product ion patterns. CONCLUSIONS Illicit synthetic cannabinoid products continue to be readily available despite national and international restrictions. These products contain a wide range of active components, and, in many cases, multiple active ingredients. DART-MS allows rapid analyses of these synthetic cannabinoids based on the exact masses of their [M+H]+ ions and product ion peaks generated using CID. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Analysis of select Dalbergia and trade timber using direct analysis in real time and time-of-flight mass spectrometry for CITES enforcement.\n \n \n \n \n\n\n \n Lancaster, C.; and Espinoza, E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1147–1156. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{lancaster_analysis_2012,\n\ttitle = {Analysis of select {Dalbergia} and trade timber using direct analysis in real time and time-of-flight mass spectrometry for {CITES} enforcement},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6215},\n\tdoi = {10.1002/rcm.6215},\n\tabstract = {RATIONALE\nInternational trade of several Dalbergia wood species is regulated by The Convention on International Trade in Endangered Species of Wild Fauna and Flora (CITES). In order to supplement morphological identification of these species, a rapid chemical method of analysis was developed. \nMETHODS\nUsing Direct Analysis in Real Time (DART) ionization coupled with Time-of-Flight (TOF) Mass Spectrometry (MS), selected Dalbergia and common trade species were analyzed. Each of the 13 wood species was classified using principal component analysis and linear discriminant analysis (LDA). These statistical data clusters served as reliable anchors for species identification of unknowns. \nRESULTS\nAnalysis of 20 or more samples from the 13 species studied in this research indicates that the DART-TOFMS results are reproducible. Statistical analysis of the most abundant ions gave good classifications that were useful for identifying unknown wood samples. \nCONCLUSIONS\nDART-TOFMS and LDA analysis of 13 species of selected timber samples and the statistical classification allowed for the correct assignment of unknown wood samples. This method is rapid and can be useful when anatomical identification is difficult but needed in order to support CITES enforcement. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Lancaster, Cady and Espinoza, Edgard},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1147--1156},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE International trade of several Dalbergia wood species is regulated by The Convention on International Trade in Endangered Species of Wild Fauna and Flora (CITES). In order to supplement morphological identification of these species, a rapid chemical method of analysis was developed. METHODS Using Direct Analysis in Real Time (DART) ionization coupled with Time-of-Flight (TOF) Mass Spectrometry (MS), selected Dalbergia and common trade species were analyzed. Each of the 13 wood species was classified using principal component analysis and linear discriminant analysis (LDA). These statistical data clusters served as reliable anchors for species identification of unknowns. RESULTS Analysis of 20 or more samples from the 13 species studied in this research indicates that the DART-TOFMS results are reproducible. Statistical analysis of the most abundant ions gave good classifications that were useful for identifying unknown wood samples. CONCLUSIONS DART-TOFMS and LDA analysis of 13 species of selected timber samples and the statistical classification allowed for the correct assignment of unknown wood samples. This method is rapid and can be useful when anatomical identification is difficult but needed in order to support CITES enforcement. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Direct Monitoring of the Role Played by a Stabilizer in a Solid Sample of Polymer Using Direct Analysis in Real Time Mass Spectrometry: The Case of Irgafos 168 in Polyethylene.\n \n \n \n \n\n\n \n Fouyer, K.; Lavastre, O.; and Rondeau, D.\n\n\n \n\n\n\n Analytical Chemistry. September 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fouyer_direct_2012,\n\ttitle = {Direct {Monitoring} of the {Role} {Played} by a {Stabilizer} in a {Solid} {Sample} of {Polymer} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}: {The} {Case} of {Irgafos} 168 in {Polyethylene}},\n\tissn = {0003-2700},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac301759q},\n\tdoi = {10.1021/ac301759q},\n\tabstract = {Direct analysis in real time (DART) ionization method is used with a time-of-flight (TOF) mass spectrometer to perform the analysis of industrial polyethylene pellets free of additives or containing Irgafos 168 as stabilizing agent without any sampling step. The developed analytical method uses the [M + H]+ ion of the bis(2-ethylhexyl) phthalate (DEHP) for performing the exact mass measurements of the stabilizer and polymer ions using the mass drift compensation procedure available on the AccuTOF mass spectrometer. DEHP is in fact a plastic contaminant always presents on the mass spectra of the analyzed samples. The mass spectra allow one to characterize either the ions of the polyethylene and that of the Irgafos. The analysis of thermally treated samples show that the polymer does not undergo any degradation when the Irgafos is present in the bulk of the material, and the role played by the Irgafos 168 is that of an oxygen trapping agent. Under UV exposure, the DART-TOF MS analyses performed on the exposed polyethylene pellets shows that the Irgafos 168 behavior toward the UV radiations is different since this one reacts by cleavages of its P?O bonds to prevent the degradation of the polymer. These interpretations are supported by all the elemental formula determination of the detected ions.},\n\turldate = {2012-10-10},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Fouyer, Kevin and Lavastre, Olivier and Rondeau, David},\n\tmonth = sep,\n\tyear = {2012},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) ionization method is used with a time-of-flight (TOF) mass spectrometer to perform the analysis of industrial polyethylene pellets free of additives or containing Irgafos 168 as stabilizing agent without any sampling step. The developed analytical method uses the [M + H]+ ion of the bis(2-ethylhexyl) phthalate (DEHP) for performing the exact mass measurements of the stabilizer and polymer ions using the mass drift compensation procedure available on the AccuTOF mass spectrometer. DEHP is in fact a plastic contaminant always presents on the mass spectra of the analyzed samples. The mass spectra allow one to characterize either the ions of the polyethylene and that of the Irgafos. The analysis of thermally treated samples show that the polymer does not undergo any degradation when the Irgafos is present in the bulk of the material, and the role played by the Irgafos 168 is that of an oxygen trapping agent. Under UV exposure, the DART-TOF MS analyses performed on the exposed polyethylene pellets shows that the Irgafos 168 behavior toward the UV radiations is different since this one reacts by cleavages of its P?O bonds to prevent the degradation of the polymer. These interpretations are supported by all the elemental formula determination of the detected ions.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time by Mass Spectrometric Technique for Determining the Variation in Metabolite Profiles of Cinnamomum tamala Nees and Eberm Genotypes.\n \n \n \n \n\n\n \n Singh, V.; Gupta, A. K.; Singh, S. P.; and Kumar, A.\n\n\n \n\n\n\n The Scientific World Journal, 2012: 6. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{singh_direct_2012,\n\ttitle = {Direct {Analysis} in {Real} {Time} by {Mass} {Spectrometric} {Technique} for {Determining} the {Variation} in {Metabolite} {Profiles} of {Cinnamomum} tamala {Nees} and {Eberm} {Genotypes}},\n\tvolume = {2012},\n\turl = {http://dx.doi.org/10.1100/2012/549265},\n\tabstract = {Cinnamomum tamala Nees \\& Eberm. is an important traditional  medicinal plant, mentioned in various ancient  literatures such as Ayurveda. Several of its medicinal properties have recently been proved. To characterize diversity in terms of metabolite profiles of Cinnamomum tamala Nees and Eberm genotypes, a newly emerging mass spectral ionization technique direct time in real time (DART) is very helpful. The DART ion source has been used to analyze an extremely wide range of phytochemicals present in leaves of Cinnamomum tamala. Ten genotypes were assessed for the presence of different phytochemicals. Phytochemical analysis showed the presence of mainly terpenes and phenols. These constituents vary in the different genotypes of Cinnamomum tamala. Principal component analysis has also been employed to analyze the DART data of these Cinnamomum genotypes. The result shows that the genotype of Cinnamomum tamala could be differentiated using DART MS data. The active components present in Cinnamomum tamala may be contributing significantly to high amount of antioxidant property of leaves and, in turn, conditional effects for diabetic patients.},\n\tjournal = {The Scientific World Journal},\n\tauthor = {Singh, Vineeta and Gupta, Atul Kumar and Singh, S. P. and Kumar, Anil},\n\tyear = {2012},\n\tpages = {6},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Cinnamomum tamala Nees & Eberm. is an important traditional medicinal plant, mentioned in various ancient literatures such as Ayurveda. Several of its medicinal properties have recently been proved. To characterize diversity in terms of metabolite profiles of Cinnamomum tamala Nees and Eberm genotypes, a newly emerging mass spectral ionization technique direct time in real time (DART) is very helpful. The DART ion source has been used to analyze an extremely wide range of phytochemicals present in leaves of Cinnamomum tamala. Ten genotypes were assessed for the presence of different phytochemicals. Phytochemical analysis showed the presence of mainly terpenes and phenols. These constituents vary in the different genotypes of Cinnamomum tamala. Principal component analysis has also been employed to analyze the DART data of these Cinnamomum genotypes. The result shows that the genotype of Cinnamomum tamala could be differentiated using DART MS data. The active components present in Cinnamomum tamala may be contributing significantly to high amount of antioxidant property of leaves and, in turn, conditional effects for diabetic patients.\n
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\n \n\n \n \n \n \n \n \n Ambient analysis by thermal desorption atmospheric pressure photoionization.\n \n \n \n \n\n\n \n Jorabchi, K.; Hanold, K.; and Syage, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–8. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
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@article{jorabchi_ambient_2012,\n\ttitle = {Ambient analysis by thermal desorption atmospheric pressure photoionization},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-6536-z},\n\tdoi = {10.1007/s00216-012-6536-z},\n\tabstract = {Ambient mass spectrometry has attracted substantial attention in recent years. Among ambient ionization methods, thermal desorption ionization stands out because of two attributes: (1) simplicity, rendering the technique suitable for in-field applications, and (2) ability to couple with a variety of gas-phase ionization methods thereby broadening the range of molecules that can be analyzed with this method. Here, we report on improving the performance of a direct analysis in real time (DART) source by implementing atmospheric pressure photoionization (APPI) downstream of the desorption region. At identical desorption and ion sampling conditions, APPI leads to detection of radical molecular ions from non-polar compounds that are absent from the spectra generated by DART alone. Moreover, a factor of 3–5 improvement in sensitivity is observed using APPI for positive ions commonly detected by DART and DART-APPI. Using helium and nitrogen as desorption gases, APPI shows identical performance regardless of desorption gas type. In contrast, a dramatic decrease in sensitivity is observed for DART operated with nitrogen compared to DART with helium. Comparable performance for DART and DART-APPI are observed in negative ion mode, although both show a drastic improvement in the absence of the Vapur interface. This interface creates a differentially pumped chamber prior to inlet of the mass spectrometer and reduces the mass spectrometer gas load when helium is used as desorption gas.},\n\tlanguage = {English},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Jorabchi, Kaveh and Hanold, Karl and Syage, Jack},\n\tmonth = nov,\n\tyear = {2012},\n\tkeywords = {Ambient mass spectrometry, Direct analysis in real time, Photoionization},\n\tpages = {1--8},\n}\n\n\n\n
\n
\n\n\n
\n Ambient mass spectrometry has attracted substantial attention in recent years. Among ambient ionization methods, thermal desorption ionization stands out because of two attributes: (1) simplicity, rendering the technique suitable for in-field applications, and (2) ability to couple with a variety of gas-phase ionization methods thereby broadening the range of molecules that can be analyzed with this method. Here, we report on improving the performance of a direct analysis in real time (DART) source by implementing atmospheric pressure photoionization (APPI) downstream of the desorption region. At identical desorption and ion sampling conditions, APPI leads to detection of radical molecular ions from non-polar compounds that are absent from the spectra generated by DART alone. Moreover, a factor of 3–5 improvement in sensitivity is observed using APPI for positive ions commonly detected by DART and DART-APPI. Using helium and nitrogen as desorption gases, APPI shows identical performance regardless of desorption gas type. In contrast, a dramatic decrease in sensitivity is observed for DART operated with nitrogen compared to DART with helium. Comparable performance for DART and DART-APPI are observed in negative ion mode, although both show a drastic improvement in the absence of the Vapur interface. This interface creates a differentially pumped chamber prior to inlet of the mass spectrometer and reduces the mass spectrometer gas load when helium is used as desorption gas.\n
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\n \n\n \n \n \n \n \n \n Study of the distribution profile of piperidine alkaloids in various parts of Prosopis juliflora by the application of Direct Analysis in Real Time Mass Spectrometry (DART-MS).\n \n \n \n \n\n\n \n Singh, S.; and Verma, S.\n\n\n \n\n\n\n Natural Products and Bioprospecting,1–4. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"StudyPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{singh_study_2012,\n\ttitle = {Study of the distribution profile of piperidine alkaloids in various parts of {Prosopis} juliflora by the application of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS})},\n\turl = {http://dx.doi.org/10.1007/s13659-012-0069-1},\n\tabstract = {Direct Analysis in Real Time Mass Spectrometry (DART-MS) was applied to identify and study the distribution profile of piperidine alkaloids in different parts of Prosopis juliflora, without isolation and separation of the compounds by standard chromatographic techniques. With the help of DART-MS, chemical fingerprint of raw plant parts were generated, which revealed the presence of piperidine alkaloids in leaf, pod and flower. A comparative study of the distribution pattern, showed variation in the presence and distribution of these alkaloids in various parts of P. juliflora. The leaves and pod displayed the largest alkaloid pattern with a total of 12 different alkaloids in each part, whereas only 4 alkaloids were present in flower. Alkaloids: julifloridine, prosopine, prosopinine and prosafrinine were ubiquitously distributed in all the alkaloid rich plant parts. Juliprosopine was pre-eminet alkaloid in leaf, whereas pod and flower displayed copious amounts of julifloridine.},\n\tjournal = {Natural Products and Bioprospecting},\n\tauthor = {Singh, Shachi and Verma, SanjayKumar},\n\tyear = {2012},\n\tkeywords = {julifloridine},\n\tpages = {1--4},\n}\n\n\n\n
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\n Direct Analysis in Real Time Mass Spectrometry (DART-MS) was applied to identify and study the distribution profile of piperidine alkaloids in different parts of Prosopis juliflora, without isolation and separation of the compounds by standard chromatographic techniques. With the help of DART-MS, chemical fingerprint of raw plant parts were generated, which revealed the presence of piperidine alkaloids in leaf, pod and flower. A comparative study of the distribution pattern, showed variation in the presence and distribution of these alkaloids in various parts of P. juliflora. The leaves and pod displayed the largest alkaloid pattern with a total of 12 different alkaloids in each part, whereas only 4 alkaloids were present in flower. Alkaloids: julifloridine, prosopine, prosopinine and prosafrinine were ubiquitously distributed in all the alkaloid rich plant parts. Juliprosopine was pre-eminet alkaloid in leaf, whereas pod and flower displayed copious amounts of julifloridine.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART) Mass Spectrometry of Adulterants in Herbal Slimming Products using a Tandem Quadrupole MS and Data Directed Analysis.\n \n \n \n\n\n \n Jones, M.; Twohig, M; Yu, K; Balogh, M; Tice, J; and Musselman, B\n\n\n \n\n\n\n Planta Med, 78(05): P_127. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{jones_direct_2012,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry} of {Adulterants} in {Herbal} {Slimming} {Products} using a {Tandem} {Quadrupole} {MS} and {Data} {Directed} {Analysis}},\n\tvolume = {78},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0032-1307635},\n\tabstract = {Several troubling studies show the adulteration of herbal slimming products with sibutramine is a common occurrence. Recent reports suggesting an increased risk of serious cardiovascular events (such as heart attack or stroke) in patients with known cardiovascular disease taking sibutramine have prompted the European Medicines Agency (EMA) to recommend that the use of sibutramine be suspended. The aim of this study is to develop specific methods for the rapid screening of herbal medicines for illicit adulteration with pharmaceutical drugs.\n\nHerbal slimming aids were purchased over the internet from store websites and auction sites. Samples were analysed using a direct analysis in real time (DART) interface and a tandem quadrupole mass spectrometer. Samples purchased over the internet were found to contain undeclared pharmaceutical substances with the main component being sibutramine, an appetite suppressant used in the treatment of obesity. In addition to sibutramine, phenolphthalein and sildenafil were also identified none of which were declared on the box or enclosed information.\n\nDuring our study we were able to identify nine samples that had been contaminated by sibutramine. DART with data directed analysis of the sample using a data directed high low collision energy experiment provides simultaneous intact molecular ion and fragmentation information, while allowing samples to be analysed very rapidly and without the need for complex sample preparation or chromatography. The testing of unlicensed herbal medicines and herbal dietary supplements are vital functions due to the possibility of illegal adulteration and/or contamination and the potential that exists for adverse health effects to unsuspecting consumers.},\n\tnumber = {05},\n\tjournal = {Planta Med},\n\tauthor = {Jones, MD and Twohig, M and Yu, K and Balogh, M and Tice, J and Musselman, B},\n\tyear = {2012},\n\tpages = {P\\_127},\n}\n\n\n\n
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\n Several troubling studies show the adulteration of herbal slimming products with sibutramine is a common occurrence. Recent reports suggesting an increased risk of serious cardiovascular events (such as heart attack or stroke) in patients with known cardiovascular disease taking sibutramine have prompted the European Medicines Agency (EMA) to recommend that the use of sibutramine be suspended. The aim of this study is to develop specific methods for the rapid screening of herbal medicines for illicit adulteration with pharmaceutical drugs. Herbal slimming aids were purchased over the internet from store websites and auction sites. Samples were analysed using a direct analysis in real time (DART) interface and a tandem quadrupole mass spectrometer. Samples purchased over the internet were found to contain undeclared pharmaceutical substances with the main component being sibutramine, an appetite suppressant used in the treatment of obesity. In addition to sibutramine, phenolphthalein and sildenafil were also identified none of which were declared on the box or enclosed information. During our study we were able to identify nine samples that had been contaminated by sibutramine. DART with data directed analysis of the sample using a data directed high low collision energy experiment provides simultaneous intact molecular ion and fragmentation information, while allowing samples to be analysed very rapidly and without the need for complex sample preparation or chromatography. The testing of unlicensed herbal medicines and herbal dietary supplements are vital functions due to the possibility of illegal adulteration and/or contamination and the potential that exists for adverse health effects to unsuspecting consumers.\n
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\n \n\n \n \n \n \n \n Ambient mass spectrometry for extractionless analyses of plants: Holy Grail, useful tool or hoax?.\n \n \n \n\n\n \n van Beek, T.; Shen, Y; Verweij, T; Villela, A; and Claassen, F\n\n\n \n\n\n\n Planta Med, 78(11): CL44. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{van_beek_ambient_2012,\n\ttitle = {Ambient mass spectrometry for extractionless analyses of plants: {Holy} {Grail}, useful tool or hoax?},\n\tvolume = {78},\n\tissn = {0032-0943},\n\tdoi = {10.1055/s-0032-1320279},\n\tabstract = {Ambient mass spectrometry allows sampling on your benchtop at atmospheric pressure and often without any sample preparation. A short overview of ambient MS is given including ionisation mechanisms and new exciting developments such as leaf spray. Direct Analysis in Real Time (DART) and Desorption Electrospray Ionisation (DESI) applications from the author's group in the field of natural products chemistry are presented. In particular DART-MS is a versatile, easy to handle and fast technique allowing even quantitative measurements of secondary plant metabolites such as alkaloids, terpenes (Ginkgo, star anise) and flavonoids. Fig. A shows the DART-MS of toxic Japanese star anise with a clear peak for the neurotoxin anisatin at m/z 327.107. Chinese star anise lacks this peak (Fig. B). This result was obtained in seconds without any sample preparation. In combination with high-resolution MS it can be used for quality control, adulteration detection, metabolomics and screening of herbal products. It can also be hyphenated to HPLC or TLC. A comparison of DART and DESI-MS in terms of scope, figures of merit and limitations is made.},\n\tnumber = {11},\n\tjournal = {Planta Med},\n\tauthor = {van Beek, TA and Shen, Y and Verweij, T and Villela, A and Claassen, F},\n\tyear = {2012},\n\tpages = {CL44},\n}\n\n\n\n
\n
\n\n\n
\n Ambient mass spectrometry allows sampling on your benchtop at atmospheric pressure and often without any sample preparation. A short overview of ambient MS is given including ionisation mechanisms and new exciting developments such as leaf spray. Direct Analysis in Real Time (DART) and Desorption Electrospray Ionisation (DESI) applications from the author's group in the field of natural products chemistry are presented. In particular DART-MS is a versatile, easy to handle and fast technique allowing even quantitative measurements of secondary plant metabolites such as alkaloids, terpenes (Ginkgo, star anise) and flavonoids. Fig. A shows the DART-MS of toxic Japanese star anise with a clear peak for the neurotoxin anisatin at m/z 327.107. Chinese star anise lacks this peak (Fig. B). This result was obtained in seconds without any sample preparation. In combination with high-resolution MS it can be used for quality control, adulteration detection, metabolomics and screening of herbal products. It can also be hyphenated to HPLC or TLC. A comparison of DART and DESI-MS in terms of scope, figures of merit and limitations is made.\n
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\n \n\n \n \n \n \n \n \n Coupling of planar chromatography with Direct Analysis in Real Time mass spectrometry.\n \n \n \n \n\n\n \n Morlock, G.; and Chernetsova, E.\n\n\n \n\n\n\n Central European Journal of Chemistry, 10(3): 703–710. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"CouplingPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{morlock_coupling_2012,\n\ttitle = {Coupling of planar chromatography with {Direct} {Analysis} in {Real} {Time} mass spectrometry},\n\tvolume = {10},\n\tissn = {1895-1066},\n\turl = {http://dx.doi.org/10.2478/s11532-012-0025-2},\n\tabstract = {Direct Analysis in Real Time mass spectrometry (DART-MS) is an emerging and rapidly developing area of ambient desorption ionization mass spectrometric techniques. Its coupling with planar chromatography is especially promising, as compared to other ambient desorption ionization techniques, because it does not require the use of liquids that may distort the shape of a spot by diffusion effects. In the first publications on TLC/HPTLC-DART-MS, due to the fixed, horizontally aligned supply of the gas flow from the DART ionization source to the MS inlet, the introduction of HPTLC/TLC plates as cut strips was inconvenient for quantitation, and the repeatability was very low due to the manual positioning. Recently a new version of the DART ion source was suggested, which allows adjusting the angle of the DART gas stream and the use of a motorized rail, thereby, improving highly the capabilities of TLC/HPTLC-DART-MS. This comprehensive review describes the development and analytical capabilities of TLC/HPTLC-DART-MS, and the general DART-MS perspectives for surface analysis or imaging MS.},\n\tnumber = {3},\n\tjournal = {Central European Journal of Chemistry},\n\tauthor = {Morlock, Gertrud and Chernetsova, Elena},\n\tyear = {2012},\n\tpages = {703--710},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time mass spectrometry (DART-MS) is an emerging and rapidly developing area of ambient desorption ionization mass spectrometric techniques. Its coupling with planar chromatography is especially promising, as compared to other ambient desorption ionization techniques, because it does not require the use of liquids that may distort the shape of a spot by diffusion effects. In the first publications on TLC/HPTLC-DART-MS, due to the fixed, horizontally aligned supply of the gas flow from the DART ionization source to the MS inlet, the introduction of HPTLC/TLC plates as cut strips was inconvenient for quantitation, and the repeatability was very low due to the manual positioning. Recently a new version of the DART ion source was suggested, which allows adjusting the angle of the DART gas stream and the use of a motorized rail, thereby, improving highly the capabilities of TLC/HPTLC-DART-MS. This comprehensive review describes the development and analytical capabilities of TLC/HPTLC-DART-MS, and the general DART-MS perspectives for surface analysis or imaging MS.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry: rapid analysis of soft medicinal formulations.\n \n \n \n \n\n\n \n Abramovich, R.; and Revel’skii, I.\n\n\n \n\n\n\n Pharmaceutical Chemistry Journal, 45(11): 698–700. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{abramovich_dart_2012,\n\ttitle = {{DART} mass spectrometry: rapid analysis of soft medicinal formulations},\n\tvolume = {45},\n\tissn = {0091-150X},\n\turl = {http://dx.doi.org/10.1007/s11094-012-0705-4},\n\tabstract = {The possibility of using the DART mass spectrometry method for rapid analysis of soft medicinal formulations is considered. Studies of “tetracycline”, “Sintomycin Liniment”, and “Levomecol” creams and suppositories based on hard fat were studied. The possibility of using this method for the rapid screening of medicinal formulations in search of counterfeits is discussed. This is the first report of the analysis of suppositories using DART mass spectrometry.},\n\tnumber = {11},\n\tjournal = {Pharmaceutical Chemistry Journal},\n\tauthor = {Abramovich, R. and Revel’skii, I.},\n\tyear = {2012},\n\tpages = {698--700},\n}\n\n\n\n
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\n The possibility of using the DART mass spectrometry method for rapid analysis of soft medicinal formulations is considered. Studies of “tetracycline”, “Sintomycin Liniment”, and “Levomecol” creams and suppositories based on hard fat were studied. The possibility of using this method for the rapid screening of medicinal formulations in search of counterfeits is discussed. This is the first report of the analysis of suppositories using DART mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Rapid analysis of caffeine in various coffee samples employing direct analysis in real-time ionization–high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Danhelova, H.; Hradecky, J.; Prinosilova, S.; Cajka, T.; Riddellova, K.; Vaclavik, L.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 403(10): 2883–2889. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{danhelova_rapid_2012,\n\ttitle = {Rapid analysis of caffeine in various coffee samples employing direct analysis in real-time ionization–high-resolution mass spectrometry},\n\tvolume = {403},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5820-2},\n\tabstract = {The development and use of a fast method employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) for the quantitative analysis of caffeine in various coffee samples has been demonstrated in this study. A simple sample extraction procedure employing hot water was followed by direct, high-throughput (\\&lt;1 min per run) examination of the extracts spread on a glass rod under optimized conditions of ambient mass spectrometry, without any prior chromatographic separation. For quantification of caffeine using DART-TOFMS, an external calibration was used. Isotopically labeled caffeine was used to compensate for the variations of the ion intensities of caffeine signal. Recoveries of the DART-TOFMS method were 97\\% for instant coffee at the spiking levels of 20 and 60 mg/g, respectively, while for roasted ground coffee, the obtained values were 106\\% and 107\\% at the spiking levels of 10 and 30 mg/g, respectively. The repeatability of the whole analytical procedure (expressed as relative standard deviation, RSD, \\%) was \\&lt;5\\% for all tested spiking levels and matrices. Since the linearity range of the method was relatively narrow (two orders of magnitude), an optimization of sample dilution prior the DART-TOFMS measurement to avoid saturation of the detector was needed.},\n\tnumber = {10},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Danhelova, Hana and Hradecky, Jaromir and Prinosilova, Sarka and Cajka, Tomas and Riddellova, Katerina and Vaclavik, Lukas and Hajslova, Jana},\n\tyear = {2012},\n\tpages = {2883--2889},\n}\n\n\n\n
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\n The development and use of a fast method employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) for the quantitative analysis of caffeine in various coffee samples has been demonstrated in this study. A simple sample extraction procedure employing hot water was followed by direct, high-throughput (<1 min per run) examination of the extracts spread on a glass rod under optimized conditions of ambient mass spectrometry, without any prior chromatographic separation. For quantification of caffeine using DART-TOFMS, an external calibration was used. Isotopically labeled caffeine was used to compensate for the variations of the ion intensities of caffeine signal. Recoveries of the DART-TOFMS method were 97% for instant coffee at the spiking levels of 20 and 60 mg/g, respectively, while for roasted ground coffee, the obtained values were 106% and 107% at the spiking levels of 10 and 30 mg/g, respectively. The repeatability of the whole analytical procedure (expressed as relative standard deviation, RSD, %) was <5% for all tested spiking levels and matrices. Since the linearity range of the method was relatively narrow (two orders of magnitude), an optimization of sample dilution prior the DART-TOFMS measurement to avoid saturation of the detector was needed.\n
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\n \n\n \n \n \n \n \n \n DART-Orbitrap MS: a novel mass spectrometric approach for the identification of phenolic compounds in propolis.\n \n \n \n \n\n\n \n Chernetsova, E.; Bromirski, M.; Scheibner, O.; and Morlock, G.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 403(10): 2859–2867. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DART-OrbitrapPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_dart-orbitrap_2012,\n\ttitle = {{DART}-{Orbitrap} {MS}: a novel mass spectrometric approach for the identification of phenolic compounds in propolis},\n\tvolume = {403},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5800-6},\n\tabstract = {This is the first direct analysis in real-time mass spectrometry (DART-MS) study of propolis and a first study on the analysis of bee products using high-resolution DART-MS (DART-HRMS). Identification of flavonoids and other phenolic compounds in propolis using direct analysis in real-time coupling with Orbitrap mass spectrometry (DART-Orbitrap MS) was performed in the negative ion mode for minimizing the matrix effects, while the positive ion mode was used for the confirmation of selected compounds. Possible elemental formulae were suggested for marker components. The duration of one sample analysis by DART-MS analysis lasted ca . 30 s, and all benefits of high-resolution mass spectrometry were used upon data processing using the coupling of DART with the Orbitrap mass spectrometer. The possibility for scanning analysis of dried propolis extract spots on a planar porous surface was investigated in the heated gas flow of the DART ion source with adjustable angle. As an independent method, the approach of scanning analysis is of high interest and of future potential for confirmation of the results obtained from liquid sample analysis. Scanning analysis is highly promising for further development in the bioanalytical field due to the convenience of the storage and transportation of dried sample spots.},\n\tnumber = {10},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Chernetsova, Elena and Bromirski, Maciej and Scheibner, Olaf and Morlock, Gertrud},\n\tyear = {2012},\n\tpages = {2859--2867},\n}\n\n\n\n
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\n This is the first direct analysis in real-time mass spectrometry (DART-MS) study of propolis and a first study on the analysis of bee products using high-resolution DART-MS (DART-HRMS). Identification of flavonoids and other phenolic compounds in propolis using direct analysis in real-time coupling with Orbitrap mass spectrometry (DART-Orbitrap MS) was performed in the negative ion mode for minimizing the matrix effects, while the positive ion mode was used for the confirmation of selected compounds. Possible elemental formulae were suggested for marker components. The duration of one sample analysis by DART-MS analysis lasted ca . 30 s, and all benefits of high-resolution mass spectrometry were used upon data processing using the coupling of DART with the Orbitrap mass spectrometer. The possibility for scanning analysis of dried propolis extract spots on a planar porous surface was investigated in the heated gas flow of the DART ion source with adjustable angle. As an independent method, the approach of scanning analysis is of high interest and of future potential for confirmation of the results obtained from liquid sample analysis. Scanning analysis is highly promising for further development in the bioanalytical field due to the convenience of the storage and transportation of dried sample spots.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry for the rapid identification of four highly hazardous pesticides in agrochemicals.\n \n \n \n \n\n\n \n Wang, L.; Zhao, P.; Zhang, F.; Li, Y.; and Pan, C.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(16): 1859–1867. 2012.\n 00009\n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{wang_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry for the rapid identification of four highly hazardous pesticides in agrochemicals},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6274},\n\tdoi = {10.1002/rcm.6274},\n\tabstract = {RATIONALE\nDirect analysis in real time (DART) is a new ion source technique, which is conducted in the open air under ambient conditions, applied to the rapid and direct analysis of any material (gases, liquids, and solids) with minimal or no sample preparation. In order to take advantage of the capacity of DART mass spectrometry for the real-time analysis of hazardous ingredients in commercial agrochemicals, a pilot study of rapid qualitative determination of hazardous pesticides was performed. \nMETHODS\nHighly hazardous pesticides were identified by DART ionization coupled to a single-quadrupole mass spectrometer (DART-MS). Acetonitrile was chosen for dissolving samples prior to the analysis. Samples were analyzed by this technique in as little as 5 s. \nRESULTS\nPhorate, carbofuran, ethoprophos and fipronil were be detected directly from commercial agrochemicals. The ionization-related parameters (DART temperature, grid voltage and MS fragment) of these compounds were optimized to obtain highly response. Isotope patterns were taken into consideration for qualitative identification. Relative standard deviations (RSDs, n = 5) of 2.3–15.0\\% were obtained by measuring the relative abundance of selected isotopes. \nCONCLUSIONS\nThis study showed that DART-MS technology was able to qualitatively determine the existence of highly hazardous pesticides in commercial pesticide formulations. It is suggested that this technology should be applied for routine monitoring in the market. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {16},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Wang, Lei and Zhao, Pengyue and Zhang, Fengzu and Li, Yanjie and Pan, Canping},\n\tyear = {2012},\n\tnote = {00009},\n\tpages = {1859--1867},\n}\n\n\n\n
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\n RATIONALE Direct analysis in real time (DART) is a new ion source technique, which is conducted in the open air under ambient conditions, applied to the rapid and direct analysis of any material (gases, liquids, and solids) with minimal or no sample preparation. In order to take advantage of the capacity of DART mass spectrometry for the real-time analysis of hazardous ingredients in commercial agrochemicals, a pilot study of rapid qualitative determination of hazardous pesticides was performed. METHODS Highly hazardous pesticides were identified by DART ionization coupled to a single-quadrupole mass spectrometer (DART-MS). Acetonitrile was chosen for dissolving samples prior to the analysis. Samples were analyzed by this technique in as little as 5 s. RESULTS Phorate, carbofuran, ethoprophos and fipronil were be detected directly from commercial agrochemicals. The ionization-related parameters (DART temperature, grid voltage and MS fragment) of these compounds were optimized to obtain highly response. Isotope patterns were taken into consideration for qualitative identification. Relative standard deviations (RSDs, n = 5) of 2.3–15.0% were obtained by measuring the relative abundance of selected isotopes. CONCLUSIONS This study showed that DART-MS technology was able to qualitatively determine the existence of highly hazardous pesticides in commercial pesticide formulations. It is suggested that this technology should be applied for routine monitoring in the market. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Identification, extraction and quantification of the synthetic cannabinoid JWH-018 from commercially available herbal marijuana alternatives.\n \n \n \n \n\n\n \n Dunham, S. J.; Hooker, P. D.; and Hyde, R. M.\n\n\n \n\n\n\n Forensic science international, 223(1): 241–244. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"Identification,Paper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{dunham_identification_2012,\n\ttitle = {Identification, extraction and quantification of the synthetic cannabinoid {JWH}-018 from commercially available herbal marijuana alternatives},\n\tvolume = {223},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073812004471},\n\tabstract = {In this work, methods for the rapid identification, extraction, and quantification of the synthetic cannabinoid, JWH-018, from commercially available “Spice” (a herbal marijuana alternative) are presented. JWH-018 was identified in three different products using time-of-flight (TOF) mass spectrometry coupled with a direct analysis in real time (DART) ionization source, a process that was completed in less then five minutes and required no sample preparation. Extraction of the JWH-018 from the spice samples using an automated accelerated solvent extraction (ASE) instrument provided clean extracts with few plant pigments. Subsequent quantification by isocratic HPLC produced the following results (mg JWH-018/g plant material): Weekend Warrior brand “Hash”: 90 (±3\\%)mg/g, Weekend Warrior brand “Leaf”: 29 (±6\\%)mg/g, TrainWreck Hayze brand: 28 (±4\\%)mg/g. Vegetative samples spiked with JWH-018 gave a recovery of 97\\% (±1\\%).},\n\tnumber = {1},\n\tjournal = {Forensic science international},\n\tauthor = {Dunham, Sage J.B. and Hooker, Paul D. and Hyde, Robyn M.},\n\tmonth = nov,\n\tyear = {2012},\n\tkeywords = {Accelerated solvent extraction, DART–mass spectrometry, Herbal marijuana alternative, JWH-018, Spice, Synthetic marijuana},\n\tpages = {241--244},\n}\n\n\n\n
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\n In this work, methods for the rapid identification, extraction, and quantification of the synthetic cannabinoid, JWH-018, from commercially available “Spice” (a herbal marijuana alternative) are presented. JWH-018 was identified in three different products using time-of-flight (TOF) mass spectrometry coupled with a direct analysis in real time (DART) ionization source, a process that was completed in less then five minutes and required no sample preparation. Extraction of the JWH-018 from the spice samples using an automated accelerated solvent extraction (ASE) instrument provided clean extracts with few plant pigments. Subsequent quantification by isocratic HPLC produced the following results (mg JWH-018/g plant material): Weekend Warrior brand “Hash”: 90 (±3%)mg/g, Weekend Warrior brand “Leaf”: 29 (±6%)mg/g, TrainWreck Hayze brand: 28 (±4%)mg/g. Vegetative samples spiked with JWH-018 gave a recovery of 97% (±1%).\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry combined with single-drop liquid–liquid–liquid microextraction for the rapid analysis of multiple phytohormones in fruit juice.\n \n \n \n \n\n\n \n Bai, Y.; Zhang, J.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 403(8): 2307–2314. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{bai_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry combined with single-drop liquid–liquid–liquid microextraction for the rapid analysis of multiple phytohormones in fruit juice},\n\tvolume = {403},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5728-x},\n\tdoi = {10.1007/s00216-012-5728-x},\n\tabstract = {A rapid, simple, and efficient method for the fast determination of multiple phytohormones was developed in this work, based on single-drop liquid–liquid–liquid microextraction (SD-LLLME) combined with direct analysis in real-time mass spectrometry (DART-MS). Six phytohormones—indole-3-acetic acid (IAA), indole-3-butyric acid (IBA), jasmonic acid (JA), salicylic acid (SA), abscisic acid (ABA), and gibberellin A 3 (GA 3 )—were analyzed simultaneously using this method, and the conditions employed for DART-MS and SD-LLLME were optimized systematically. Satisfactory results were obtained in terms of linearity ( R 2 values for all phytohormones were 0.991–0.996), sensitivity (limits of detection were 0.65–72 ng/mL), and repeatability (RSD values were 6.9–14\\%). In addition, the proposed method was applied to determine the endogenous phytohormones in three kinds of fruit juice. Different concentrations of phytohormones were detected with satisfactory recoveries, and the whole analytical procedure took no more than 30 min. Therefore, this combination of SD-LLLME and DART-MS was shown to be a suitable and effective approach for the fast analysis of targets present at trace level concentrations in complex matrices.},\n\tnumber = {8},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Bai, Yu and Zhang, Jialing and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {Chemistry and Materials Science},\n\tpages = {2307--2314},\n}\n\n\n\n
\n
\n\n\n
\n A rapid, simple, and efficient method for the fast determination of multiple phytohormones was developed in this work, based on single-drop liquid–liquid–liquid microextraction (SD-LLLME) combined with direct analysis in real-time mass spectrometry (DART-MS). Six phytohormones—indole-3-acetic acid (IAA), indole-3-butyric acid (IBA), jasmonic acid (JA), salicylic acid (SA), abscisic acid (ABA), and gibberellin A 3 (GA 3 )—were analyzed simultaneously using this method, and the conditions employed for DART-MS and SD-LLLME were optimized systematically. Satisfactory results were obtained in terms of linearity ( R 2 values for all phytohormones were 0.991–0.996), sensitivity (limits of detection were 0.65–72 ng/mL), and repeatability (RSD values were 6.9–14%). In addition, the proposed method was applied to determine the endogenous phytohormones in three kinds of fruit juice. Different concentrations of phytohormones were detected with satisfactory recoveries, and the whole analytical procedure took no more than 30 min. Therefore, this combination of SD-LLLME and DART-MS was shown to be a suitable and effective approach for the fast analysis of targets present at trace level concentrations in complex matrices.\n
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\n \n\n \n \n \n \n \n \n Evaluating a direct swabbing method for screening pesticides on fruit and vegetable surfaces using direct analysis in real time (DART) coupled to an Exactive benchtop orbitrap mass spectrometer.\n \n \n \n \n\n\n \n Crawford, E.; and Musselman, B.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 403(10): 2807–2812. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{crawford_evaluating_2012,\n\ttitle = {Evaluating a direct swabbing method for screening pesticides on fruit and vegetable surfaces using direct analysis in real time ({DART}) coupled to an {Exactive} benchtop orbitrap mass spectrometer},\n\tvolume = {403},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5853-6},\n\tdoi = {10.1007/s00216-012-5853-6},\n\tabstract = {Rapid screening of pesticides present on the surfaces of fruits and vegetables has been facilitated by using a Direct Analysis in Real Time (DART®) open air surface desorption ionization source coupled to an Exactive® high-resolution accurate mass benchtop orbitrap mass spectrometer. The use of cotton and polyester cleaning swabs to collect and retain pesticides for subsequent open air desorption ionization is demonstrated by sampling the surface of various produce to which solutions of pesticides have been applied at levels 10 and 100 times below the tolerance levels established by the United States Environmental Protection Agency (US EPA). Samples analyzed include cherry tomatoes, oranges, peaches and carrots each chosen for their surface characteristics which include: smooth, pitted, fuzzy, and rough respectively. Results from the direct analysis of fungicides on store-bought oranges are also described. In all cases, the swabs were introduced directly into the heated ionizing gas of the DART source resulting in production of protonated pesticide molecules within seconds of sampling. Operation of the orbitrap mass spectrometer at 25,000 full-width half maximum resolution was sufficient to generate high-quality accurate mass data. Stable external mass calibration eliminated the need for addition of standards typically required for mass calibration, thus allowing multiple analyses to be completed without instrument recalibration.},\n\tnumber = {10},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Crawford, Elizabeth and Musselman, Brian},\n\tyear = {2012},\n\tkeywords = {Chemistry and Materials Science},\n\tpages = {2807--2812},\n}\n\n\n\n
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\n\n\n
\n Rapid screening of pesticides present on the surfaces of fruits and vegetables has been facilitated by using a Direct Analysis in Real Time (DART®) open air surface desorption ionization source coupled to an Exactive® high-resolution accurate mass benchtop orbitrap mass spectrometer. The use of cotton and polyester cleaning swabs to collect and retain pesticides for subsequent open air desorption ionization is demonstrated by sampling the surface of various produce to which solutions of pesticides have been applied at levels 10 and 100 times below the tolerance levels established by the United States Environmental Protection Agency (US EPA). Samples analyzed include cherry tomatoes, oranges, peaches and carrots each chosen for their surface characteristics which include: smooth, pitted, fuzzy, and rough respectively. Results from the direct analysis of fungicides on store-bought oranges are also described. In all cases, the swabs were introduced directly into the heated ionizing gas of the DART source resulting in production of protonated pesticide molecules within seconds of sampling. Operation of the orbitrap mass spectrometer at 25,000 full-width half maximum resolution was sufficient to generate high-quality accurate mass data. Stable external mass calibration eliminated the need for addition of standards typically required for mass calibration, thus allowing multiple analyses to be completed without instrument recalibration.\n
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\n \n\n \n \n \n \n \n \n Chemometric Classification of Morphologically Similar Umbelliferae Medicinal Herbs by DART-TOF-MS Fingerprint.\n \n \n \n \n\n\n \n Lee, S. M.; Kim, H.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis, 23(5): 508–512. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ChemometricPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{lee_chemometric_2012,\n\ttitle = {Chemometric {Classification} of {Morphologically} {Similar} {Umbelliferae} {Medicinal} {Herbs} by {DART}-{TOF}-{MS} {Fingerprint}},\n\tvolume = {23},\n\tissn = {1099-1565},\n\turl = {http://dx.doi.org/10.1002/pca.2348},\n\tdoi = {10.1002/pca.2348},\n\tabstract = {Introduction\nIt needs many years of special training to gain expertise on the organoleptic classification of botanical raw materials and, even for those experts, discrimination among Umbelliferae medicinal herbs remains an intricate challenge due to their morphological similarity. \nObjective\nTo develop a new chemometric classification method using a direct analysis in real time–time of flight–mass spectrometry (DART-TOF-MS) fingerprinting for Umbelliferae medicinal herbs and to provide a platform for its application to the discrimination of other herbal medicines. \nMethodology\nAngelica tenuissima, Angelica gigas, Angelica dahurica and Cnidium officinale were chosen for this study and ten samples of each species were purchased from various Korean markets. DART-TOF-MS was employed on powdered raw materials to obtain a chemical fingerprint of each sample and the orthogonal partial-least squares method in discriminant analysis (OPLS-DA) was used for multivariate analysis. \nResults\nAll samples of collected species were successfully discriminated from each other according to their characteristic DART-TOF-MS fingerprint. Decursin (or decursinol angelate) and byakangelicol were identified as marker molecules for Angelica gigas and A. dahurica, respectively. Using the OPLS method for discriminant analysis, Angelica tenuissima and Cnidium officinale were clearly separated into two groups. Angelica tenuissima was characterised by the presence of ligustilide and unidentified molecular ions of m/z 239 and 283, while senkyunolide A together with signals with m/z 387 and 389 were the marker compounds for Cnidium officinale. \nConclusion\nElaborating with chemoinformatics, DART-TOF-MS fingerprinting with chemoinformatic tools results in a powerful method for the classification of morphologically similar Umbelliferae medicinal herbs and quality control of medicinal herbal products, including the extracts of these crude drugs. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {5},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Lee, Sang Min and Kim, Hye-Jin and Jang, Young Pyo},\n\tyear = {2012},\n\tkeywords = {DART-TOF-MS, DART-TOF-MS; multivariate analysis; OPLS-DA; metabolomics; Umbelliferae; AccuTOF, OPLS-DA, Umbelliferae, metabolomics, multivariate analysis},\n\tpages = {508--512},\n}\n\n\n\n
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\n Introduction It needs many years of special training to gain expertise on the organoleptic classification of botanical raw materials and, even for those experts, discrimination among Umbelliferae medicinal herbs remains an intricate challenge due to their morphological similarity. Objective To develop a new chemometric classification method using a direct analysis in real time–time of flight–mass spectrometry (DART-TOF-MS) fingerprinting for Umbelliferae medicinal herbs and to provide a platform for its application to the discrimination of other herbal medicines. Methodology Angelica tenuissima, Angelica gigas, Angelica dahurica and Cnidium officinale were chosen for this study and ten samples of each species were purchased from various Korean markets. DART-TOF-MS was employed on powdered raw materials to obtain a chemical fingerprint of each sample and the orthogonal partial-least squares method in discriminant analysis (OPLS-DA) was used for multivariate analysis. Results All samples of collected species were successfully discriminated from each other according to their characteristic DART-TOF-MS fingerprint. Decursin (or decursinol angelate) and byakangelicol were identified as marker molecules for Angelica gigas and A. dahurica, respectively. Using the OPLS method for discriminant analysis, Angelica tenuissima and Cnidium officinale were clearly separated into two groups. Angelica tenuissima was characterised by the presence of ligustilide and unidentified molecular ions of m/z 239 and 283, while senkyunolide A together with signals with m/z 387 and 389 were the marker compounds for Cnidium officinale. Conclusion Elaborating with chemoinformatics, DART-TOF-MS fingerprinting with chemoinformatic tools results in a powerful method for the classification of morphologically similar Umbelliferae medicinal herbs and quality control of medicinal herbal products, including the extracts of these crude drugs. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Rapid control of Chinese star anise fruits and teas for neurotoxic anisatin by Direct Analysis in Real Time (DART) high resolution mass spectrometry.\n \n \n \n \n\n\n \n Shen, Y.; van Beek, T. A.; Claassen, F. W.; Zuilhof, H.; Chen, B.; and Nielen, M. W.\n\n\n \n\n\n\n Journal of Chromatography A, 1259: 179–186. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{shen_rapid_2012,\n\ttitle = {Rapid control of {Chinese} star anise fruits and teas for neurotoxic anisatin by {Direct} {Analysis} in {Real} {Time} ({DART}) high resolution mass spectrometry},\n\tvolume = {1259},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967312004712},\n\tdoi = {10.1016/j.chroma.2012.03.058},\n\tabstract = {After ingestion, products containing Chinese star anise (Illicium verum) contaminated or adulterated with Japanese star anise (Illicium anisatum) or other Illicium species, can cause epilepsy, hallucinations, and nausea due to the rare neurotoxic sesquiterpene dilactone anisatin that is present in Japanese star anise. Thus a rapid, simple and unambiguous method for distinguishing between the morphologically similar Chinese star anise and toxic Japanese star anise is important for food safety issues. Direct Analysis in Real Time (DART) ambient ionisation coupled with orbitrap high resolution mass spectrometry allowed the recording of mass spectra of anisatin in solid star anise fruits in seconds without any prior sample pretreatment. Spectra could be obtained in both positive ([M+NH4]+ at m/z 346.1496, C15H24NO8) and negative mode ([M−H]− at m/z 327.1074, C15H19O8) and gave the same outcome provided a mass resolution of at least 27,000 is available. The anisatin signal was typically \\&gt;1000 times larger in Japanese star anise than in Chinese star anise thus allowing an unequivocal qualitative determination. Herbal teas containing star anise fragments too small to be visually recognised, could be analysed by preparing a tea in 6\\&\\#xa0;min and subsequently sampling ∼2\\&\\#xa0;μL of tea on a glass rod. None of the 8 investigated retail teas contained significant quantities of anisatin. Spiking a complex herbal tea containing Chinese star anise with an equally concentrated tea prepared from Japanese star anise provided a linear calibration curve (R2\\&\\#xa0;≥\\&\\#xa0;0.995) after normalising on a native constituent of Chinese star anise (standard addition method). This showed that adulteration down to 1\\% (w/w) is still measurable. Compared with existing PCR, TLC, GC–MS and HPLC–ESI-MS/MS procedures, the proposed DART–HRMS procedure is faster and simpler and moreover measures the actual biotoxin.},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Shen, Yao and van Beek, Teris A. and Claassen, Frank W. and Zuilhof, Han and Chen, Bo and Nielen, Michel W.F.},\n\tyear = {2012},\n\tkeywords = {Anisatin, Biotoxin, DART, Food analysis, Star anise, mass spectrometry},\n\tpages = {179--186},\n}\n\n\n\n
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\n After ingestion, products containing Chinese star anise (Illicium verum) contaminated or adulterated with Japanese star anise (Illicium anisatum) or other Illicium species, can cause epilepsy, hallucinations, and nausea due to the rare neurotoxic sesquiterpene dilactone anisatin that is present in Japanese star anise. Thus a rapid, simple and unambiguous method for distinguishing between the morphologically similar Chinese star anise and toxic Japanese star anise is important for food safety issues. Direct Analysis in Real Time (DART) ambient ionisation coupled with orbitrap high resolution mass spectrometry allowed the recording of mass spectra of anisatin in solid star anise fruits in seconds without any prior sample pretreatment. Spectra could be obtained in both positive ([M+NH4]+ at m/z 346.1496, C15H24NO8) and negative mode ([M−H]− at m/z 327.1074, C15H19O8) and gave the same outcome provided a mass resolution of at least 27,000 is available. The anisatin signal was typically >1000 times larger in Japanese star anise than in Chinese star anise thus allowing an unequivocal qualitative determination. Herbal teas containing star anise fragments too small to be visually recognised, could be analysed by preparing a tea in 6 min and subsequently sampling ∼2 μL of tea on a glass rod. None of the 8 investigated retail teas contained significant quantities of anisatin. Spiking a complex herbal tea containing Chinese star anise with an equally concentrated tea prepared from Japanese star anise provided a linear calibration curve (R2 ≥ 0.995) after normalising on a native constituent of Chinese star anise (standard addition method). This showed that adulteration down to 1% (w/w) is still measurable. Compared with existing PCR, TLC, GC–MS and HPLC–ESI-MS/MS procedures, the proposed DART–HRMS procedure is faster and simpler and moreover measures the actual biotoxin.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time by Mass Spectrometric Technique for Determining the Variation in Metabolite Profiles of Cinnamomum tamala Nees and Eberm Genotypes.\n \n \n \n \n\n\n \n Singh, V.; Gupta, A. K.; Singh, S. P.; and Kumar, A.\n\n\n \n\n\n\n The Scientific World Journal, 2012. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{singh_direct_2012,\n\ttitle = {Direct {Analysis} in {Real} {Time} by {Mass} {Spectrometric} {Technique} for {Determining} the {Variation} in {Metabolite} {Profiles} of {Cinnamomum} tamala {Nees} and {Eberm} {Genotypes}},\n\tvolume = {2012},\n\turl = {http://dx.doi.org/10.1100/2012/549265},\n\tabstract = {Cinnamomum tamala Nees \\& Eberm. is an important traditional  medicinal plant, mentioned in various ancient  literatures such as Ayurveda. Several of its medicinal properties have recently been proved. To characterize diversity in terms of metabolite profiles of Cinnamomum tamala Nees and Eberm genotypes, a newly emerging mass spectral ionization technique direct time in real time (DART) is very helpful. The DART ion source has been used to analyze an extremely wide range of phytochemicals present in leaves of Cinnamomum tamala. Ten genotypes were assessed for the presence of different phytochemicals. Phytochemical analysis showed the presence of mainly terpenes and phenols. These constituents vary in the different genotypes of Cinnamomum tamala. Principal component analysis has also been employed to analyze the DART data of these Cinnamomum genotypes. The result shows that the genotype of Cinnamomum tamala could be differentiated using DART MS data. The active components present in Cinnamomum tamala may be contributing significantly to high amount of antioxidant property of leaves and, in turn, conditional effects for diabetic patients.},\n\tjournal = {The Scientific World Journal},\n\tauthor = {Singh, Vineeta and Gupta, Atul Kumar and Singh, S. P. and Kumar, Anil},\n\tyear = {2012},\n}\n\n\n\n
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\n Cinnamomum tamala Nees & Eberm. is an important traditional medicinal plant, mentioned in various ancient literatures such as Ayurveda. Several of its medicinal properties have recently been proved. To characterize diversity in terms of metabolite profiles of Cinnamomum tamala Nees and Eberm genotypes, a newly emerging mass spectral ionization technique direct time in real time (DART) is very helpful. The DART ion source has been used to analyze an extremely wide range of phytochemicals present in leaves of Cinnamomum tamala. Ten genotypes were assessed for the presence of different phytochemicals. Phytochemical analysis showed the presence of mainly terpenes and phenols. These constituents vary in the different genotypes of Cinnamomum tamala. Principal component analysis has also been employed to analyze the DART data of these Cinnamomum genotypes. The result shows that the genotype of Cinnamomum tamala could be differentiated using DART MS data. The active components present in Cinnamomum tamala may be contributing significantly to high amount of antioxidant property of leaves and, in turn, conditional effects for diabetic patients.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry and multivariate data analysis: A novel approach to rapid identification of analytical markers for quality control of traditional Chinese medicine preparation.\n \n \n \n \n\n\n \n Zeng, S.; Wang, L.; Chen, T.; Wang, Y.; Mo, H.; and Qu, H.\n\n\n \n\n\n\n Analytica Chimica Acta, 733: 38–47. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zeng_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry and multivariate data analysis: {A} novel approach to rapid identification of analytical markers for quality control of traditional {Chinese} medicine preparation},\n\tvolume = {733},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S000326701200596X},\n\tdoi = {10.1016/j.aca.2012.04.025},\n\tabstract = {The paper presents a novel strategy to identify analytical markers of traditional Chinese medicine preparation (TCMP) rapidly via direct analysis in real time mass spectrometry (DART-MS). A commonly used TCMP, Danshen injection, was employed as a model. The optimal analysis conditions were achieved by measuring the contribution of various experimental parameters to the mass spectra. Salvianolic acids and saccharides were simultaneously determined within a single 1-min DART-MS run. Furthermore, spectra of Danshen injections supplied by five manufacturers were processed with principal component analysis (PCA). Obvious clustering was observed in the PCA score plot, and candidate markers were recognized from the contribution plots of PCA. The suitability of potential markers was then confirmed by contrasting with the results of traditional analysis methods. Using this strategy, fructose, glucose, sucrose, protocatechuic aldehyde and salvianolic acid A were rapidly identified as the markers of Danshen injections. The combination of DART-MS with PCA provides a reliable approach to the identification of analytical markers for quality control of TCMP.},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zeng, Shanshan and Wang, Lu and Chen, Teng and Wang, Yuefei and Mo, Huanbiao and Qu, Haibin},\n\tyear = {2012},\n\tkeywords = {Analytical marker, Direct analysis in real time, Principal component analysis, Traditional Chinese medicine preparation, mass spectrometry},\n\tpages = {38--47},\n}\n\n\n\n
\n
\n\n\n
\n The paper presents a novel strategy to identify analytical markers of traditional Chinese medicine preparation (TCMP) rapidly via direct analysis in real time mass spectrometry (DART-MS). A commonly used TCMP, Danshen injection, was employed as a model. The optimal analysis conditions were achieved by measuring the contribution of various experimental parameters to the mass spectra. Salvianolic acids and saccharides were simultaneously determined within a single 1-min DART-MS run. Furthermore, spectra of Danshen injections supplied by five manufacturers were processed with principal component analysis (PCA). Obvious clustering was observed in the PCA score plot, and candidate markers were recognized from the contribution plots of PCA. The suitability of potential markers was then confirmed by contrasting with the results of traditional analysis methods. Using this strategy, fructose, glucose, sucrose, protocatechuic aldehyde and salvianolic acid A were rapidly identified as the markers of Danshen injections. The combination of DART-MS with PCA provides a reliable approach to the identification of analytical markers for quality control of TCMP.\n
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\n \n\n \n \n \n \n \n \n Detection of nitro-organic and peroxide explosives in latent fingermarks by DART- and SALDI-TOF-mass spectrometry.\n \n \n \n \n\n\n \n Rowell, F.; Seviour, J.; Lim, A. Y.; Elumbaring-Salazar, C. G.; Loke, J.; and Ma, J.\n\n\n \n\n\n\n Forensic Science International, 221: 84–91. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rowell_detection_2012,\n\ttitle = {Detection of nitro-organic and peroxide explosives in latent fingermarks by {DART}- and {SALDI}-{TOF}-mass spectrometry},\n\tvolume = {221},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073812001703},\n\tdoi = {10.1016/j.forsciint.2012.04.007},\n\tabstract = {The ability of two mass spectrometric methods, surface-assisted laser desorption/ionization-time of flight-mass spectrometry (SALDI-TOF-MS) and direct analysis in real time (DART-MS), to detect the presence of seven common explosives (six nitro-organic- and one peroxide-type) in spiked latent fingermarks has been examined. It was found that each explosive could be detected with nanogram sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-TOF-MS for marks pre-dusted with one type of commercial black magnetic powder. These explosives also could be detected in latent marks lifted from six common surfaces (paper, plastic bag, metal drinks can, wood laminate, adhesive tape and white ceramic tile) whereas no explosive could be detected in equivalent pre-dusted marks on the surface of a commercial lifting tape by the DART-MS method due to high background interference from the tape material. The presence of TNT and Tetryl could be detected in pre-dusted latent fingermarks on a commercial lifting tape for up to 29 days sealed and stored under ambient conditions.},\n\tjournal = {Forensic Science International},\n\tauthor = {Rowell, Frederick and Seviour, John and Lim, Angelina Yimei and Elumbaring-Salazar, Cheryl Grace and Loke, Jason and Ma, Jan},\n\tyear = {2012},\n\tkeywords = {Contact residues, DART-mass spectrometry, Dusting powder, Lifted latent fingermarks, Nitro-organic and peroxide explosives, SALDI-TOF-mass spectrometry, Stability},\n\tpages = {84--91},\n}\n\n\n\n
\n
\n\n\n
\n The ability of two mass spectrometric methods, surface-assisted laser desorption/ionization-time of flight-mass spectrometry (SALDI-TOF-MS) and direct analysis in real time (DART-MS), to detect the presence of seven common explosives (six nitro-organic- and one peroxide-type) in spiked latent fingermarks has been examined. It was found that each explosive could be detected with nanogram sensitivity for marks resulting from direct finger contact with a glass probe by DART-MS or onto stainless steel target plates using SALDI-TOF-MS for marks pre-dusted with one type of commercial black magnetic powder. These explosives also could be detected in latent marks lifted from six common surfaces (paper, plastic bag, metal drinks can, wood laminate, adhesive tape and white ceramic tile) whereas no explosive could be detected in equivalent pre-dusted marks on the surface of a commercial lifting tape by the DART-MS method due to high background interference from the tape material. The presence of TNT and Tetryl could be detected in pre-dusted latent fingermarks on a commercial lifting tape for up to 29 days sealed and stored under ambient conditions.\n
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\n \n\n \n \n \n \n \n \n Fingerprinting food: current technologies for the detection of food adulteration and contamination.\n \n \n \n \n\n\n \n Ellis, D. I.; Brewster, V. L.; Dunn, W. B.; Allwood, J. W.; Golovanov, A. P.; and Goodacre, R.\n\n\n \n\n\n\n Chem. Soc. Rev., 41: 5706–5727. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"FingerprintingPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{ellis_fingerprinting_2012,\n\ttitle = {Fingerprinting food: current technologies for the detection of food adulteration and contamination},\n\tvolume = {41},\n\tissn = {0306-0012},\n\turl = {http://dx.doi.org/10.1039/C2CS35138B},\n\tabstract = {Major food adulteration and contamination events seem to occur with some regularity, such as the widely publicised adulteration of milk products with melamine and the recent microbial contamination of vegetables across Europe for example. With globalisation and rapid distribution systems, these can have international impacts with far-reaching and sometimes lethal consequences. These events, though potentially global in the modern era, are in fact far from contemporary, and deliberate adulteration of food products is probably as old as the food processing and production systems themselves. This review first introduces some background into these practices, both historically and contemporary, before introducing a range of the technologies currently available for the detection of food adulteration and contamination. These methods include the vibrational spectroscopies: near-infrared, mid-infrared, Raman; NMR spectroscopy, as well as a range of mass spectrometry (MS) techniques, amongst others. This subject area is particularly relevant at this time, as it not only concerns the continuous engagement with food adulterers, but also more recent issues such as food security, bioterrorism and climate change. It is hoped that this introductory overview acts as a springboard for researchers in science, technology, engineering, and industry, in this era of systems-level thinking and interdisciplinary approaches to new and contemporary problems.},\n\tjournal = {Chem. Soc. Rev.},\n\tauthor = {Ellis, David I. and Brewster, Victoria L. and Dunn, Warwick B. and Allwood, J. William and Golovanov, Alexander P. and Goodacre, Royston},\n\tyear = {2012},\n\tpages = {5706--5727},\n}\n\n\n\n
\n
\n\n\n
\n Major food adulteration and contamination events seem to occur with some regularity, such as the widely publicised adulteration of milk products with melamine and the recent microbial contamination of vegetables across Europe for example. With globalisation and rapid distribution systems, these can have international impacts with far-reaching and sometimes lethal consequences. These events, though potentially global in the modern era, are in fact far from contemporary, and deliberate adulteration of food products is probably as old as the food processing and production systems themselves. This review first introduces some background into these practices, both historically and contemporary, before introducing a range of the technologies currently available for the detection of food adulteration and contamination. These methods include the vibrational spectroscopies: near-infrared, mid-infrared, Raman; NMR spectroscopy, as well as a range of mass spectrometry (MS) techniques, amongst others. This subject area is particularly relevant at this time, as it not only concerns the continuous engagement with food adulterers, but also more recent issues such as food security, bioterrorism and climate change. It is hoped that this introductory overview acts as a springboard for researchers in science, technology, engineering, and industry, in this era of systems-level thinking and interdisciplinary approaches to new and contemporary problems.\n
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\n \n\n \n \n \n \n \n \n Validation of a Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for the quantitation of six carbon sugars in a saccharification matrix.\n \n \n \n \n\n\n \n Saang'onyo, D.; Selby, G.; and Smith, D. L.\n\n\n \n\n\n\n Anal. Methods, 4: 3460–3465. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{saangonyo_validation_2012,\n\ttitle = {Validation of a {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) method for the quantitation of six carbon sugars in a saccharification matrix},\n\tvolume = {4},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C2AY25337B},\n\tabstract = {A Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for quantitation of six carbon sugars in saccharification matrix (solution used for the enzyme hydrolysis of switchgrass) was developed and validated. The DART ion source was used to produce ammonium adducts of the spiked glucose molecular ion and the d2-glucose (internal standard) that were detected by scanning with a linear ion trap. Calibration curves were obtained over a linear range of 10 to 3000 [small mu ]M with correlation coefficients better than 0.997 and method recoveries were 94.9\\% to 103.0\\%. Matrix effects were observed and managed with matrix-matching standards for generating calibration curves. Limits of detection and quantitation were 5.84 [times] 10-6 M and 1.95 [times] 10-5 M, respectively. These results indicate this method could be implemented for quantitation of glucose generated from saccharification samples.},\n\tjournal = {Anal. Methods},\n\tauthor = {Saang'onyo, Daudi and Selby, Gary and Smith, Darrin L.},\n\tyear = {2012},\n\tpages = {3460--3465},\n}\n\n\n\n
\n
\n\n\n
\n A Direct Analysis in Real Time Mass Spectrometry (DART-MS) method for quantitation of six carbon sugars in saccharification matrix (solution used for the enzyme hydrolysis of switchgrass) was developed and validated. The DART ion source was used to produce ammonium adducts of the spiked glucose molecular ion and the d2-glucose (internal standard) that were detected by scanning with a linear ion trap. Calibration curves were obtained over a linear range of 10 to 3000 [small mu ]M with correlation coefficients better than 0.997 and method recoveries were 94.9% to 103.0%. Matrix effects were observed and managed with matrix-matching standards for generating calibration curves. Limits of detection and quantitation were 5.84 [times] 10-6 M and 1.95 [times] 10-5 M, respectively. These results indicate this method could be implemented for quantitation of glucose generated from saccharification samples.\n
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\n \n\n \n \n \n \n \n \n Reusable Solid Phase Microextraction Coating for Direct Immersion Whole Blood Analysis and Extracted Blood Spot Sampling Coupled with LC-MS/MS and DART-MS/MS.\n \n \n \n \n\n\n \n Mirnaghi, F.; and Pawliszyn, J.\n\n\n \n\n\n\n Anal. Chem., 84(19): 8301–8309. August 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ReusablePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{mirnaghi_reusable_2012,\n\ttitle = {Reusable {Solid} {Phase} {Microextraction} {Coating} for {Direct} {Immersion} {Whole} {Blood} {Analysis} and {Extracted} {Blood} {Spot} {Sampling} {Coupled} with {LC}-{MS}/{MS} and {DART}-{MS}/{MS}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3018229},\n\tdoi = {10.1021/ac3018229},\n\tabstract = {Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12\\% using external calibration and 4\\% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.\nThree different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12\\% using external calibration and 4\\% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.},\n\tnumber = {19},\n\tjournal = {Anal. Chem.},\n\tauthor = {Mirnaghi, Fatemeh and Pawliszyn, Janusz},\n\tmonth = aug,\n\tyear = {2012},\n\tpages = {8301--8309},\n}\n\n\n\n
\n
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\n Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12% using external calibration and 4% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam. Three different biocompatible polymers were tested and evaluated in order to improve the whole blood biocompatibility of previously developed C18-polyacrylonitrile (C18-PAN) thin-film SPME coating. Among all methods of modification, UV-dried thin PAN-over C18-PAN provided the best results. This coating presented reusable properties and reproducible extraction efficiency for at least 30 direct extractions of diazepam from whole blood (relative standard deviation [RSD] = 12% using external calibration and 4% using isotope dilution). The limit of quantitation for the proposed SPME-LC-MS/MS method for direct whole blood analysis was 0.5 ng/mL. The optimized modification of the coating was then used for extracted blood spot (EBS) sampling approach, a new sampling method which is introduced to address the limitations of dried blood spot sampling. EBS was evaluated using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and direct analysis in real time-MS/MS, where for a 5µL blood spot, an LOQ of 0.2 µg/mL and 1 µg/mL were respectively achieved for extraction of diazepam.\n
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\n \n\n \n \n \n \n \n \n Normal phase LC coupled with DART-MS for the chiral analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol and jasmonic acid.\n \n \n \n \n\n\n \n Chang, C.; Zhou, Z.; Yang, Y.; Han, Y.; Bai, Y.; Zhao, M.; and Liu, H.\n\n\n \n\n\n\n ELECTROPHORESIS, 33(22): 3387–3393. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"NormalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{chang_normal_2012,\n\ttitle = {Normal phase {LC} coupled with {DART}-{MS} for the chiral analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol and jasmonic acid},\n\tvolume = {33},\n\tissn = {1522-2683},\n\turl = {http://dx.doi.org/10.1002/elps.201200122},\n\tdoi = {10.1002/elps.201200122},\n\tabstract = {Normal phase chiral liquid chromatography has been proved to be powerful and efficient for chiral separation. However, the combination of normal phase liquid chromatography (NPLC) with electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) is restricted by the poor ionization efficiency and thermal fragmentations of analytes to some extent. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization technique that shows high ionization efficiency of the analytes in the normal phase mobile phase. In this work, we coupled chiral NPLC to DART-MS for the chiral qualitative and quantitative analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) and jasmonic acid (JA) enantiomers. Satisfactory results for the enantiomers of NNAL operating in the positive mode were obtained in terms of linearity (2.5–250 μg/mL, R2, 0.999–1.000) and repeatability (25 μg/mL, RSDs, 4.7–5.6\\%). Moreover, chiral NPLC-DART-MS resulted in the simultaneous chiral separation and detection of JA enantiomers, which are very difficult to be analyzed by NPLC-ESI-MS and NPLC-APCI-MS. Compared with the coupled techniques of NPLC-ESI-MS and NPLC-APCI-MS, NPLC-DART-MS showed advantages in increasing the ionization efficiency and reducing the in-source thermal fragmentation of analytes.},\n\tnumber = {22},\n\tjournal = {ELECTROPHORESIS},\n\tauthor = {Chang, Cuilan and Zhou, Zhigui and Yang, Youyou and Han, Yehua and Bai, Yu and Zhao, Meiping and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol, Chiral separation, DART-MS, Jasmonic acid, NPLC},\n\tpages = {3387--3393},\n}\n\n\n\n
\n
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\n Normal phase chiral liquid chromatography has been proved to be powerful and efficient for chiral separation. However, the combination of normal phase liquid chromatography (NPLC) with electrospray ionization (ESI) or atmospheric pressure chemical ionization (APCI) mass spectrometry (MS) is restricted by the poor ionization efficiency and thermal fragmentations of analytes to some extent. Direct analysis in real time mass spectrometry (DART-MS) is an ambient ionization technique that shows high ionization efficiency of the analytes in the normal phase mobile phase. In this work, we coupled chiral NPLC to DART-MS for the chiral qualitative and quantitative analysis of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanol (NNAL) and jasmonic acid (JA) enantiomers. Satisfactory results for the enantiomers of NNAL operating in the positive mode were obtained in terms of linearity (2.5–250 μg/mL, R2, 0.999–1.000) and repeatability (25 μg/mL, RSDs, 4.7–5.6%). Moreover, chiral NPLC-DART-MS resulted in the simultaneous chiral separation and detection of JA enantiomers, which are very difficult to be analyzed by NPLC-ESI-MS and NPLC-APCI-MS. Compared with the coupled techniques of NPLC-ESI-MS and NPLC-APCI-MS, NPLC-DART-MS showed advantages in increasing the ionization efficiency and reducing the in-source thermal fragmentation of analytes.\n
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\n \n\n \n \n \n \n \n \n Rapid quality assessment of Radix Aconiti Preparata using direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Zhu, H.; Wang, C.; Qi, Y.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytica Chimica Acta, 752: 69–77. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zhu_rapid_2012,\n\ttitle = {Rapid quality assessment of {Radix} {Aconiti} {Preparata} using direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {752},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267012013451?v=s5},\n\tdoi = {10.1016/j.aca.2012.09.018},\n\tabstract = {This study presents a novel and rapid method to identify chemical markers for the quality control of Radix Aconiti Preparata, a world widely used traditional herbal medicine. In the method, the samples with a fast extraction procedure were analyzed using direct analysis in real time mass spectrometry (DART MS) combined with multivariate data analysis. At present, the quality assessment approach of Radix Aconiti Preparata was based on the two processing methods recorded in Chinese Pharmacopoeia for the purpose of reducing the toxicity of Radix Aconiti and ensuring its clinical therapeutic efficacy. In order to ensure the safety and effectivity in clinical use, the processing degree of Radix Aconiti should be well controlled and assessed. In the paper, hierarchical cluster analysis and principal component analysis were performed to evaluate the DART MS data of Radix Aconiti Preparata samples in different processing times. The results showed that the well processed Radix Aconiti Preparata, unqualified processed and the raw Radix Aconiti could be clustered reasonably corresponding to their constituents. The loading plot shows that the main chemical markers having the most influence on the discrimination amongst the qualified and unqualified samples were mainly some monoester diterpenoid aconitines and diester diterpenoid aconitines, i.e. benzoylmesaconine, hypaconitine, mesaconitine, neoline, benzoylhypaconine, benzoylaconine, fuziline, aconitine and 10-OH-mesaconitine. The established DART MS approach in combination with multivariate data analysis provides a very flexible and reliable method for quality assessment of toxic herbal medicine.},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zhu, Hongbin and Wang, Chunyan and Qi, Yao and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tyear = {2012},\n\tkeywords = {Direct analysis in real time, Hierarchical clustering analysis, Principal component analysis, Radix Aconiti, Radix Aconiti Preparata},\n\tpages = {69--77},\n}\n\n\n\n
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\n\n\n
\n This study presents a novel and rapid method to identify chemical markers for the quality control of Radix Aconiti Preparata, a world widely used traditional herbal medicine. In the method, the samples with a fast extraction procedure were analyzed using direct analysis in real time mass spectrometry (DART MS) combined with multivariate data analysis. At present, the quality assessment approach of Radix Aconiti Preparata was based on the two processing methods recorded in Chinese Pharmacopoeia for the purpose of reducing the toxicity of Radix Aconiti and ensuring its clinical therapeutic efficacy. In order to ensure the safety and effectivity in clinical use, the processing degree of Radix Aconiti should be well controlled and assessed. In the paper, hierarchical cluster analysis and principal component analysis were performed to evaluate the DART MS data of Radix Aconiti Preparata samples in different processing times. The results showed that the well processed Radix Aconiti Preparata, unqualified processed and the raw Radix Aconiti could be clustered reasonably corresponding to their constituents. The loading plot shows that the main chemical markers having the most influence on the discrimination amongst the qualified and unqualified samples were mainly some monoester diterpenoid aconitines and diester diterpenoid aconitines, i.e. benzoylmesaconine, hypaconitine, mesaconitine, neoline, benzoylhypaconine, benzoylaconine, fuziline, aconitine and 10-OH-mesaconitine. The established DART MS approach in combination with multivariate data analysis provides a very flexible and reliable method for quality assessment of toxic herbal medicine.\n
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\n \n\n \n \n \n \n \n \n Direct Monitoring of the Role Played by a Stabilizer in a Solid Sample of Polymer Using Direct Analysis in Real Time Mass Spectrometry: The Case of Irgafos 168 in Polyethylene.\n \n \n \n \n\n\n \n Fouyer, K.; Lavastre, O.; and Rondeau, D.\n\n\n \n\n\n\n Analytical Chemistry, 84(20): 8642–8649. September 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fouyer_direct_2012,\n\ttitle = {Direct {Monitoring} of the {Role} {Played} by a {Stabilizer} in a {Solid} {Sample} of {Polymer} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}: {The} {Case} of {Irgafos} 168 in {Polyethylene}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac301759q},\n\tdoi = {10.1021/ac301759q},\n\tabstract = {Direct analysis in real time (DART) ionization method is used with a time-of-flight (TOF) mass spectrometer to perform the analysis of industrial polyethylene pellets free of additives or containing Irgafos 168 as stabilizing agent without any sampling step. The developed analytical method uses the [M + H]+ ion of the bis(2-ethylhexyl) phthalate (DEHP) for performing the exact mass measurements of the stabilizer and polymer ions using the mass drift compensation procedure available on the AccuTOF mass spectrometer. DEHP is in fact a plastic contaminant always presents on the mass spectra of the analyzed samples. The mass spectra allow one to characterize either the ions of the polyethylene and that of the Irgafos. The analysis of thermally treated samples show that the polymer does not undergo any degradation when the Irgafos is present in the bulk of the material, and the role played by the Irgafos 168 is that of an oxygen trapping agent. Under UV exposure, the DART-TOF MS analyses performed on the exposed polyethylene pellets shows that the Irgafos 168 behavior toward the UV radiations is different since this one reacts by cleavages of its P?O bonds to prevent the degradation of the polymer. These interpretations are supported by all the elemental formula determination of the detected ions.},\n\tnumber = {20},\n\turldate = {2012-10-10},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Fouyer, Kevin and Lavastre, Olivier and Rondeau, David},\n\tmonth = sep,\n\tyear = {2012},\n\tpages = {8642--8649},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) ionization method is used with a time-of-flight (TOF) mass spectrometer to perform the analysis of industrial polyethylene pellets free of additives or containing Irgafos 168 as stabilizing agent without any sampling step. The developed analytical method uses the [M + H]+ ion of the bis(2-ethylhexyl) phthalate (DEHP) for performing the exact mass measurements of the stabilizer and polymer ions using the mass drift compensation procedure available on the AccuTOF mass spectrometer. DEHP is in fact a plastic contaminant always presents on the mass spectra of the analyzed samples. The mass spectra allow one to characterize either the ions of the polyethylene and that of the Irgafos. The analysis of thermally treated samples show that the polymer does not undergo any degradation when the Irgafos is present in the bulk of the material, and the role played by the Irgafos 168 is that of an oxygen trapping agent. Under UV exposure, the DART-TOF MS analyses performed on the exposed polyethylene pellets shows that the Irgafos 168 behavior toward the UV radiations is different since this one reacts by cleavages of its P?O bonds to prevent the degradation of the polymer. These interpretations are supported by all the elemental formula determination of the detected ions.\n
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\n \n\n \n \n \n \n \n \n Study of the distribution profile of piperidine alkaloids in various parts of Prosopis juliflora by the application of Direct Analysis in Real Time Mass Spectrometry (DART-MS).\n \n \n \n \n\n\n \n Singh, S.; and Verma, S.\n\n\n \n\n\n\n Natural Products and Bioprospecting, 2(5): 206–209. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"StudyPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{singh_study_2012,\n\ttitle = {Study of the distribution profile of piperidine alkaloids in various parts of {Prosopis} juliflora by the application of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS})},\n\tvolume = {2},\n\turl = {http://dx.doi.org/10.1007/s13659-012-0069-1},\n\tabstract = {Direct Analysis in Real Time Mass Spectrometry (DART-MS) was applied to identify and study the distribution profile of piperidine alkaloids in different parts of Prosopis juliflora, without isolation and separation of the compounds by standard chromatographic techniques. With the help of DART-MS, chemical fingerprint of raw plant parts were generated, which revealed the presence of piperidine alkaloids in leaf, pod and flower. A comparative study of the distribution pattern, showed variation in the presence and distribution of these alkaloids in various parts of P. juliflora. The leaves and pod displayed the largest alkaloid pattern with a total of 12 different alkaloids in each part, whereas only 4 alkaloids were present in flower. Alkaloids: julifloridine, prosopine, prosopinine and prosafrinine were ubiquitously distributed in all the alkaloid rich plant parts. Juliprosopine was pre-eminet alkaloid in leaf, whereas pod and flower displayed copious amounts of julifloridine.},\n\tnumber = {5},\n\tjournal = {Natural Products and Bioprospecting},\n\tauthor = {Singh, Shachi and Verma, SanjayKumar},\n\tyear = {2012},\n\tkeywords = {julifloridine},\n\tpages = {206--209},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time Mass Spectrometry (DART-MS) was applied to identify and study the distribution profile of piperidine alkaloids in different parts of Prosopis juliflora, without isolation and separation of the compounds by standard chromatographic techniques. With the help of DART-MS, chemical fingerprint of raw plant parts were generated, which revealed the presence of piperidine alkaloids in leaf, pod and flower. A comparative study of the distribution pattern, showed variation in the presence and distribution of these alkaloids in various parts of P. juliflora. The leaves and pod displayed the largest alkaloid pattern with a total of 12 different alkaloids in each part, whereas only 4 alkaloids were present in flower. Alkaloids: julifloridine, prosopine, prosopinine and prosafrinine were ubiquitously distributed in all the alkaloid rich plant parts. Juliprosopine was pre-eminet alkaloid in leaf, whereas pod and flower displayed copious amounts of julifloridine.\n
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\n \n\n \n \n \n \n \n \n Ambient analysis by thermal desorption atmospheric pressure photoionization.\n \n \n \n \n\n\n \n Jorabchi, K.; Hanold, K.; and Syage, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 405(22): 7011–7018. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{jorabchi_ambient_2012,\n\ttitle = {Ambient analysis by thermal desorption atmospheric pressure photoionization},\n\tvolume = {405},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-6536-z},\n\tdoi = {10.1007/s00216-012-6536-z},\n\tabstract = {Ambient mass spectrometry has attracted substantial attention in recent years. Among ambient ionization methods, thermal desorption ionization stands out because of two attributes: (1) simplicity, rendering the technique suitable for in-field applications, and (2) ability to couple with a variety of gas-phase ionization methods thereby broadening the range of molecules that can be analyzed with this method. Here, we report on improving the performance of a direct analysis in real time (DART) source by implementing atmospheric pressure photoionization (APPI) downstream of the desorption region. At identical desorption and ion sampling conditions, APPI leads to detection of radical molecular ions from non-polar compounds that are absent from the spectra generated by DART alone. Moreover, a factor of 3–5 improvement in sensitivity is observed using APPI for positive ions commonly detected by DART and DART-APPI. Using helium and nitrogen as desorption gases, APPI shows identical performance regardless of desorption gas type. In contrast, a dramatic decrease in sensitivity is observed for DART operated with nitrogen compared to DART with helium. Comparable performance for DART and DART-APPI are observed in negative ion mode, although both show a drastic improvement in the absence of the Vapur interface. This interface creates a differentially pumped chamber prior to inlet of the mass spectrometer and reduces the mass spectrometer gas load when helium is used as desorption gas.},\n\tlanguage = {English},\n\tnumber = {22},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Jorabchi, Kaveh and Hanold, Karl and Syage, Jack},\n\tmonth = nov,\n\tyear = {2012},\n\tkeywords = {Ambient mass spectrometry, Direct analysis in real time, Photoionization},\n\tpages = {7011--7018},\n}\n\n\n\n
\n
\n\n\n
\n Ambient mass spectrometry has attracted substantial attention in recent years. Among ambient ionization methods, thermal desorption ionization stands out because of two attributes: (1) simplicity, rendering the technique suitable for in-field applications, and (2) ability to couple with a variety of gas-phase ionization methods thereby broadening the range of molecules that can be analyzed with this method. Here, we report on improving the performance of a direct analysis in real time (DART) source by implementing atmospheric pressure photoionization (APPI) downstream of the desorption region. At identical desorption and ion sampling conditions, APPI leads to detection of radical molecular ions from non-polar compounds that are absent from the spectra generated by DART alone. Moreover, a factor of 3–5 improvement in sensitivity is observed using APPI for positive ions commonly detected by DART and DART-APPI. Using helium and nitrogen as desorption gases, APPI shows identical performance regardless of desorption gas type. In contrast, a dramatic decrease in sensitivity is observed for DART operated with nitrogen compared to DART with helium. Comparable performance for DART and DART-APPI are observed in negative ion mode, although both show a drastic improvement in the absence of the Vapur interface. This interface creates a differentially pumped chamber prior to inlet of the mass spectrometer and reduces the mass spectrometer gas load when helium is used as desorption gas.\n
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\n \n\n \n \n \n \n \n \n Argon Direct Analysis in Real Time (Ar-DART) Mass Spectrometry in Conjunction with Make-Up Solvents: A Novel Method for Analysis of Labile Compounds.\n \n \n \n \n\n\n \n Yang, H.; Wan, D.; Song, F.; Liu, Z.; and Liu, S.\n\n\n \n\n\n\n Analytical Chemistry, 85(3): 1305–1309. December 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ArgonPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{yang_argon_2012,\n\ttitle = {Argon {Direct} {Analysis} in {Real} {Time} ({Ar}-{DART}) {Mass} {Spectrometry} in {Conjunction} with {Make}-{Up} {Solvents}: {A} {Novel} {Method} for {Analysis} of {Labile} {Compounds}},\n\tvolume = {85},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac3026543},\n\tdoi = {10.1021/ac3026543},\n\tabstract = {Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with make-up solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a make-up solvent (absolute ethyl alcohol, methanol, fluorobenzene or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.},\n\tnumber = {3},\n\turldate = {2013-01-04},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Yang, Hongmei and Wan, Debin and Song, Fengrui and Liu, Zhiqiang and Liu, Shuying},\n\tmonth = dec,\n\tyear = {2012},\n\tpages = {1305--1309},\n}\n\n\n\n
\n
\n\n\n
\n Helium direct analysis in real time (He-DART) mass spectrometry (MS) analysis of labile compounds usually tends to be challenging because of the occurrence of prominent fragmentation, which obscures the assigning of an ion to an independent species or merely a fragment in a mixture. In the present work, argon DART (Ar-DART) MS in conjunction with make-up solvents has been demonstrated to analyze a variety of labile compounds including nucleosides, alkaloids, glucose, and other small molecules. The results presented here confirm that Ar-DART can generate significantly less energetic ions than conventional He-DART and is able to produce the intact molecular ions with little or no fragmentation in both positive and negative ion modes. Adding a make-up solvent (absolute ethyl alcohol, methanol, fluorobenzene or acetone) to the argon gas stream at the exit of the DART ion source can result in 1-2 orders of magnitude increase in detection signals. The sensitivity attainable by Ar-DART was found to be comparable to that by He-DART. The investigation of influence of solvents improves our understanding of the fundamental desorption and ionization processes in DART. The practical application of this rapid and high throughput method is demonstrated by the successful analysis of a natural product (Crude Kusnezoff Monkshood) extract, demonstrating the great potential in mixture research.\n
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\n \n\n \n \n \n \n \n \n Evaluating agarwood products for 2-(2-phenylethyl)chromones using direct analysis in real time time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Lancaster, C.; and Espinoza, E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(23): 2649–2656. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{lancaster_evaluating_2012,\n\ttitle = {Evaluating agarwood products for 2-(2-phenylethyl)chromones using direct analysis in real time time-of-flight mass spectrometry},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6388},\n\tdoi = {10.1002/rcm.6388},\n\tabstract = {RATIONALE \n \nAgarwood is the resinous material harvested from threatened Aquilaria species. We investigated how many protonated 2-(2-phenylethyl)chromone ions were sufficient to make an accurate identification of agarwood. Analysis of 125 reference samples was carried out by direct analysis in real time time-of-flight mass spectrometry (DART-TOFMS). The identification criteria developed were applied to commercial samples. \n \nMETHODS \n \nWe developed a technique that uses DART-TOFMS to detect 2-(2-phenylethyl)chromones. Additionally, we developed a set of criteria to infer the presence of Aquilaria in commercial samples of wood chips, sawdust, incense and liquids. Additionally, we examined other fragrant woods to determine if they contained a chemical profile that could be falsely identified as agarwood. \n \nRESULTS \n \nAnalysis of reference and commercial samples (n = 151) established that DART-TOFMS provides reproducible mass spectra that are useful for inferring the genus of suspected agarwood samples. We identified 17 ions which were useful for authenticating agarwood. Comparison of the number of chromone ions detected by direct analyses of dry wood chips versus eluent analysis of methanol-extracted wood showed that results were similar. Lastly, analysis of 25 scented woods of other species did not give false positive results. \n \nCONCLUSIONS \n \nReliable criteria for inferring agarwood include the presence of diagnostic ions, m/z 319.118 or 349.129, in addition to ten or more ions characteristic of 2-(2-phenylethyl)chromones. Wood anatomists challenged with difficult morphological identifications can use this tool to assist in their analyses. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {23},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Lancaster, Cady and Espinoza, Edgard},\n\tyear = {2012},\n\tpages = {2649--2656},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Agarwood is the resinous material harvested from threatened Aquilaria species. We investigated how many protonated 2-(2-phenylethyl)chromone ions were sufficient to make an accurate identification of agarwood. Analysis of 125 reference samples was carried out by direct analysis in real time time-of-flight mass spectrometry (DART-TOFMS). The identification criteria developed were applied to commercial samples. METHODS We developed a technique that uses DART-TOFMS to detect 2-(2-phenylethyl)chromones. Additionally, we developed a set of criteria to infer the presence of Aquilaria in commercial samples of wood chips, sawdust, incense and liquids. Additionally, we examined other fragrant woods to determine if they contained a chemical profile that could be falsely identified as agarwood. RESULTS Analysis of reference and commercial samples (n = 151) established that DART-TOFMS provides reproducible mass spectra that are useful for inferring the genus of suspected agarwood samples. We identified 17 ions which were useful for authenticating agarwood. Comparison of the number of chromone ions detected by direct analyses of dry wood chips versus eluent analysis of methanol-extracted wood showed that results were similar. Lastly, analysis of 25 scented woods of other species did not give false positive results. CONCLUSIONS Reliable criteria for inferring agarwood include the presence of diagnostic ions, m/z 319.118 or 349.129, in addition to ten or more ions characteristic of 2-(2-phenylethyl)chromones. Wood anatomists challenged with difficult morphological identifications can use this tool to assist in their analyses. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n DART MS based chemical profiling for therapeutic potential of Piper betle landraces.\n \n \n \n \n\n\n \n Bajpai, V; Pandey, R; Negi, M.; Kumar, N; and Kumar, B\n\n\n \n\n\n\n Natural product communications, 7(12): 1627–1629. December 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{bajpai_dart_2012,\n\ttitle = {{DART} {MS} based chemical profiling for therapeutic potential of {Piper} betle landraces.},\n\tvolume = {7},\n\turl = {http://europepmc.org/abstract/MED/23413569},\n\tabstract = {Piper betle Linn. leaves are traditionally used as a folk medicine in India and other Asiatic countries. Twenty-one P. betle landraces were analyzed using a Direct Analysis in Real Time (DART) mass spectral technique and evaluated on the basis of molecules detected in the leaves. Clustering of landraces based on three well known biologically active phenols (m/z 151,165,193) showed two broad groups with high and low phenol contents suggesting differences in their therapeutic potential. Findings of this study could be useful in rapid screening of the landraces for determining their medicinal potential and optimum utilization of the bioresource.},\n\tnumber = {12},\n\tjournal = {Natural product communications},\n\tauthor = {Bajpai, V and Pandey, R and Negi, MP and Kumar, N and Kumar, B},\n\tmonth = dec,\n\tyear = {2012},\n\tkeywords = {Calibration, Computer Systems, Drug Evaluation, Preclinical, Oils, Volatile, Phenols, Piper betle, Plant Leaves, Software, mass spectrometry},\n\tpages = {1627--1629},\n}\n\n\n\n
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\n Piper betle Linn. leaves are traditionally used as a folk medicine in India and other Asiatic countries. Twenty-one P. betle landraces were analyzed using a Direct Analysis in Real Time (DART) mass spectral technique and evaluated on the basis of molecules detected in the leaves. Clustering of landraces based on three well known biologically active phenols (m/z 151,165,193) showed two broad groups with high and low phenol contents suggesting differences in their therapeutic potential. Findings of this study could be useful in rapid screening of the landraces for determining their medicinal potential and optimum utilization of the bioresource.\n
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\n \n\n \n \n \n \n \n \n Application of Direct Analysis in Real Time Mass Spectrometry (DART-MS) for Identification of an Epiphytic Cyanobacterium, Nostoc Sp.\n \n \n \n \n\n\n \n Singh, S.; and Verma, S. K.\n\n\n \n\n\n\n Analytical Letters, 45(17): 2562–2568. May 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{singh_application_2012,\n\ttitle = {Application of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) for {Identification} of an {Epiphytic} {Cyanobacterium}, {Nostoc} {Sp}.},\n\tvolume = {45},\n\tissn = {0003-2719},\n\turl = {http://dx.doi.org/10.1080/00032719.2012.694940},\n\tdoi = {10.1080/00032719.2012.694940},\n\tabstract = {Cyanobacteria, a diverse group of bacteria are identified entirely on the basis of morphological characters, which can frequently lead to incorrect results; therefore, the present study reports a new approach for identification of an organism based on DART technique. Direct Analysis in Real Time Mass Spectrometry (DART-MS) was used to identify a cyanobacterium, isolated from the leaf surface, on the basis of characteristic chemical compounds present in the strain. A chemical fingerprint was generated and peaks obtained were found to be similar to the masses of the compounds reported for Nostoc sp.},\n\tnumber = {17},\n\turldate = {2012-11-28},\n\tjournal = {Analytical Letters},\n\tauthor = {Singh, Shachi and Verma, S. K.},\n\tmonth = may,\n\tyear = {2012},\n\tpages = {2562--2568},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Cyanobacteria, a diverse group of bacteria are identified entirely on the basis of morphological characters, which can frequently lead to incorrect results; therefore, the present study reports a new approach for identification of an organism based on DART technique. Direct Analysis in Real Time Mass Spectrometry (DART-MS) was used to identify a cyanobacterium, isolated from the leaf surface, on the basis of characteristic chemical compounds present in the strain. A chemical fingerprint was generated and peaks obtained were found to be similar to the masses of the compounds reported for Nostoc sp.\n
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\n \n\n \n \n \n \n \n \n Biomarkers of Whale Shark Health: A Metabolomic Approach.\n \n \n \n \n\n\n \n Dove, A. D. M.; Leisen, J.; Zhou, M.; Byrne, J. J.; Lim-Hing, K.; Webb, H. D.; Gelbaum, L.; Viant, M. R.; Kubanek, J.; and Fernández, F. M.\n\n\n \n\n\n\n PLoS ONE, 7(11): e49379. November 2012.\n \n\n\n\n
\n\n\n\n \n \n \"BiomarkersPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{dove_biomarkers_2012,\n\ttitle = {Biomarkers of {Whale} {Shark} {Health}: {A} {Metabolomic} {Approach}},\n\tvolume = {7},\n\turl = {http://dx.doi.org/10.1371%2Fjournal.pone.0049379},\n\tdoi = {10.1371/journal.pone.0049379},\n\tabstract = {In a search for biomarkers of health in whale sharks and as exploration of metabolomics as a modern tool for understanding animal physiology, the metabolite composition of serum in six whale sharks (Rhincodon typus) from an aquarium collection was explored using 1H nuclear magnetic resonance (NMR) spectroscopy and direct analysis in real time (DART) mass spectrometry (MS). Principal components analysis (PCA) of spectral data showed that individual animals could be resolved based on the metabolite composition of their serum and that two unhealthy individuals could be discriminated from the remaining healthy animals. The major difference between healthy and unhealthy individuals was the concentration of homarine, here reported for the first time in an elasmobranch, which was present at substantially lower concentrations in unhealthy whale sharks, suggesting that this metabolite may be a useful biomarker of health status in this species. The function(s) of homarine in sharks remain uncertain but it likely plays a significant role as an osmolyte. The presence of trimethylamine oxide (TMAO), another well-known protective osmolyte of elasmobranchs, at 0.1–0.3 mol L−1 was also confirmed using both NMR and MS. Twenty-three additional potential biomarkers were identified based on significant differences in the frequency of their occurrence between samples from healthy and unhealthy animals, as detected by DART MS. Overall, NMR and MS provided complementary data that showed that metabolomics is a useful approach for biomarker prospecting in poorly studied species like elasmobranchs.},\n\tnumber = {11},\n\tjournal = {PLoS ONE},\n\tauthor = {Dove, Alistair D. M. and Leisen, Johannes and Zhou, Manshui and Byrne, Jonathan J. and Lim-Hing, Krista and Webb, Harry D. and Gelbaum, Leslie and Viant, Mark R. and Kubanek, Julia and Fernández, Facundo M.},\n\tmonth = nov,\n\tyear = {2012},\n\tpages = {e49379},\n}\n\n\n\n
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\n In a search for biomarkers of health in whale sharks and as exploration of metabolomics as a modern tool for understanding animal physiology, the metabolite composition of serum in six whale sharks (Rhincodon typus) from an aquarium collection was explored using 1H nuclear magnetic resonance (NMR) spectroscopy and direct analysis in real time (DART) mass spectrometry (MS). Principal components analysis (PCA) of spectral data showed that individual animals could be resolved based on the metabolite composition of their serum and that two unhealthy individuals could be discriminated from the remaining healthy animals. The major difference between healthy and unhealthy individuals was the concentration of homarine, here reported for the first time in an elasmobranch, which was present at substantially lower concentrations in unhealthy whale sharks, suggesting that this metabolite may be a useful biomarker of health status in this species. The function(s) of homarine in sharks remain uncertain but it likely plays a significant role as an osmolyte. The presence of trimethylamine oxide (TMAO), another well-known protective osmolyte of elasmobranchs, at 0.1–0.3 mol L−1 was also confirmed using both NMR and MS. Twenty-three additional potential biomarkers were identified based on significant differences in the frequency of their occurrence between samples from healthy and unhealthy animals, as detected by DART MS. Overall, NMR and MS provided complementary data that showed that metabolomics is a useful approach for biomarker prospecting in poorly studied species like elasmobranchs.\n
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\n \n\n \n \n \n \n \n \n Estimation of camptothecin and pharmacological evaluation of Ophiorrhiza prostrata D. Don and Ophiorrhiza mungos L.\n \n \n \n \n\n\n \n Krishnakumar, G; Rameshkumar, K.; Srinivas, P.; Satheeshkumar, K; and Krishnan, P.\n\n\n \n\n\n\n Asian Pacific Journal of Tropical Biomedicine, 2(2, Supplement): S727–S731. February 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EstimationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{krishnakumar_estimation_2012,\n\ttitle = {Estimation of camptothecin and pharmacological evaluation of {Ophiorrhiza} prostrata {D}. {Don} and {Ophiorrhiza} mungos {L}.},\n\tvolume = {2},\n\tissn = {2221-1691},\n\turl = {http://www.sciencedirect.com/science/article/pii/S2221169112603049},\n\tdoi = {10.1016/S2221-1691(12)60304-9},\n\tabstract = {Objective \nTo carry out the qualitative and quantitative evaluation of camptothecin, estimation of total phenolic compounds and evaluation of in vitro antioxidant activity and cytotoxic activity of Ophiorrhiza prostrata and Ophiorrhiza mungos. \nMethods \nDirect Analysis in Real Time- Mass Spectrometry (DART-MS) was employed for the detection of camptothecin in the Ophiorrhiza species, while high performance thin layer chromatography (HPTLC) was used for the estimation of camptothecin. Total phenolic compounds were estimated by modified Folins-Ciocalteu's reagent method. Antioxidant activity was evaluated through DPPH radical, hydroxyl radical, superoxide radical scavenging assays and reducing power assay. The cytotoxicity evaluation was performed using MTT assay on MCF-7 cell lines. \nResults \nThe presence of camptothecin was confirmed in both the species by the [M++H] peak at 349 by DART-MS analysis. Camptothecin content was estimated as 1.47 μg/gm (dry wt) in O. prostrata and 188.60 μg/gm (dry wt) in O. mungos using HPTLC method. The moderate in vitro antioxidant activities of the methanol extracts corroborates with the low content of phenolic compounds in O. prostrata (9.88 GAE mg/g) and O. mungos (12.73 GAE mg/g). The methanol extract of O. prostrata exhibited remarkable cytotoxicity on human breast cancer cell lines (MCF-7), with IC50 value 1.10μg/mL compared to O. mungos (3.48μg/mL) and standard camptothecin (3.51μg/mL). \nConclusions \nThe application of DART-MS proved to be a simple and rapid technique for the detection of camptothecin in Ophiorrhiza species. The higher cytotoxicity for O. prostrata, despite the low content of camptothecin suggests the presence of other potential cytotoxic compounds in O. prostrata.},\n\tnumber = {2, Supplement},\n\tjournal = {Asian Pacific Journal of Tropical Biomedicine},\n\tauthor = {Krishnakumar, G and Rameshkumar, KB and Srinivas, Priya and Satheeshkumar, K and Krishnan, PN},\n\tmonth = feb,\n\tyear = {2012},\n\tkeywords = {Antioxidant activity, Camptothecin, Cytotoxicity, DART-MS analysis, HPTLC estimation, Ophiorrhiza mungos, Ophiorrhiza prostrata},\n\tpages = {S727--S731},\n}\n\n\n\n\n\n\n\n
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\n Objective To carry out the qualitative and quantitative evaluation of camptothecin, estimation of total phenolic compounds and evaluation of in vitro antioxidant activity and cytotoxic activity of Ophiorrhiza prostrata and Ophiorrhiza mungos. Methods Direct Analysis in Real Time- Mass Spectrometry (DART-MS) was employed for the detection of camptothecin in the Ophiorrhiza species, while high performance thin layer chromatography (HPTLC) was used for the estimation of camptothecin. Total phenolic compounds were estimated by modified Folins-Ciocalteu's reagent method. Antioxidant activity was evaluated through DPPH radical, hydroxyl radical, superoxide radical scavenging assays and reducing power assay. The cytotoxicity evaluation was performed using MTT assay on MCF-7 cell lines. Results The presence of camptothecin was confirmed in both the species by the [M++H] peak at 349 by DART-MS analysis. Camptothecin content was estimated as 1.47 μg/gm (dry wt) in O. prostrata and 188.60 μg/gm (dry wt) in O. mungos using HPTLC method. The moderate in vitro antioxidant activities of the methanol extracts corroborates with the low content of phenolic compounds in O. prostrata (9.88 GAE mg/g) and O. mungos (12.73 GAE mg/g). The methanol extract of O. prostrata exhibited remarkable cytotoxicity on human breast cancer cell lines (MCF-7), with IC50 value 1.10μg/mL compared to O. mungos (3.48μg/mL) and standard camptothecin (3.51μg/mL). Conclusions The application of DART-MS proved to be a simple and rapid technique for the detection of camptothecin in Ophiorrhiza species. The higher cytotoxicity for O. prostrata, despite the low content of camptothecin suggests the presence of other potential cytotoxic compounds in O. prostrata.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry with collision-induced dissociation for structural analysis of synthetic cannabinoids.\n \n \n \n \n\n\n \n Musah, R. A.; Domin, M. A.; Cody, R. B.; Lesiak, A. D.; John Dane, A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(19): 2335–2342. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{musah_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry with collision-induced dissociation for structural analysis of synthetic cannabinoids},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6354},\n\tdoi = {10.1002/rcm.6354},\n\tabstract = {RATIONALE\n\nThe emergence of numerous cannabinoid designer drugs has been tied to large spikes in emergency room visits and overdoses. Identifying these substances is difficult for the following reasons: (1) the compounds are novel, closely structurally related, and do not usually test positive in drug screens; (2) novel analogs rapidly appear on the market; (3) no standard protocols exist for their identification; and (4) customized and extensive sample preparation/extraction and analysis procedures are required to demonstrate their presence. \n\nMETHODS\n\nDirect analysis in real time mass spectrometry (DART-MS) employing collision-induced dissociation (CID) provided confirmatory structural information that was useful in characterizing the various cannabinoid analogs, including those contained in mixtures. CID analysis illustrated that, although closely related compounds fragment in a similar fashion, their structural differences still resulted in multiple diagnostic peaks that provided additional confidence towards structural identification. \n\nRESULTS\n\nDART-MS spectra were acquired under CID conditions to rapidly differentiate among five synthetic cannabinoids contained within 'herbal' products purchased locally in New York State (USA). The spectra exhibited [M+H]+ ions and product ions unique to each cannabinoid that corresponded to major structural features. Five different cannabinoid analogs, alone and as mixtures of at least two cannabinoids, were identified in six herbal products and differentiated by their CID product ion patterns. \n\nCONCLUSIONS\n\nIllicit synthetic cannabinoid products continue to be readily available despite national and international restrictions. These products contain a wide range of active components, and, in many cases, multiple active ingredients. DART-MS allows rapid analyses of these synthetic cannabinoids based on the exact masses of their [M+H]+ ions and product ion peaks generated using CID. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {19},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Domin, Marek A. and Cody, Robert B. and Lesiak, Ashton D. and John Dane, A. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tpages = {2335--2342},\n}\n\n\n\n
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\n RATIONALE The emergence of numerous cannabinoid designer drugs has been tied to large spikes in emergency room visits and overdoses. Identifying these substances is difficult for the following reasons: (1) the compounds are novel, closely structurally related, and do not usually test positive in drug screens; (2) novel analogs rapidly appear on the market; (3) no standard protocols exist for their identification; and (4) customized and extensive sample preparation/extraction and analysis procedures are required to demonstrate their presence. METHODS Direct analysis in real time mass spectrometry (DART-MS) employing collision-induced dissociation (CID) provided confirmatory structural information that was useful in characterizing the various cannabinoid analogs, including those contained in mixtures. CID analysis illustrated that, although closely related compounds fragment in a similar fashion, their structural differences still resulted in multiple diagnostic peaks that provided additional confidence towards structural identification. RESULTS DART-MS spectra were acquired under CID conditions to rapidly differentiate among five synthetic cannabinoids contained within 'herbal' products purchased locally in New York State (USA). The spectra exhibited [M+H]+ ions and product ions unique to each cannabinoid that corresponded to major structural features. Five different cannabinoid analogs, alone and as mixtures of at least two cannabinoids, were identified in six herbal products and differentiated by their CID product ion patterns. CONCLUSIONS Illicit synthetic cannabinoid products continue to be readily available despite national and international restrictions. These products contain a wide range of active components, and, in many cases, multiple active ingredients. DART-MS allows rapid analyses of these synthetic cannabinoids based on the exact masses of their [M+H]+ ions and product ion peaks generated using CID. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Rapid detection of alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS/MS).\n \n \n \n \n\n\n \n Sun, L.; Hu, X.; Liu, L.; Jin, H.; and Lin, R.\n\n\n \n\n\n\n Zhongguo Zhong Yao Za Zhi, 37: 1426–30. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{sun_rapid_2012,\n\ttitle = {Rapid detection of alkaloids in {Ipecac} by direct analysis in real time tandem mass spectrometry ({DART}-{MS}/{MS})},\n\tvolume = {37},\n\turl = {http://www.ncbi.nlm.nih.gov/pubmed/22860455},\n\tabstract = {OBJECTIVE: To detect alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS) without pre-treatment and chromatographic separation. METHOD: Under the optimum conditions, DART-MS characteristic spectra were collected for tablet of Ipecac powder, Ipecac stems and leaves by full scanning,and secondary spectra were adopted for identifying alkaloids. The multiple reaction monitoring mode was adopted to determine the mass spectrum peak intensity of determinands on the surface of determined samples, in order to calculate their average content in samples. RESULT: Spectra of tablet of Ipecac powder and Ipecac stems showed remarkable ionized ion peaks of emetine and cephaeline at m/z 481 and 467, while spectra of leaves showed ionized ion peaks of other alkaloids at m/z 479 and 465. Furthermore, the quantitative analysis was also demonstrated with good reproducibility and linear relationship. CONCLUSION:  The mode can play a role in rapid determination of medicinal materials and prepared herbal medicines and real-time rapid quantitative analysis on intermediates and preparations.},\n\tlanguage = {Chinese},\n\tjournal = {Zhongguo Zhong Yao Za Zhi},\n\tauthor = {Sun, Lei and Hu, Xiaoru and Liu, Lina and Jin, Hongyu and Lin, Ruichao},\n\tyear = {2012},\n\tpages = {1426--30},\n}\n\n\n\n
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\n OBJECTIVE: To detect alkaloids in Ipecac by direct analysis in real time tandem mass spectrometry (DART-MS) without pre-treatment and chromatographic separation. METHOD: Under the optimum conditions, DART-MS characteristic spectra were collected for tablet of Ipecac powder, Ipecac stems and leaves by full scanning,and secondary spectra were adopted for identifying alkaloids. The multiple reaction monitoring mode was adopted to determine the mass spectrum peak intensity of determinands on the surface of determined samples, in order to calculate their average content in samples. RESULT: Spectra of tablet of Ipecac powder and Ipecac stems showed remarkable ionized ion peaks of emetine and cephaeline at m/z 481 and 467, while spectra of leaves showed ionized ion peaks of other alkaloids at m/z 479 and 465. Furthermore, the quantitative analysis was also demonstrated with good reproducibility and linear relationship. CONCLUSION: The mode can play a role in rapid determination of medicinal materials and prepared herbal medicines and real-time rapid quantitative analysis on intermediates and preparations.\n
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\n \n\n \n \n \n \n \n \n Metabolomic fingerprinting employing DART-TOFMS for authentication of tomatoes and peppers from organic and conventional farming.\n \n \n \n \n\n\n \n Novotná, H.; Kmiecik, O.; Gałązka, M.; Krtková, V.; Hurajová, A.; Schulzová, V.; Hallmann, E.; Rembiałkowska, E.; and Hajšlová, J.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 29(9): 1335–1346. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"MetabolomicPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{novotna_metabolomic_2012,\n\ttitle = {Metabolomic fingerprinting employing {DART}-{TOFMS} for authentication of tomatoes and peppers from organic and conventional farming},\n\tvolume = {29},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2012.690348},\n\tdoi = {10.1080/19440049.2012.690348},\n\tabstract = {The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5\\% for tomato and 100\\% for pepper samples and the prediction abilities were above 80\\% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.\nThe rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5\\% for tomato and 100\\% for pepper samples and the prediction abilities were above 80\\% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.},\n\tnumber = {9},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Novotná, H. and Kmiecik, O. and Gałązka, M. and Krtková, V. and Hurajová, A. and Schulzová, V. and Hallmann, E. and Rembiałkowska, E. and Hajšlová, J.},\n\tyear = {2012},\n\tpages = {1335--1346},\n}\n\n\n\n\n\n\n\n
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\n The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5% for tomato and 100% for pepper samples and the prediction abilities were above 80% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models. The rapidly growing demand for organic food requires the availability of analytical tools enabling their authentication. Recently, metabolomic fingerprinting/profiling has been demonstrated as a challenging option for a comprehensive characterisation of small molecules occurring in plants, since their pattern may reflect the impact of various external factors. In a two-year pilot study, concerned with the classification of organic versus conventional crops, ambient mass spectrometry consisting of a direct analysis in real time (DART) ion source and a time-of-flight mass spectrometer (TOFMS) was employed. This novel methodology was tested on 40 tomato and 24 pepper samples grown under specified conditions. To calculate statistical models, the obtained data (mass spectra) were processed by the principal component analysis (PCA) followed by linear discriminant analysis (LDA). The results from the positive ionisation mode enabled better differentiation between organic and conventional samples than the results from the negative mode. In this case, the recognition ability obtained by LDA was 97.5% for tomato and 100% for pepper samples and the prediction abilities were above 80% for both sample sets. The results suggest that the year of production had stronger influence on the metabolomic fingerprints compared with the type of farming (organic versus conventional). In any case, DART-TOFMS is a promising tool for rapid screening of samples. Establishing comprehensive (multi-sample) long-term databases may further help to improve the quality of statistical classification models.\n
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\n \n\n \n \n \n \n \n \n Graphite-Coated Paper as Substrate for High Sensitivity Analysis in Ambient Surface-Assisted Laser Desorption/Ionization Mass Spectrometry.\n \n \n \n \n\n\n \n Zhang, J.; Li, Z.; Zhang, C.; Feng, B.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Anal. Chem., 84(7): 3296–3301. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"Graphite-CoatedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{zhang_graphite-coated_2012,\n\ttitle = {Graphite-{Coated} {Paper} as {Substrate} for {High} {Sensitivity} {Analysis} in {Ambient} {Surface}-{Assisted} {Laser} {Desorption}/{Ionization} {Mass} {Spectrometry}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac300002g},\n\tdoi = {10.1021/ac300002g},\n\tabstract = {In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.\nIn this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.},\n\tnumber = {7},\n\tjournal = {Anal. Chem.},\n\tauthor = {Zhang, Jialing and Li, Ze and Zhang, Chengsen and Feng, Baosheng and Zhou, Zhigui and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tpages = {3296--3301},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules. In this work, an extremely simple and quite sensitive mass spectrometric method termed ambient surface-assisted laser desorption/ionization mass spectrometry (ambient SALDI-MS) was developed to analyze different kinds of compounds, just using a piece of graphite-coated paper for the sample introduction. This provides great advantage in simplifying the analysis process. The method is quite easy to use, and there is no need to worry about the source of graphite, that is, the brands or the types of pencil. And the whole process was carried out under atmospheric pressure, offering all the merits that could occur in ambient MS. The improved sensitivity of this method is mainly because of the graphite, which serves as energy-transfer medium to absorb the energy of the photons and release it to the analytes that are adsorbed on the graphite surface. Also, three different laser wavelengths (1064, 532, and 355 nm) was tested to investigate the desorption mechanism. Fifty-one compounds, with varied chemical structures, were tried to prove that this new method possessed universal applicability to detect different kinds of small organic molecules.\n
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\n \n\n \n \n \n \n \n \n The evaluation and implementation of direct analysis in real time quadrupole time-of-flight tandem mass spectrometry for characterization and quantification of geniposide in Re Du Ning Injections.\n \n \n \n \n\n\n \n Li, Y.; Wang, Z.; Bi, Y.; Ding, G.; Sheng, L.; Qin, J.; Xiao, W.; Li, J.; Wang, Y.; and Wang, X.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(11): 1377–1384. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{li_evaluation_2012,\n\ttitle = {The evaluation and implementation of direct analysis in real time quadrupole time-of-flight tandem mass spectrometry for characterization and quantification of geniposide in {Re} {Du} {Ning} {Injections}},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6235},\n\tdoi = {10.1002/rcm.6235},\n\tabstract = {RATIONALE\nThe Direct Analysis in Real Time (DART) ionization source coupled with a quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples from complex Chinese herbal preparations without sample cleanup or chromatographic separation. \nMETHODS\nIn this work, a method based on DART/Q-TOF MS/MS has been developed for rapid determination of geniposide present in 'Re Du Ning Injections', a Chinese herbal preparation. The method has been evaluated for both qualitative and quantitative analysis of geniposide in Re Du Ning Injections. \nRESULTS\nVariables including polarity for ion detection, DART gas heater temperature, matrix effect and sample presentation speed were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision and accuracy by using both internal and external standards. A comparison of the results obtained using the DART-based method was made with those obtained using a conventional High-Performance Liquid Chromatography/Diode-Array Detector (HPLC/DAD) by analyzing geniposide in four batches of Re Du Ning Injections. \nCONCLUSIONS\nThe DART/Q-TOF MS/MS-based method provides a rapid, efficient and powerful method to analyze compounds from complex Traditional Chinese Medicines with limited sample preparation thus reducing time and complexity of quality control for those materials. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {11},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Li, Yan-Jing and Wang, Zhen-Zhong and Bi, Yu-An and Ding, Gang and Sheng, Long-Sheng and Qin, Jian-Ping and Xiao, Wei and Li, Jia-Chun and Wang, Yong-Xiang and Wang, Xue},\n\tyear = {2012},\n\tpages = {1377--1384},\n}\n\n\n\n\n\n\n\n
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\n RATIONALE The Direct Analysis in Real Time (DART) ionization source coupled with a quadrupole time-of-flight tandem mass spectrometry (Q-TOF MS/MS) system has the capability to desorb analytes directly from samples from complex Chinese herbal preparations without sample cleanup or chromatographic separation. METHODS In this work, a method based on DART/Q-TOF MS/MS has been developed for rapid determination of geniposide present in 'Re Du Ning Injections', a Chinese herbal preparation. The method has been evaluated for both qualitative and quantitative analysis of geniposide in Re Du Ning Injections. RESULTS Variables including polarity for ion detection, DART gas heater temperature, matrix effect and sample presentation speed were investigated. The quantitative method was validated with respect to linearity, sensitivity, repeatability, precision and accuracy by using both internal and external standards. A comparison of the results obtained using the DART-based method was made with those obtained using a conventional High-Performance Liquid Chromatography/Diode-Array Detector (HPLC/DAD) by analyzing geniposide in four batches of Re Du Ning Injections. CONCLUSIONS The DART/Q-TOF MS/MS-based method provides a rapid, efficient and powerful method to analyze compounds from complex Traditional Chinese Medicines with limited sample preparation thus reducing time and complexity of quality control for those materials. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Where is the next high? - Rapid identification of synthetic cannabinoids in \"Spice\" products.\n \n \n \n\n\n \n Huang, L.; Veltri, M.; Cody, R. B.; Dane, A. J.; Rivera, A.; Marino, M. A.; and Kim, W. J.\n\n\n \n\n\n\n Forensic Science International, submitted. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{huang_where_2012,\n\ttitle = {Where is the next high? - {Rapid} identification of synthetic cannabinoids in "{Spice}" products},\n\tvolume = {submitted},\n\tjournal = {Forensic Science International},\n\tauthor = {Huang, Ling and Veltri, Mercurio and Cody, Robert B. and Dane, A. John and Rivera, Amanda and Marino, Michael A. and Kim, Woen J.},\n\tyear = {2012},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Optimization of direct analysis in real time (DART) linear ion trap parameters for the detection and quantitation of glucose.\n \n \n \n \n\n\n \n Saang'onyo, D. S.; and Smith, D. L.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(3): 385–391. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{saangonyo_optimization_2012,\n\ttitle = {Optimization of direct analysis in real time ({DART}) linear ion trap parameters for the detection and quantitation of glucose},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5316},\n\tdoi = {10.1002/rcm.5316},\n\tabstract = {Presented here are findings for the development and optimization of a simple, high-throughput, and rapid method for the analysis of glucose. Because the applications of glucose and other six-carbon sugars is a growing field of interest especially in the production of biofuels, an efficient and rapid method for their quantitation from lignocelluloses is necessary. Glucose was analyzed using direct analysis in real time (DART) ionization and formed adducts (along with fragmentation) were observed with a linear ion trap (LIT) mass spectrometer. Since DART can be considered a complex thermal desorption ionization process, an optimization study of the helium gas temperature and introduction into the ionization region was performed. It was observed these parameters have a significant effect on the overall signal intensity as well as the signal-to-noise ratios in DART mass spectra. Using these optimized parameters, a set of different glucose concentrations (ranging from 10 to 3000 μM) were analyzed and used to determine a linear dynamic range (with the use of an internal standard). The analysis of the samples was done with minimal sample preparation and found to be reproducible on different days. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Saang'onyo, Daudi S. and Smith, Darrin L.},\n\tyear = {2012},\n\tkeywords = {Ion, trap},\n\tpages = {385--391},\n}\n\n\n\n
\n
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\n Presented here are findings for the development and optimization of a simple, high-throughput, and rapid method for the analysis of glucose. Because the applications of glucose and other six-carbon sugars is a growing field of interest especially in the production of biofuels, an efficient and rapid method for their quantitation from lignocelluloses is necessary. Glucose was analyzed using direct analysis in real time (DART) ionization and formed adducts (along with fragmentation) were observed with a linear ion trap (LIT) mass spectrometer. Since DART can be considered a complex thermal desorption ionization process, an optimization study of the helium gas temperature and introduction into the ionization region was performed. It was observed these parameters have a significant effect on the overall signal intensity as well as the signal-to-noise ratios in DART mass spectra. Using these optimized parameters, a set of different glucose concentrations (ranging from 10 to 3000 μM) were analyzed and used to determine a linear dynamic range (with the use of an internal standard). The analysis of the samples was done with minimal sample preparation and found to be reproducible on different days. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n The Principles and Applications of An Ambient Ionization Method–Direct Analysis in Real Time (DART).\n \n \n \n\n\n \n Zhang, J.; Huo, F.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Progress in Chemistry, 24(1): 101–109. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{zhang_principles_2012,\n\ttitle = {The {Principles} and {Applications} of {An} {Ambient} {Ionization} {Method}–{Direct} {Analysis} in {Real} {Time} ({DART})},\n\tvolume = {24},\n\tabstract = {The development of ionization approach has been focused on the ambient ionization methods in the past decade. DART was first reported by Cody and coworkers in 2005 and has been widely applied in the analysis of various samples including solids, liquids or gases. Helium or nitrogen is chosen as the working gas of DART. The working gas is activated by discharge needle and subsequently heated in the heating cell for the further sample ionization. The DART technology needs minimal or no sample pretreatmentand direct analysis can be carried out by holding sample in the localization between the outlet of DART and the entrance of mass spectrometer. This review presents the development, the ionization mechanism, and the major operation parameters of DART. And the applications in direct analysis of pheromones from live drosophila, screening of counterfeit drugs, identification of ingredient of inksand other samples are summarized. In the end, the technological limitations and development trends of DART are also discussed.},\n\tnumber = {1},\n\tjournal = {Progress in Chemistry},\n\tauthor = {Zhang, Jialing and Huo, Feifeng and Zhou, Zhigui and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {review},\n\tpages = {101--109},\n}\n\n\n\n
\n
\n\n\n
\n The development of ionization approach has been focused on the ambient ionization methods in the past decade. DART was first reported by Cody and coworkers in 2005 and has been widely applied in the analysis of various samples including solids, liquids or gases. Helium or nitrogen is chosen as the working gas of DART. The working gas is activated by discharge needle and subsequently heated in the heating cell for the further sample ionization. The DART technology needs minimal or no sample pretreatmentand direct analysis can be carried out by holding sample in the localization between the outlet of DART and the entrance of mass spectrometer. This review presents the development, the ionization mechanism, and the major operation parameters of DART. And the applications in direct analysis of pheromones from live drosophila, screening of counterfeit drugs, identification of ingredient of inksand other samples are summarized. In the end, the technological limitations and development trends of DART are also discussed.\n
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\n \n\n \n \n \n \n \n Confined direct analysis in real time ion source and its applications in analysis of volatile organic compounds of Citrus limon (lemon) and Allium cepa (onion).\n \n \n \n\n\n \n Li, Y.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(10): 1194–1202. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{li_confined_2012,\n\ttitle = {Confined direct analysis in real time ion source and its applications in analysis of volatile organic compounds of {Citrus} limon (lemon) and {Allium} cepa (onion)},\n\tvolume = {26},\n\tdoi = {10.1002/rcm.6217},\n\tabstract = {The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique that enables efficient ionization of gases, liquids and solids with high throughput. A major limit to its wider application in the analysis of gases is its poor detection sensitivity caused by open-air sampling. In this study, a confined interface between the DART ion source outlet and mass spectrometer sampling orifice was developed, where the plasma generated by the atmospheric pressure glow discharge collides and ionizes gas-phase molecules in a Tee-shaped flow tube instead of in open air. It leads to significant increase of collision reaction probability between high energy metastable molecules and analytes. The experimental results show that the ionization efficiency was increased at least by two orders of magnitude. This technique was then applied in the real time analysis of volatile organic compounds (VOCs) of Citrus Limon (lemon) and wounded Allium Cepa (onion). The confined DART ion source was proved to be a powerful tool for the studies of plant metabolomics.},\n\tnumber = {10},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Li, Y.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1194--1202},\n}\n\n\n\n
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\n\n\n
\n The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique that enables efficient ionization of gases, liquids and solids with high throughput. A major limit to its wider application in the analysis of gases is its poor detection sensitivity caused by open-air sampling. In this study, a confined interface between the DART ion source outlet and mass spectrometer sampling orifice was developed, where the plasma generated by the atmospheric pressure glow discharge collides and ionizes gas-phase molecules in a Tee-shaped flow tube instead of in open air. It leads to significant increase of collision reaction probability between high energy metastable molecules and analytes. The experimental results show that the ionization efficiency was increased at least by two orders of magnitude. This technique was then applied in the real time analysis of volatile organic compounds (VOCs) of Citrus Limon (lemon) and wounded Allium Cepa (onion). The confined DART ion source was proved to be a powerful tool for the studies of plant metabolomics.\n
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\n \n\n \n \n \n \n \n \n Analysis of isoflavones in soybeans employing direct analysis in real-time ionization–high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Lojza, J.; Cajka, T.; Schulzova, V.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Separation Science, 35(3): 476–481. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{lojza_analysis_2012,\n\ttitle = {Analysis of isoflavones in soybeans employing direct analysis in real-time ionization–high-resolution mass spectrometry},\n\tvolume = {35},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.201100882},\n\tdoi = {10.1002/jssc.201100882},\n\tabstract = {A direct analysis in real-time (DART) ion source coupled to a high-resolution orbitrap mass spectrometer was used for the quantitative analysis of isoflavones isolated from soybeans. For the isolation of genistein, daidzein, glycitein, and their respective acetyl, malonyl, and glucoside forms, an extraction employing 80\\% aqueous MeOH enhanced by sonication was used. As far as the total isoflavones (expressed as aglycones) were to be determined, an acid hydrolysis with 80\\% aqueous EtOH and refluxing had to be employed, while in the latter case a good agreement of the results with the data generated by the UHPLC-orbitrap MS method was achieved, in the case of the analysis of non-hydrolyzed extracts, some overestimation of the results as compared with those generated by UHPLC-orbitrap MS was observed. A careful investigation of this phenomenon showed that the free aglycones originated from the conjugated forms of isoflavones in the DART ion source, thus contributing significantly to the “free” genistein/daidzein/glycitein signals during the DART analysis. Good recoveries (95–102\\%) and repeatabilities (RSD: 7–15\\%) were obtained at the spiking levels of 0.5, 1, and 0.05 g/kg, for daidzein, genistein, and glycitein, respectively. The limits of detection estimated for the respective analytes were 5 mg/kg.},\n\tnumber = {3},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Lojza, Jaromir and Cajka, Tomas and Schulzova, Vera and Riddellova, Katerina and Hajslova, Jana},\n\tyear = {2012},\n\tkeywords = {Ambient mass spectrometry, Ambient mass spectrometry; Direct analysis in real time; Isoflavones; Phytoestrogens; Soybean; orbitrap, Direct analysis in real time, Isoflavones, Phytoestrogens, Soybean},\n\tpages = {476--481},\n}\n\n\n\n
\n
\n\n\n
\n A direct analysis in real-time (DART) ion source coupled to a high-resolution orbitrap mass spectrometer was used for the quantitative analysis of isoflavones isolated from soybeans. For the isolation of genistein, daidzein, glycitein, and their respective acetyl, malonyl, and glucoside forms, an extraction employing 80% aqueous MeOH enhanced by sonication was used. As far as the total isoflavones (expressed as aglycones) were to be determined, an acid hydrolysis with 80% aqueous EtOH and refluxing had to be employed, while in the latter case a good agreement of the results with the data generated by the UHPLC-orbitrap MS method was achieved, in the case of the analysis of non-hydrolyzed extracts, some overestimation of the results as compared with those generated by UHPLC-orbitrap MS was observed. A careful investigation of this phenomenon showed that the free aglycones originated from the conjugated forms of isoflavones in the DART ion source, thus contributing significantly to the “free” genistein/daidzein/glycitein signals during the DART analysis. Good recoveries (95–102%) and repeatabilities (RSD: 7–15%) were obtained at the spiking levels of 0.5, 1, and 0.05 g/kg, for daidzein, genistein, and glycitein, respectively. The limits of detection estimated for the respective analytes were 5 mg/kg.\n
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\n \n\n \n \n \n \n \n \n Sensitivity “Hot Spots” in the Direct Analysis in Real Time Mass Spectrometry of Nerve Agent Simulants.\n \n \n \n \n\n\n \n Harris, G. A.; Falcone, C. E.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 23(1): 153–161. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"SensitivityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{harris_sensitivity_2012,\n\ttitle = {Sensitivity “{Hot} {Spotsâ}€ in the {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} of {Nerve} {Agent} {Simulants}},\n\tvolume = {23},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-011-0276-8},\n\tdoi = {10.1007/s13361-011-0276-8},\n\tabstract = {Presented here are findings describing the spatial-dependence of sensitivity and ion suppression effects observed with direct analysis in real time (DART). Continuous liquid infusion of dimethyl methyl phosphonate (DMMP) revealed that ion yield “hot spots” did not always correspond with the highest temperature regions within the ionization space. For instance, at lower concentrations (50 and 100 μM), the highest sensitivities were in the middle of the ionization region at 200 °C where there was a shorter ion transport distance, and the heat available to thermally desorb neutrals was moderate. Conversely, at higher DMMP concentrations (500 μM), the highest ion yield was directly in front of the DART source at 200 °C where it was exposed to the highest temperature for thermal desorption. In matching experiments, differential analyte volatility was observed to play a smaller role in relative ion suppression than differences in proton affinity and the relative sampling positions of analytes. At equimolar concentrations sampled at the same position, suppression was as high as 26× between isoquinoline (proton affinity 952 kJ mol–1, boiling point 242 °C) and p-anisidine (proton affinity 900 kJ mol–1, boiling point 243 °C). This effect was exacerbated when sampling positions of the two analytes differed, reaching levels of relative suppression as high as 4543.0× ± 1406.0. To mitigate this level of relative ion suppression, sampling positions and molar ratios of the analytes were modified to create conditions in which ion suppression was negligible.},\n\tnumber = {1},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Harris, Glenn A. and Falcone, Caitlin E. and Fernández, Facundo M.},\n\tyear = {2012},\n\tkeywords = {Biomedical and Life Sciences, Direct analysis in real time (DART); Ambient MS; Ionization fundamentals; Ion suppression; Nerve agent simulants; AccuTOF},\n\tpages = {153--161},\n}\n\n\n\n
\n
\n\n\n
\n Presented here are findings describing the spatial-dependence of sensitivity and ion suppression effects observed with direct analysis in real time (DART). Continuous liquid infusion of dimethyl methyl phosphonate (DMMP) revealed that ion yield “hot spots” did not always correspond with the highest temperature regions within the ionization space. For instance, at lower concentrations (50 and 100 μM), the highest sensitivities were in the middle of the ionization region at 200 °C where there was a shorter ion transport distance, and the heat available to thermally desorb neutrals was moderate. Conversely, at higher DMMP concentrations (500 μM), the highest ion yield was directly in front of the DART source at 200 °C where it was exposed to the highest temperature for thermal desorption. In matching experiments, differential analyte volatility was observed to play a smaller role in relative ion suppression than differences in proton affinity and the relative sampling positions of analytes. At equimolar concentrations sampled at the same position, suppression was as high as 26× between isoquinoline (proton affinity 952 kJ mol–1, boiling point 242 °C) and p-anisidine (proton affinity 900 kJ mol–1, boiling point 243 °C). This effect was exacerbated when sampling positions of the two analytes differed, reaching levels of relative suppression as high as 4543.0× ± 1406.0. To mitigate this level of relative ion suppression, sampling positions and molar ratios of the analytes were modified to create conditions in which ion suppression was negligible.\n
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\n \n\n \n \n \n \n \n \n Ambient Ionization–Accurate Mass Spectrometry (AMI-AMS) for the Identification of Nonvisible Set-off in Food-Contact Materials.\n \n \n \n \n\n\n \n Bentayeb, K.; Ackerman, L. K.; and Begley, T. H.\n\n\n \n\n\n\n J. Agric. Food Chem., 60(8): 1914–1920. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{bentayeb_ambient_2012,\n\ttitle = {Ambient {Ionizationâ}€“{Accurate} {Mass} {Spectrometry} ({AMI}-{AMS}) for the {Identification} of {Nonvisible} {Set}-off in {Food}-{Contact} {Materials}},\n\tvolume = {60},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf204456z},\n\tdoi = {10.1021/jf204456z},\n\tabstract = {Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging. Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.},\n\tnumber = {8},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Bentayeb, Karim and Ackerman, Luke K. and Begley, Timothy H.},\n\tyear = {2012},\n\tpages = {1914--1920},\n}\n\n\n\n
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\n Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging. Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.\n
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\n \n\n \n \n \n \n \n \n ID-CUBE direct analysis in real time high-resolution mass spectrometry and its capabilities in the identification of phenolic components from the green leaves of Bergenia crassifolia L.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Crawford, E. A.; Shikov, A. N.; Pozharitskaya, O. N.; Makarov, V. G.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(11): 1329–1337. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ID-CUBEPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{chernetsova_id-cube_2012,\n\ttitle = {{ID}-{CUBE} direct analysis in real time high-resolution mass spectrometry and its capabilities in the identification of phenolic components from the green leaves of {Bergenia} crassifolia {L}.},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6226},\n\tdoi = {10.1002/rcm.6226},\n\tabstract = {RATIONALE Bergenia crassifolia is a plant widely used in herbal medicine. Its chemical composition has been little studied, and no studies using high-resolution mass spectrometry (HRMS) have been performed. Its phenolic components are of particular interest, due to the interest in such compounds in medicine and cosmetics. The ID-CUBE, a simplified Direct Analysis in Real Time (DART) ion source, suitable for the fast MS analysis of liquids without complex sample preparation, offers a new method of studying extracts of such plant. Coupling the ID-CUBE with a high-resolution mass spectrometer can provide identification of extract components. METHODS Mass spectral conditions were optimized for model solutions of the flavonoid naringenin and used for the identification of phenolic compounds in green leaves extracts of Bergenia crassifolia. OpenSpot sample cards with a metal grid surface were used for sample introduction into the ID-CUBE ion source on an Obitrap mass spectrometer. The samples were applied as 5-μL aliquots of the extract onto the metal grid of the card. Sample ionization was stimulated in the ion source within 20 s by applying an electric current to the metal grid to thermally desorb the analytes into the gas flow of metastable helium atoms from the ID-CUBE. RESULTS Elemental compositions were assigned to abundant ions in the mass spectra of the extracts. The major phenolic components were confirmed by their [M–H]– ions. Thirty-six other marker ions were found, and elemental compositions were suggested for 30\\% of them, based on a search for compounds found in herbal extracts. CONCLUSIONS The ID-CUBE–Orbitrap MS coupling allowed the rapid accurate mass determination of the phenolic components (and other compounds) in herbal extracts. Higher confidence in component identification could be provided by using additional structural elucidation methods, including tandem mass spectrometry (MS/MS), and this will be the focus of future studies. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {11},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Crawford, Elizabeth A. and Shikov, Alexander N. and Pozharitskaya, Olga N. and Makarov, Valery G. and Morlock, Gertrud E.},\n\tyear = {2012},\n\tpages = {1329--1337},\n}\n\n\n\n
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\n RATIONALE Bergenia crassifolia is a plant widely used in herbal medicine. Its chemical composition has been little studied, and no studies using high-resolution mass spectrometry (HRMS) have been performed. Its phenolic components are of particular interest, due to the interest in such compounds in medicine and cosmetics. The ID-CUBE, a simplified Direct Analysis in Real Time (DART) ion source, suitable for the fast MS analysis of liquids without complex sample preparation, offers a new method of studying extracts of such plant. Coupling the ID-CUBE with a high-resolution mass spectrometer can provide identification of extract components. METHODS Mass spectral conditions were optimized for model solutions of the flavonoid naringenin and used for the identification of phenolic compounds in green leaves extracts of Bergenia crassifolia. OpenSpot sample cards with a metal grid surface were used for sample introduction into the ID-CUBE ion source on an Obitrap mass spectrometer. The samples were applied as 5-μL aliquots of the extract onto the metal grid of the card. Sample ionization was stimulated in the ion source within 20 s by applying an electric current to the metal grid to thermally desorb the analytes into the gas flow of metastable helium atoms from the ID-CUBE. RESULTS Elemental compositions were assigned to abundant ions in the mass spectra of the extracts. The major phenolic components were confirmed by their [M–H]– ions. Thirty-six other marker ions were found, and elemental compositions were suggested for 30% of them, based on a search for compounds found in herbal extracts. CONCLUSIONS The ID-CUBE–Orbitrap MS coupling allowed the rapid accurate mass determination of the phenolic components (and other compounds) in herbal extracts. Higher confidence in component identification could be provided by using additional structural elucidation methods, including tandem mass spectrometry (MS/MS), and this will be the focus of future studies. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry for analysis of sexual assault evidence.\n \n \n \n \n\n\n \n Musah, R. A.; Cody, R. B.; Dane, A. J.; Vuong, A. L.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1039–1046. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{musah_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry for analysis of sexual assault evidence},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6198},\n\tdoi = {10.1002/rcm.6198},\n\tabstract = {RATIONALE Sexual assault crimes are vastly underreported and suffer from alarmingly low prosecution and conviction rates. The key scientific method to aid in prosecution of such cases is forensic DNA analysis, where biological evidence such as semen collected using a rape test kit is used to determine a suspect's DNA profile. However, the growing awareness by criminals of the importance of DNA in the prosecution of sexual assaults has resulted in increased condom use by assailants as a means to avoid leaving behind their DNA. Thus, other types of trace evidence are important to help corroborate victims' accounts, exonerate the innocent, link suspects to the crime, or confirm penetration. METHODS Direct Analysis in Real Time Mass Spectrometry (DART-MS) was employed for the comprehensive characterization of non-DNA trace evidence associated with sexual assault. The ambient ionization method associated with DART-MS is extremely rapid and samples are processed instantaneously, without the need for extraction, sample preparation, or other means that might compromise forensic evidence for future analyses. RESULTS In a single assay, we demonstrated the ability to identify lubricant formulations associated with sexual assault, such as the spermicide nonoxynol-9, compounds used in condom manufacture, and numerous other trace components as probative evidence. In addition, the method can also serve to identify compounds within trace biological residues, such as fatty acids commonly identified in latent fingerprints. CONCLUSIONS Characterization of lubricant residues as probative evidence serves to establish a connection between the victim and the perpetrator, and the availability of these details may lead to higher rates of prosecution and conviction, as well as more severe penalties. The methodology described here opens the way for the adoption of a comprehensive, rapid, and sensitive analysis for use in crime labs, while providing knowledge that can inform and guide criminal justice policy and practice. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Cody, Robert B. and Dane, A. John and Vuong, Angela L. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1039--1046},\n}\n\n\n\n
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\n RATIONALE Sexual assault crimes are vastly underreported and suffer from alarmingly low prosecution and conviction rates. The key scientific method to aid in prosecution of such cases is forensic DNA analysis, where biological evidence such as semen collected using a rape test kit is used to determine a suspect's DNA profile. However, the growing awareness by criminals of the importance of DNA in the prosecution of sexual assaults has resulted in increased condom use by assailants as a means to avoid leaving behind their DNA. Thus, other types of trace evidence are important to help corroborate victims' accounts, exonerate the innocent, link suspects to the crime, or confirm penetration. METHODS Direct Analysis in Real Time Mass Spectrometry (DART-MS) was employed for the comprehensive characterization of non-DNA trace evidence associated with sexual assault. The ambient ionization method associated with DART-MS is extremely rapid and samples are processed instantaneously, without the need for extraction, sample preparation, or other means that might compromise forensic evidence for future analyses. RESULTS In a single assay, we demonstrated the ability to identify lubricant formulations associated with sexual assault, such as the spermicide nonoxynol-9, compounds used in condom manufacture, and numerous other trace components as probative evidence. In addition, the method can also serve to identify compounds within trace biological residues, such as fatty acids commonly identified in latent fingerprints. CONCLUSIONS Characterization of lubricant residues as probative evidence serves to establish a connection between the victim and the perpetrator, and the availability of these details may lead to higher rates of prosecution and conviction, as well as more severe penalties. The methodology described here opens the way for the adoption of a comprehensive, rapid, and sensitive analysis for use in crime labs, while providing knowledge that can inform and guide criminal justice policy and practice. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Rapid analysis of caffeine in various coffee samples employing direct analysis in real-time ionization–high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Danhelova, H.; Hradecky, J.; Prinosilova, S.; Cajka, T.; Riddellova, K.; Vaclavik, L.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–7. 2012.\n 10.1007/s00216-012-5820-2\n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{danhelova_rapid_2012,\n\ttitle = {Rapid analysis of caffeine in various coffee samples employing direct analysis in real-time ionization–high-resolution mass spectrometry},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5820-2},\n\tabstract = {The development and use of a fast method employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) for the quantitative analysis of caffeine in various coffee samples has been demonstrated in this study. A simple sample extraction procedure employing hot water was followed by direct, high-throughput (\\&lt;1 min per run) examination of the extracts spread on a glass rod under optimized conditions of ambient mass spectrometry, without any prior chromatographic separation. For quantification of caffeine using DART-TOFMS, an external calibration was used. Isotopically labeled caffeine was used to compensate for the variations of the ion intensities of caffeine signal. Recoveries of the DART-TOFMS method were 97\\% for instant coffee at the spiking levels of 20 and 60 mg/g, respectively, while for roasted ground coffee, the obtained values were 106\\% and 107\\% at the spiking levels of 10 and 30 mg/g, respectively. The repeatability of the whole analytical procedure (expressed as relative standard deviation, RSD, \\%) was \\&lt;5\\% for all tested spiking levels and matrices. Since the linearity range of the method was relatively narrow (two orders of magnitude), an optimization of sample dilution prior the DART-TOFMS measurement to avoid saturation of the detector was needed.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Danhelova, Hana and Hradecky, Jaromir and Prinosilova, Sarka and Cajka, Tomas and Riddellova, Katerina and Vaclavik, Lukas and Hajslova, Jana},\n\tyear = {2012},\n\tnote = {10.1007/s00216-012-5820-2},\n\tpages = {1--7},\n}\n\n\n\n
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\n\n\n
\n The development and use of a fast method employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) for the quantitative analysis of caffeine in various coffee samples has been demonstrated in this study. A simple sample extraction procedure employing hot water was followed by direct, high-throughput (<1 min per run) examination of the extracts spread on a glass rod under optimized conditions of ambient mass spectrometry, without any prior chromatographic separation. For quantification of caffeine using DART-TOFMS, an external calibration was used. Isotopically labeled caffeine was used to compensate for the variations of the ion intensities of caffeine signal. Recoveries of the DART-TOFMS method were 97% for instant coffee at the spiking levels of 20 and 60 mg/g, respectively, while for roasted ground coffee, the obtained values were 106% and 107% at the spiking levels of 10 and 30 mg/g, respectively. The repeatability of the whole analytical procedure (expressed as relative standard deviation, RSD, %) was <5% for all tested spiking levels and matrices. Since the linearity range of the method was relatively narrow (two orders of magnitude), an optimization of sample dilution prior the DART-TOFMS measurement to avoid saturation of the detector was needed.\n
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\n \n\n \n \n \n \n \n \n Rapid classification of White Oak (Quercus alba) and Northern Red Oak (Quercus rubra) by using pyrolysis direct analysis in real time (DARTâ„¢) and time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Cody, R. B.; Dane, A. J.; Dawson-Andoh, B.; Adedipe, E. O.; and Nkansah, K.\n\n\n \n\n\n\n Journal of Analytical and Applied Pyrolysis, 95: 134–137. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{cody_rapid_2012,\n\ttitle = {Rapid classification of {White} {Oak} ({Quercus} alba) and {Northern} {Red} {Oak} ({Quercus} rubra) by using pyrolysis direct analysis in real time ({DARTâ}„¢) and time-of-flight mass spectrometry},\n\tvolume = {95},\n\tissn = {0165-2370},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0165237012000204},\n\tdoi = {10.1016/j.jaap.2012.01.018},\n\tabstract = {Thirty-four samples of Red Oak (Quercus rubra) and fifty samples of White Oak (Quercus alba) were analyzed by pyrolytic direct analysis in real time (DART) ionization coupled with time-of-flight (TOF) mass spectrometry. Although significant differences were not observed in the positive-ion mass spectra, the negative-ion mass spectra showed clear differences. Principal component analysis (PCA) and linear discriminant analysis (LDA) were calculated for the relative abundances of 11 peaks in the negative-ion mass spectra including peaks tentatively assigned as representing deprotonated acetic, malic, gallic, dimethoxycinnamic, and ellagic acids. Leave one out cross validation (LOOCV) was 100\\% successful in classifying the samples for both PCA and LDA.},\n\tjournal = {Journal of Analytical and Applied Pyrolysis},\n\tauthor = {Cody, Robert B. and Dane, A. John and Dawson-Andoh, Benjamin and Adedipe, Emmanuel Oluwatosin and Nkansah, Kofi},\n\tyear = {2012},\n\tkeywords = {AccuTOF, Ambient ionization, Direct analysis in real time, Red oak, Time-of-flight, White oak},\n\tpages = {134--137},\n}\n\n\n\n
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\n Thirty-four samples of Red Oak (Quercus rubra) and fifty samples of White Oak (Quercus alba) were analyzed by pyrolytic direct analysis in real time (DART) ionization coupled with time-of-flight (TOF) mass spectrometry. Although significant differences were not observed in the positive-ion mass spectra, the negative-ion mass spectra showed clear differences. Principal component analysis (PCA) and linear discriminant analysis (LDA) were calculated for the relative abundances of 11 peaks in the negative-ion mass spectra including peaks tentatively assigned as representing deprotonated acetic, malic, gallic, dimethoxycinnamic, and ellagic acids. Leave one out cross validation (LOOCV) was 100% successful in classifying the samples for both PCA and LDA.\n
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\n \n\n \n \n \n \n \n \n Novel approaches to analysis of 3-chloropropane-1,2-diol esters in vegetable oils.\n \n \n \n \n\n\n \n Moravcova, E.; Vaclavik, L.; Lacina, O.; Hrbek, V.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 402(9): 2871–2883. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"NovelPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{moravcova_novel_2012,\n\ttitle = {Novel approaches to analysis of 3-chloropropane-1,2-diol esters in vegetable oils},\n\tvolume = {402},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5732-1},\n\tdoi = {10.1007/s00216-012-5732-1},\n\tabstract = {A sensitive and accurate method utilizing ultra-high performance liquid chromatography (U-HPLC) coupled to high resolution mass spectrometry based on orbitrap technology (orbitrapMS) for the analysis of nine 3-chloropropane-1,2-diol (3-MCPD) diesters in vegetable oils was developed. To remove the interfering triacylglycerols that induce strong matrix effects, a clean-up step on silica gel column was used. The quantitative analysis was performed with the use of deuterium-labeled internal standards. The lowest calibration levels estimated for the respective analytes ranged from 2 to 5 μg kg −1 . Good recovery values (89–120\\%) and repeatability (RSD 5–9\\%) was obtained at spiking levels of 2 and 10 mg kg −1 . As an alternative, a novel ambient desorption ionization technique, direct analysis in real time (DART), hyphenated with orbitrapMS, was employed for no separation, high-throughput, semi-quantitative screening of 3-MCPD diesters in samples obtained by chromatographic fractionation. Additionally, the levels of 3-MCPD diesters measured in real-life vegetable oil samples (palm oil, sunflower oil, rapeseed oil) using both methods are reported. Relatively good agreement of the data generated by U-HPLC-orbitrapMS and DART-orbitrapMS were observed. With regard to a low ionization yield achieved for 3-MCPD monoesters, the methods presented in this paper were not yet applicable for the analysis of these contaminants at the naturally occurring levels.},\n\tnumber = {9},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Moravcova, Eliska and Vaclavik, Lukas and Lacina, Ondrej and Hrbek, Vojtech and Riddellova, Katerina and Hajslova, Jana},\n\tyear = {2012},\n\tkeywords = {3-MCPD esters; Vegetable oils; U-HPLC-MS; DART-MS; orbitrap, Chemistry and Materials Science},\n\tpages = {2871--2883},\n}\n\n\n\n
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\n A sensitive and accurate method utilizing ultra-high performance liquid chromatography (U-HPLC) coupled to high resolution mass spectrometry based on orbitrap technology (orbitrapMS) for the analysis of nine 3-chloropropane-1,2-diol (3-MCPD) diesters in vegetable oils was developed. To remove the interfering triacylglycerols that induce strong matrix effects, a clean-up step on silica gel column was used. The quantitative analysis was performed with the use of deuterium-labeled internal standards. The lowest calibration levels estimated for the respective analytes ranged from 2 to 5 μg kg −1 . Good recovery values (89–120%) and repeatability (RSD 5–9%) was obtained at spiking levels of 2 and 10 mg kg −1 . As an alternative, a novel ambient desorption ionization technique, direct analysis in real time (DART), hyphenated with orbitrapMS, was employed for no separation, high-throughput, semi-quantitative screening of 3-MCPD diesters in samples obtained by chromatographic fractionation. Additionally, the levels of 3-MCPD diesters measured in real-life vegetable oil samples (palm oil, sunflower oil, rapeseed oil) using both methods are reported. Relatively good agreement of the data generated by U-HPLC-orbitrapMS and DART-orbitrapMS were observed. With regard to a low ionization yield achieved for 3-MCPD monoesters, the methods presented in this paper were not yet applicable for the analysis of these contaminants at the naturally occurring levels.\n
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\n \n\n \n \n \n \n \n \n DART-Orbitrap MS: a novel mass spectrometric approach for the identification of phenolic compounds in propolis.\n \n \n \n \n\n\n \n Chernetsova, E.; Bromirski, M.; Scheibner, O.; and Morlock, G.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–9. 2012.\n 10.1007/s00216-012-5800-6\n\n\n\n
\n\n\n\n \n \n \"DART-OrbitrapPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{chernetsova_dart-orbitrap_2012,\n\ttitle = {{DART}-{Orbitrap} {MS}: a novel mass spectrometric approach for the identification of phenolic compounds in propolis},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5800-6},\n\tabstract = {This is the first direct analysis in real-time mass spectrometry (DART-MS) study of propolis and a first study on the analysis of bee products using high-resolution DART-MS (DART-HRMS). Identification of flavonoids and other phenolic compounds in propolis using direct analysis in real-time coupling with Orbitrap mass spectrometry (DART-Orbitrap MS) was performed in the negative ion mode for minimizing the matrix effects, while the positive ion mode was used for the confirmation of selected compounds. Possible elemental formulae were suggested for marker components. The duration of one sample analysis by DART-MS analysis lasted ca . 30 s, and all benefits of high-resolution mass spectrometry were used upon data processing using the coupling of DART with the Orbitrap mass spectrometer. The possibility for scanning analysis of dried propolis extract spots on a planar porous surface was investigated in the heated gas flow of the DART ion source with adjustable angle. As an independent method, the approach of scanning analysis is of high interest and of future potential for confirmation of the results obtained from liquid sample analysis. Scanning analysis is highly promising for further development in the bioanalytical field due to the convenience of the storage and transportation of dried sample spots.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Chernetsova, Elena and Bromirski, Maciej and Scheibner, Olaf and Morlock, Gertrud},\n\tyear = {2012},\n\tnote = {10.1007/s00216-012-5800-6},\n\tpages = {1--9},\n}\n\n\n\n
\n
\n\n\n
\n This is the first direct analysis in real-time mass spectrometry (DART-MS) study of propolis and a first study on the analysis of bee products using high-resolution DART-MS (DART-HRMS). Identification of flavonoids and other phenolic compounds in propolis using direct analysis in real-time coupling with Orbitrap mass spectrometry (DART-Orbitrap MS) was performed in the negative ion mode for minimizing the matrix effects, while the positive ion mode was used for the confirmation of selected compounds. Possible elemental formulae were suggested for marker components. The duration of one sample analysis by DART-MS analysis lasted ca . 30 s, and all benefits of high-resolution mass spectrometry were used upon data processing using the coupling of DART with the Orbitrap mass spectrometer. The possibility for scanning analysis of dried propolis extract spots on a planar porous surface was investigated in the heated gas flow of the DART ion source with adjustable angle. As an independent method, the approach of scanning analysis is of high interest and of future potential for confirmation of the results obtained from liquid sample analysis. Scanning analysis is highly promising for further development in the bioanalytical field due to the convenience of the storage and transportation of dried sample spots.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry: rapid analysis of soft medicinal formulations.\n \n \n \n \n\n\n \n Abramovich, R.; and Revel’skii, I.\n\n\n \n\n\n\n Pharmaceutical Chemistry Journal, 45(11): 698–700. 2012.\n 10.1007/s11094-012-0705-4\n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{abramovich_dart_2012,\n\ttitle = {{DART} mass spectrometry: rapid analysis of soft medicinal formulations},\n\tvolume = {45},\n\tissn = {0091-150X},\n\turl = {http://dx.doi.org/10.1007/s11094-012-0705-4},\n\tabstract = {The possibility of using the DART mass spectrometry method for rapid analysis of soft medicinal formulations is considered. Studies of “tetracycline”, “Sintomycin Liniment”, and “Levomecol” creams and suppositories based on hard fat were studied. The possibility of using this method for the rapid screening of medicinal formulations in search of counterfeits is discussed. This is the first report of the analysis of suppositories using DART mass spectrometry.},\n\tnumber = {11},\n\tjournal = {Pharmaceutical Chemistry Journal},\n\tauthor = {Abramovich, R. and Revel’skii, I.},\n\tyear = {2012},\n\tnote = {10.1007/s11094-012-0705-4},\n\tpages = {698--700},\n}\n\n\n\n
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\n The possibility of using the DART mass spectrometry method for rapid analysis of soft medicinal formulations is considered. Studies of “tetracycline”, “Sintomycin Liniment”, and “Levomecol” creams and suppositories based on hard fat were studied. The possibility of using this method for the rapid screening of medicinal formulations in search of counterfeits is discussed. This is the first report of the analysis of suppositories using DART mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry combined with single-drop liquid–liquid–liquid microextraction for the rapid analysis of multiple phytohormones in fruit juice.\n \n \n \n \n\n\n \n Bai, Y.; Zhang, J.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–8. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{bai_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry combined with single-drop liquid–liquid–liquid microextraction for the rapid analysis of multiple phytohormones in fruit juice},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5728-x},\n\tdoi = {10.1007/s00216-012-5728-x},\n\tabstract = {A rapid, simple, and efficient method for the fast determination of multiple phytohormones was developed in this work, based on single-drop liquid–liquid–liquid microextraction (SD-LLLME) combined with direct analysis in real-time mass spectrometry (DART-MS). Six phytohormones—indole-3-acetic acid (IAA), indole-3-butyric acid (IBA), jasmonic acid (JA), salicylic acid (SA), abscisic acid (ABA), and gibberellin A 3 (GA 3 )—were analyzed simultaneously using this method, and the conditions employed for DART-MS and SD-LLLME were optimized systematically. Satisfactory results were obtained in terms of linearity ( R 2 values for all phytohormones were 0.991–0.996), sensitivity (limits of detection were 0.65–72 ng/mL), and repeatability (RSD values were 6.9–14\\%). In addition, the proposed method was applied to determine the endogenous phytohormones in three kinds of fruit juice. Different concentrations of phytohormones were detected with satisfactory recoveries, and the whole analytical procedure took no more than 30 min. Therefore, this combination of SD-LLLME and DART-MS was shown to be a suitable and effective approach for the fast analysis of targets present at trace level concentrations in complex matrices.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Bai, Yu and Zhang, Jialing and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {Chemistry, Materials, Science, and},\n\tpages = {1--8},\n}\n\n\n\n
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\n A rapid, simple, and efficient method for the fast determination of multiple phytohormones was developed in this work, based on single-drop liquid–liquid–liquid microextraction (SD-LLLME) combined with direct analysis in real-time mass spectrometry (DART-MS). Six phytohormones—indole-3-acetic acid (IAA), indole-3-butyric acid (IBA), jasmonic acid (JA), salicylic acid (SA), abscisic acid (ABA), and gibberellin A 3 (GA 3 )—were analyzed simultaneously using this method, and the conditions employed for DART-MS and SD-LLLME were optimized systematically. Satisfactory results were obtained in terms of linearity ( R 2 values for all phytohormones were 0.991–0.996), sensitivity (limits of detection were 0.65–72 ng/mL), and repeatability (RSD values were 6.9–14%). In addition, the proposed method was applied to determine the endogenous phytohormones in three kinds of fruit juice. Different concentrations of phytohormones were detected with satisfactory recoveries, and the whole analytical procedure took no more than 30 min. Therefore, this combination of SD-LLLME and DART-MS was shown to be a suitable and effective approach for the fast analysis of targets present at trace level concentrations in complex matrices.\n
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\n \n\n \n \n \n \n \n \n Chemometric Classification of Morphologically Similar Umbelliferae Medicinal Herbs by DART-TOF-MS Fingerprint.\n \n \n \n \n\n\n \n Lee, S. M.; Kim, H.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,n/a. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ChemometricPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{lee_chemometric_2012,\n\ttitle = {Chemometric {Classification} of {Morphologically} {Similar} {Umbelliferae} {Medicinal} {Herbs} by {DART}-{TOF}-{MS} {Fingerprint}},\n\tissn = {1099-1565},\n\turl = {http://dx.doi.org/10.1002/pca.2348},\n\tdoi = {10.1002/pca.2348},\n\tabstract = {Introduction It needs many years of special training to gain expertise on the organoleptic classification of botanical raw materials and, even for those experts, discrimination among Umbelliferae medicinal herbs remains an intricate challenge due to their morphological similarity. Objective To develop a new chemometric classification method using a direct analysis in real time–time of flight–mass spectrometry (DART-TOF-MS) fingerprinting for Umbelliferae medicinal herbs and to provide a platform for its application to the discrimination of other herbal medicines. Methodology Angelica tenuissima, Angelica gigas, Angelica dahurica and Cnidium officinale were chosen for this study and ten samples of each species were purchased from various Korean markets. DART-TOF-MS was employed on powdered raw materials to obtain a chemical fingerprint of each sample and the orthogonal partial-least squares method in discriminant analysis (OPLS-DA) was used for multivariate analysis. Results All samples of collected species were successfully discriminated from each other according to their characteristic DART-TOF-MS fingerprint. Decursin (or decursinol angelate) and byakangelicol were identified as marker molecules for Angelica gigas and A. dahurica, respectively. Using the OPLS method for discriminant analysis, Angelica tenuissima and Cnidium officinale were clearly separated into two groups. Angelica tenuissima was characterised by the presence of ligustilide and unidentified molecular ions of m/z 239 and 283, while senkyunolide A together with signals with m/z 387 and 389 were the marker compounds for Cnidium officinale. Conclusion Elaborating with chemoinformatics, DART-TOF-MS fingerprinting with chemoinformatic tools results in a powerful method for the classification of morphologically similar Umbelliferae medicinal herbs and quality control of medicinal herbal products, including the extracts of these crude drugs. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Lee, Sang Min and Kim, Hye-Jin and Jang, Young Pyo},\n\tyear = {2012},\n\tkeywords = {DART-TOF-MS, DART-TOF-MS; multivariate analysis; OPLS-DA; metabolomics; Umbelliferae; AccuTOF, OPLS-DA, Umbelliferae, metabolomics, multivariate analysis},\n\tpages = {n/a},\n}\n\n\n\n
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\n\n\n
\n Introduction It needs many years of special training to gain expertise on the organoleptic classification of botanical raw materials and, even for those experts, discrimination among Umbelliferae medicinal herbs remains an intricate challenge due to their morphological similarity. Objective To develop a new chemometric classification method using a direct analysis in real time–time of flight–mass spectrometry (DART-TOF-MS) fingerprinting for Umbelliferae medicinal herbs and to provide a platform for its application to the discrimination of other herbal medicines. Methodology Angelica tenuissima, Angelica gigas, Angelica dahurica and Cnidium officinale were chosen for this study and ten samples of each species were purchased from various Korean markets. DART-TOF-MS was employed on powdered raw materials to obtain a chemical fingerprint of each sample and the orthogonal partial-least squares method in discriminant analysis (OPLS-DA) was used for multivariate analysis. Results All samples of collected species were successfully discriminated from each other according to their characteristic DART-TOF-MS fingerprint. Decursin (or decursinol angelate) and byakangelicol were identified as marker molecules for Angelica gigas and A. dahurica, respectively. Using the OPLS method for discriminant analysis, Angelica tenuissima and Cnidium officinale were clearly separated into two groups. Angelica tenuissima was characterised by the presence of ligustilide and unidentified molecular ions of m/z 239 and 283, while senkyunolide A together with signals with m/z 387 and 389 were the marker compounds for Cnidium officinale. Conclusion Elaborating with chemoinformatics, DART-TOF-MS fingerprinting with chemoinformatic tools results in a powerful method for the classification of morphologically similar Umbelliferae medicinal herbs and quality control of medicinal herbal products, including the extracts of these crude drugs. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Rapid qualitative analysis of phthalates added to food and nutraceutical products by direct analysis in real time/orbitrap mass spectrometry.\n \n \n \n \n\n\n \n Self, R. L.; and Wu, W.\n\n\n \n\n\n\n Food Control, 25(1): 13–16. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{self_rapid_2012,\n\ttitle = {Rapid qualitative analysis of phthalates added to food and nutraceutical products by direct analysis in real time/orbitrap mass spectrometry},\n\tvolume = {25},\n\tissn = {0956-7135},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0956713511004178},\n\tdoi = {10.1016/j.foodcont.2011.10.013},\n\tabstract = {A recent food safety issue involves the contamination of a broad range of food and nutraceutical products from Taiwan with industrial plasticizers. Among the suspected contaminants are selected phthalic acid esters, such as benzyl butyl phthalate, dibutyl phthalate, diisobutyl phthalate, di-2-ethylhexyl phthalate, di-n-octyl phthalate, diisononyl phthalate, and diisodecyl phthalate. Described in this study is an analytical method to rapidly qualitatively analyze these compounds in a wide variety of food and nutraceutical matrices suspected in this crisis. The method utilizes direct analysis in real time (DART) ionization coupled to a Thermo Exactive orbitrap mass spectrometer. The method is shown to be capable of detecting these compounds at levels greater than 1.0 μg/mL in all food products examined and 0.5 μg/mL in most of the samples tested. In the nutraceutical samples tested, the compounds were detected at levels of 50 μg/g for all samples with some detected as low as 1.0 μg/g.},\n\tnumber = {1},\n\tjournal = {Food Control},\n\tauthor = {Self, Randy L. and Wu, Wen-Hsin},\n\tyear = {2012},\n\tkeywords = {Direct analysis in real time (DART), Food safety, Orbitrap, Phthalates, Phthalates; Direct analysis in real time (DART); Orbitrap; Food safety},\n\tpages = {13--16},\n}\n\n\n\n
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\n A recent food safety issue involves the contamination of a broad range of food and nutraceutical products from Taiwan with industrial plasticizers. Among the suspected contaminants are selected phthalic acid esters, such as benzyl butyl phthalate, dibutyl phthalate, diisobutyl phthalate, di-2-ethylhexyl phthalate, di-n-octyl phthalate, diisononyl phthalate, and diisodecyl phthalate. Described in this study is an analytical method to rapidly qualitatively analyze these compounds in a wide variety of food and nutraceutical matrices suspected in this crisis. The method utilizes direct analysis in real time (DART) ionization coupled to a Thermo Exactive orbitrap mass spectrometer. The method is shown to be capable of detecting these compounds at levels greater than 1.0 μg/mL in all food products examined and 0.5 μg/mL in most of the samples tested. In the nutraceutical samples tested, the compounds were detected at levels of 50 μg/g for all samples with some detected as low as 1.0 μg/g.\n
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\n \n\n \n \n \n \n \n \n Evaluating a direct swabbing method for screening pesticides on fruit and vegetable surfaces using direct analysis in real time (DART) coupled to an Exactive benchtop orbitrap mass spectrometer.\n \n \n \n \n\n\n \n Crawford, E.; and Musselman, B.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry,1–6. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{crawford_evaluating_2012,\n\ttitle = {Evaluating a direct swabbing method for screening pesticides on fruit and vegetable surfaces using direct analysis in real time ({DART}) coupled to an {Exactive} benchtop orbitrap mass spectrometer},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5853-6},\n\tdoi = {10.1007/s00216-012-5853-6},\n\tabstract = {Rapid screening of pesticides present on the surfaces of fruits and vegetables has been facilitated by using a Direct Analysis in Real Time (DART®) open air surface desorption ionization source coupled to an Exactive® high-resolution accurate mass benchtop orbitrap mass spectrometer. The use of cotton and polyester cleaning swabs to collect and retain pesticides for subsequent open air desorption ionization is demonstrated by sampling the surface of various produce to which solutions of pesticides have been applied at levels 10 and 100 times below the tolerance levels established by the United States Environmental Protection Agency (US EPA). Samples analyzed include cherry tomatoes, oranges, peaches and carrots each chosen for their surface characteristics which include: smooth, pitted, fuzzy, and rough respectively. Results from the direct analysis of fungicides on store-bought oranges are also described. In all cases, the swabs were introduced directly into the heated ionizing gas of the DART source resulting in production of protonated pesticide molecules within seconds of sampling. Operation of the orbitrap mass spectrometer at 25,000 full-width half maximum resolution was sufficient to generate high-quality accurate mass data. Stable external mass calibration eliminated the need for addition of standards typically required for mass calibration, thus allowing multiple analyses to be completed without instrument recalibration.},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Crawford, Elizabeth and Musselman, Brian},\n\tyear = {2012},\n\tkeywords = {Chemistry, Materials, Science, and},\n\tpages = {1--6},\n}\n\n\n\n
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\n Rapid screening of pesticides present on the surfaces of fruits and vegetables has been facilitated by using a Direct Analysis in Real Time (DART®) open air surface desorption ionization source coupled to an Exactive® high-resolution accurate mass benchtop orbitrap mass spectrometer. The use of cotton and polyester cleaning swabs to collect and retain pesticides for subsequent open air desorption ionization is demonstrated by sampling the surface of various produce to which solutions of pesticides have been applied at levels 10 and 100 times below the tolerance levels established by the United States Environmental Protection Agency (US EPA). Samples analyzed include cherry tomatoes, oranges, peaches and carrots each chosen for their surface characteristics which include: smooth, pitted, fuzzy, and rough respectively. Results from the direct analysis of fungicides on store-bought oranges are also described. In all cases, the swabs were introduced directly into the heated ionizing gas of the DART source resulting in production of protonated pesticide molecules within seconds of sampling. Operation of the orbitrap mass spectrometer at 25,000 full-width half maximum resolution was sufficient to generate high-quality accurate mass data. Stable external mass calibration eliminated the need for addition of standards typically required for mass calibration, thus allowing multiple analyses to be completed without instrument recalibration.\n
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\n \n\n \n \n \n \n \n \n Assessing the capabilities of direct analysis in real time mass spectrometry for 5-hydroxymethylfurfural quantitation in honey.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 314: 22–32. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AssessingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{chernetsova_assessing_2012,\n\ttitle = {Assessing the capabilities of direct analysis in real time mass spectrometry for 5-hydroxymethylfurfural quantitation in honey},\n\tvolume = {314},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380612000280},\n\tdoi = {10.1016/j.ijms.2012.01.012},\n\tabstract = {The limitations of direct analysis in real time mass spectrometry (DART-MS) were shown with the example of 5-hydroxymethylfurfural (HMF) quantitation in honey. An accurate analyte quantitation was impossible because the carbohydrate matrix partially degraded to the analyte in the ionization region. However, at a decreased DART temperature of 150\\&\\#xa0;°C, the DART-MS screening was possible using two spiked reference samples. The influence of instrumental parameters on the composition of the DART mass spectra for HMF and carbohydrates was investigated. Also, first data on scanning surface analysis with DART-MS were obtained giving rise for further studies in this direction.},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tyear = {2012},\n\tkeywords = {5-Hydroxymethylfurfural, Carbohydrates, Direct analysis in real time mass spectrometry, Direct analysis in real time mass spectrometry; Honey; 5-Hydroxymethylfurfural; HMF; Carbohydrates; Screening assays, HMF, Honey, Screening},\n\tpages = {22--32},\n}\n\n\n\n
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\n The limitations of direct analysis in real time mass spectrometry (DART-MS) were shown with the example of 5-hydroxymethylfurfural (HMF) quantitation in honey. An accurate analyte quantitation was impossible because the carbohydrate matrix partially degraded to the analyte in the ionization region. However, at a decreased DART temperature of 150 Â°C, the DART-MS screening was possible using two spiked reference samples. The influence of instrumental parameters on the composition of the DART mass spectra for HMF and carbohydrates was investigated. Also, first data on scanning surface analysis with DART-MS were obtained giving rise for further studies in this direction.\n
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\n \n\n \n \n \n \n \n \n Rapid control of Chinese star anise fruits and teas for neurotoxic anisatin by Direct Analysis in Real Time (DART) high resolution mass spectrometry.\n \n \n \n \n\n\n \n Shen, Y.; van Beek, T. A.; Claassen, F. W.; Zuilhof, H.; Chen, B.; and Nielen, M. W.\n\n\n \n\n\n\n Journal of Chromatography A. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{shen_rapid_2012,\n\ttitle = {Rapid control of {Chinese} star anise fruits and teas for neurotoxic anisatin by {Direct} {Analysis} in {Real} {Time} ({DART}) high resolution mass spectrometry},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967312004712},\n\tdoi = {10.1016/j.chroma.2012.03.058},\n\tabstract = {After ingestion, products containing Chinese star anise (Illicium verum) contaminated or adulterated with Japanese star anise (Illicium anisatum) or other Illicium species, can cause epilepsy, hallucinations, and nausea due to the rare neurotoxic sesquiterpene dilactone anisatin that is present in Japanese star anise. Thus a rapid, simple and unambiguous method for distinguishing between the morphologically similar Chinese star anise and toxic Japanese star anise is important for food safety issues. Direct Analysis in Real Time (DART) ambient ionisation coupled with orbitrap high resolution mass spectrometry allowed the recording of mass spectra of anisatin in solid star anise fruits in seconds without any prior sample pretreatment. Spectra could be obtained in both positive ([M+NH4]+ at m/z 346.1496, C15H24NO8) and negative mode ([M−H]− at m/z 327.1074, C15H19O8) and gave the same outcome provided a mass resolution of at least 27,000 is available. The anisatin signal was typically \\&gt;1000 times larger in Japanese star anise than in Chinese star anise thus allowing an unequivocal qualitative determination. Herbal teas containing star anise fragments too small to be visually recognised, could be analysed by preparing a tea in 6\\&\\#xa0;min and subsequently sampling ∼2\\&\\#xa0;μL of tea on a glass rod. None of the 8 investigated retail teas contained significant quantities of anisatin. Spiking a complex herbal tea containing Chinese star anise with an equally concentrated tea prepared from Japanese star anise provided a linear calibration curve (R2\\&\\#xa0;≥\\&\\#xa0;0.995) after normalising on a native constituent of Chinese star anise (standard addition method). This showed that adulteration down to 1\\% (w/w) is still measurable. Compared with existing PCR, TLC, GC–MS and HPLC–ESI-MS/MS procedures, the proposed DART–HRMS procedure is faster and simpler and moreover measures the actual biotoxin.},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Shen, Yao and van Beek, Teris A. and Claassen, Frank W. and Zuilhof, Han and Chen, Bo and Nielen, Michel W.F.},\n\tyear = {2012},\n\tkeywords = {Anisatin, Biotoxin, DART, Food analysis, Star anise, mass spectrometry},\n}\n\n\n\n
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\n After ingestion, products containing Chinese star anise (Illicium verum) contaminated or adulterated with Japanese star anise (Illicium anisatum) or other Illicium species, can cause epilepsy, hallucinations, and nausea due to the rare neurotoxic sesquiterpene dilactone anisatin that is present in Japanese star anise. Thus a rapid, simple and unambiguous method for distinguishing between the morphologically similar Chinese star anise and toxic Japanese star anise is important for food safety issues. Direct Analysis in Real Time (DART) ambient ionisation coupled with orbitrap high resolution mass spectrometry allowed the recording of mass spectra of anisatin in solid star anise fruits in seconds without any prior sample pretreatment. Spectra could be obtained in both positive ([M+NH4]+ at m/z 346.1496, C15H24NO8) and negative mode ([M−H]− at m/z 327.1074, C15H19O8) and gave the same outcome provided a mass resolution of at least 27,000 is available. The anisatin signal was typically >1000 times larger in Japanese star anise than in Chinese star anise thus allowing an unequivocal qualitative determination. Herbal teas containing star anise fragments too small to be visually recognised, could be analysed by preparing a tea in 6 min and subsequently sampling ∼2 Î¼L of tea on a glass rod. None of the 8 investigated retail teas contained significant quantities of anisatin. Spiking a complex herbal tea containing Chinese star anise with an equally concentrated tea prepared from Japanese star anise provided a linear calibration curve (R2 â‰¥ 0.995) after normalising on a native constituent of Chinese star anise (standard addition method). This showed that adulteration down to 1% (w/w) is still measurable. Compared with existing PCR, TLC, GC–MS and HPLC–ESI-MS/MS procedures, the proposed DART–HRMS procedure is faster and simpler and moreover measures the actual biotoxin.\n
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\n \n\n \n \n \n \n \n \n Analysis of select Dalbergia and trade timber using direct analysis in real time and time-of-flight mass spectrometry for CITES enforcement.\n \n \n \n \n\n\n \n Lancaster, C.; and Espinoza, E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1147–1156. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{lancaster_analysis_2012,\n\ttitle = {Analysis of select {Dalbergia} and trade timber using direct analysis in real time and time-of-flight mass spectrometry for {CITES} enforcement},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6215},\n\tdoi = {10.1002/rcm.6215},\n\tabstract = {RATIONALE International trade of several Dalbergia wood species is regulated by The Convention on International Trade in Endangered Species of Wild Fauna and Flora (CITES). In order to supplement morphological identification of these species, a rapid chemical method of analysis was developed. METHODS Using Direct Analysis in Real Time (DART) ionization coupled with Time-of-Flight (TOF) Mass Spectrometry (MS), selected Dalbergia and common trade species were analyzed. Each of the 13 wood species was classified using principal component analysis and linear discriminant analysis (LDA). These statistical data clusters served as reliable anchors for species identification of unknowns. RESULTS Analysis of 20 or more samples from the 13 species studied in this research indicates that the DART-TOFMS results are reproducible. Statistical analysis of the most abundant ions gave good classifications that were useful for identifying unknown wood samples. CONCLUSIONS DART-TOFMS and LDA analysis of 13 species of selected timber samples and the statistical classification allowed for the correct assignment of unknown wood samples. This method is rapid and can be useful when anatomical identification is difficult but needed in order to support CITES enforcement. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Lancaster, Cady and Espinoza, Edgard},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1147--1156},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE International trade of several Dalbergia wood species is regulated by The Convention on International Trade in Endangered Species of Wild Fauna and Flora (CITES). In order to supplement morphological identification of these species, a rapid chemical method of analysis was developed. METHODS Using Direct Analysis in Real Time (DART) ionization coupled with Time-of-Flight (TOF) Mass Spectrometry (MS), selected Dalbergia and common trade species were analyzed. Each of the 13 wood species was classified using principal component analysis and linear discriminant analysis (LDA). These statistical data clusters served as reliable anchors for species identification of unknowns. RESULTS Analysis of 20 or more samples from the 13 species studied in this research indicates that the DART-TOFMS results are reproducible. Statistical analysis of the most abundant ions gave good classifications that were useful for identifying unknown wood samples. CONCLUSIONS DART-TOFMS and LDA analysis of 13 species of selected timber samples and the statistical classification allowed for the correct assignment of unknown wood samples. This method is rapid and can be useful when anatomical identification is difficult but needed in order to support CITES enforcement. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization.\n \n \n \n\n\n \n He, X.; Xie, Z.; Gao, Y.; Hu, W.; Guo, L.; Jiang, L.; and Lu, Y.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 67: 64–73. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{he_mass_2012,\n\ttitle = {Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization},\n\tvolume = {67},\n\tabstract = {Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {He, X.N. and Xie, Z.Q. and Gao, Y. and Hu, W. and Guo, L.B. and Jiang, L. and Lu, Y.F.},\n\tyear = {2012},\n\tkeywords = {AccuTOF, DART;, LI-TOFMS;, LIBS;, Laser-induced, plasma;},\n\tpages = {64--73},\n}\n\n\n\n
\n
\n\n\n
\n Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.\n
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\n \n\n \n \n \n \n \n \n Coupling of planar chromatography with Direct Analysis in Real Time mass spectrometry.\n \n \n \n \n\n\n \n Morlock, G.; and Chernetsova, E.\n\n\n \n\n\n\n Central European Journal of Chemistry, 10(3): 703–710. 2012.\n 10.2478/s11532-012-0025-2\n\n\n\n
\n\n\n\n \n \n \"CouplingPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{morlock_coupling_2012,\n\ttitle = {Coupling of planar chromatography with {Direct} {Analysis} in {Real} {Time} mass spectrometry},\n\tvolume = {10},\n\tissn = {1895-1066},\n\turl = {http://dx.doi.org/10.2478/s11532-012-0025-2},\n\tabstract = {Direct Analysis in Real Time mass spectrometry (DART-MS) is an emerging and rapidly developing area of ambient desorption ionization mass spectrometric techniques. Its coupling with planar chromatography is especially promising, as compared to other ambient desorption ionization techniques, because it does not require the use of liquids that may distort the shape of a spot by diffusion effects. In the first publications on TLC/HPTLC-DART-MS, due to the fixed, horizontally aligned supply of the gas flow from the DART ionization source to the MS inlet, the introduction of HPTLC/TLC plates as cut strips was inconvenient for quantitation, and the repeatability was very low due to the manual positioning. Recently a new version of the DART ion source was suggested, which allows adjusting the angle of the DART gas stream and the use of a motorized rail, thereby, improving highly the capabilities of TLC/HPTLC-DART-MS. This comprehensive review describes the development and analytical capabilities of TLC/HPTLC-DART-MS, and the general DART-MS perspectives for surface analysis or imaging MS.},\n\tnumber = {3},\n\tjournal = {Central European Journal of Chemistry},\n\tauthor = {Morlock, Gertrud and Chernetsova, Elena},\n\tyear = {2012},\n\tnote = {10.2478/s11532-012-0025-2},\n\tpages = {703--710},\n}\n\n\n\n
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\n\n\n
\n Direct Analysis in Real Time mass spectrometry (DART-MS) is an emerging and rapidly developing area of ambient desorption ionization mass spectrometric techniques. Its coupling with planar chromatography is especially promising, as compared to other ambient desorption ionization techniques, because it does not require the use of liquids that may distort the shape of a spot by diffusion effects. In the first publications on TLC/HPTLC-DART-MS, due to the fixed, horizontally aligned supply of the gas flow from the DART ionization source to the MS inlet, the introduction of HPTLC/TLC plates as cut strips was inconvenient for quantitation, and the repeatability was very low due to the manual positioning. Recently a new version of the DART ion source was suggested, which allows adjusting the angle of the DART gas stream and the use of a motorized rail, thereby, improving highly the capabilities of TLC/HPTLC-DART-MS. This comprehensive review describes the development and analytical capabilities of TLC/HPTLC-DART-MS, and the general DART-MS perspectives for surface analysis or imaging MS.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of synthetic cannabinoids in herbal samples via direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Musah, R. A.; Domin, M. A.; Walling, M. A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1109–1114. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{musah_rapid_2012,\n\ttitle = {Rapid identification of synthetic cannabinoids in herbal samples via direct analysis in real time mass spectrometry},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6205},\n\tdoi = {10.1002/rcm.6205},\n\tabstract = {RATIONALE Dozens of synthetic cannabinoid analogs purposefully meant to circumvent legal restrictions associated with controlled substances continue to be manufactured and promoted as producing 'legal highs'. These designer drugs are difficult to identify in conventional drug screens not only because routine protocols have not been developed for their detection, but also because their association with complex plant matrices during manufacture generally requires labor-intensive extraction and sample preparation for analysis. To address this new and important challenge in forensic chemistry, Direct Analysis in Real Time Mass Spectrometry (DART-MS) is applied to the analysis of these designer drugs. METHODS DART-MS was employed to sample synthetic cannabinoids directly on botanical matrices. The ambient ionization method associated with DART-MS permitted the analysis of solid herbal samples directly, without the need for extraction or sample preparation. The high mass resolution time-of-flight analyzer allowed identification of these substances despite their presence within a complex matrix and enabled differentiation of closely related analogs. RESULTS DART-MS was performed to rapidly identify the synthetic cannabinoids AM-251 and JWH-015. For each cannabinoid, three hundred micrograms (300 µg) of material was easily detected within an excess of background matrix by mass. CONCLUSIONS New variations of herbal blends containing a wide range of base components and laced with synthetic cannabinoids are being produced, making their presence difficult to track by conventional methods. DART-MS permits rapid identification of trace synthetic cannabinoids within complex biological matrices, with excellent sensitivity and specificity compared with standard methods. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Domin, Marek A. and Walling, Maureen A. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1109--1114},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Dozens of synthetic cannabinoid analogs purposefully meant to circumvent legal restrictions associated with controlled substances continue to be manufactured and promoted as producing 'legal highs'. These designer drugs are difficult to identify in conventional drug screens not only because routine protocols have not been developed for their detection, but also because their association with complex plant matrices during manufacture generally requires labor-intensive extraction and sample preparation for analysis. To address this new and important challenge in forensic chemistry, Direct Analysis in Real Time Mass Spectrometry (DART-MS) is applied to the analysis of these designer drugs. METHODS DART-MS was employed to sample synthetic cannabinoids directly on botanical matrices. The ambient ionization method associated with DART-MS permitted the analysis of solid herbal samples directly, without the need for extraction or sample preparation. The high mass resolution time-of-flight analyzer allowed identification of these substances despite their presence within a complex matrix and enabled differentiation of closely related analogs. RESULTS DART-MS was performed to rapidly identify the synthetic cannabinoids AM-251 and JWH-015. For each cannabinoid, three hundred micrograms (300 µg) of material was easily detected within an excess of background matrix by mass. CONCLUSIONS New variations of herbal blends containing a wide range of base components and laced with synthetic cannabinoids are being produced, making their presence difficult to track by conventional methods. DART-MS permits rapid identification of trace synthetic cannabinoids within complex biological matrices, with excellent sensitivity and specificity compared with standard methods. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Analysis of isoflavones in soybeans employing direct analysis in real-time ionization–high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Lojza, J.; Cajka, T.; Schulzova, V.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Separation Science, 35(3): 476–481. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{lojza_analysis_2012,\n\ttitle = {Analysis of isoflavones in soybeans employing direct analysis in real-time ionization–high-resolution mass spectrometry},\n\tvolume = {35},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.201100882},\n\tdoi = {10.1002/jssc.201100882},\n\tabstract = {A direct analysis in real-time (DART) ion source coupled to a high-resolution orbitrap mass spectrometer was used for the quantitative analysis of isoflavones isolated from soybeans. For the isolation of genistein, daidzein, glycitein, and their respective acetyl, malonyl, and glucoside forms, an extraction employing 80\\% aqueous MeOH enhanced by sonication was used. As far as the total isoflavones (expressed as aglycones) were to be determined, an acid hydrolysis with 80\\% aqueous EtOH and refluxing had to be employed, while in the latter case a good agreement of the results with the data generated by the UHPLC-orbitrap MS method was achieved, in the case of the analysis of non-hydrolyzed extracts, some overestimation of the results as compared with those generated by UHPLC-orbitrap MS was observed. A careful investigation of this phenomenon showed that the free aglycones originated from the conjugated forms of isoflavones in the DART ion source, thus contributing significantly to the “free” genistein/daidzein/glycitein signals during the DART analysis. Good recoveries (95–102\\%) and repeatabilities (RSD: 7–15\\%) were obtained at the spiking levels of 0.5, 1, and 0.05 g/kg, for daidzein, genistein, and glycitein, respectively. The limits of detection estimated for the respective analytes were 5 mg/kg.},\n\tnumber = {3},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Lojza, Jaromir and Cajka, Tomas and Schulzova, Vera and Riddellova, Katerina and Hajslova, Jana},\n\tyear = {2012},\n\tkeywords = {Ambient mass spectrometry, Ambient mass spectrometry; Direct analysis in real time; Isoflavones; Phytoestrogens; Soybean; orbitrap, Direct analysis in real time, Isoflavones, Phytoestrogens, Soybean},\n\tpages = {476--481},\n}\n\n\n\n
\n
\n\n\n
\n A direct analysis in real-time (DART) ion source coupled to a high-resolution orbitrap mass spectrometer was used for the quantitative analysis of isoflavones isolated from soybeans. For the isolation of genistein, daidzein, glycitein, and their respective acetyl, malonyl, and glucoside forms, an extraction employing 80% aqueous MeOH enhanced by sonication was used. As far as the total isoflavones (expressed as aglycones) were to be determined, an acid hydrolysis with 80% aqueous EtOH and refluxing had to be employed, while in the latter case a good agreement of the results with the data generated by the UHPLC-orbitrap MS method was achieved, in the case of the analysis of non-hydrolyzed extracts, some overestimation of the results as compared with those generated by UHPLC-orbitrap MS was observed. A careful investigation of this phenomenon showed that the free aglycones originated from the conjugated forms of isoflavones in the DART ion source, thus contributing significantly to the “free” genistein/daidzein/glycitein signals during the DART analysis. Good recoveries (95–102%) and repeatabilities (RSD: 7–15%) were obtained at the spiking levels of 0.5, 1, and 0.05 g/kg, for daidzein, genistein, and glycitein, respectively. The limits of detection estimated for the respective analytes were 5 mg/kg.\n
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\n \n\n \n \n \n \n \n \n Analysis of select Dalbergia and trade timber using direct analysis in real time and time-of-flight mass spectrometry for CITES enforcement.\n \n \n \n \n\n\n \n Lancaster, C.; and Espinoza, E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1147–1156. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{lancaster_analysis_2012,\n\ttitle = {Analysis of select {Dalbergia} and trade timber using direct analysis in real time and time-of-flight mass spectrometry for {CITES} enforcement},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6215},\n\tdoi = {10.1002/rcm.6215},\n\tabstract = {RATIONALE\nInternational trade of several Dalbergia wood species is regulated by The Convention on International Trade in Endangered Species of Wild Fauna and Flora (CITES). In order to supplement morphological identification of these species, a rapid chemical method of analysis was developed. \nMETHODS\nUsing Direct Analysis in Real Time (DART) ionization coupled with Time-of-Flight (TOF) Mass Spectrometry (MS), selected Dalbergia and common trade species were analyzed. Each of the 13 wood species was classified using principal component analysis and linear discriminant analysis (LDA). These statistical data clusters served as reliable anchors for species identification of unknowns. \nRESULTS\nAnalysis of 20 or more samples from the 13 species studied in this research indicates that the DART-TOFMS results are reproducible. Statistical analysis of the most abundant ions gave good classifications that were useful for identifying unknown wood samples. \nCONCLUSIONS\nDART-TOFMS and LDA analysis of 13 species of selected timber samples and the statistical classification allowed for the correct assignment of unknown wood samples. This method is rapid and can be useful when anatomical identification is difficult but needed in order to support CITES enforcement. Published 2012. This article is a US Government work and is in the public domain in the USA.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Lancaster, Cady and Espinoza, Edgard},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1147--1156},\n}\n\n\n\n\n\n\n\n
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\n RATIONALE International trade of several Dalbergia wood species is regulated by The Convention on International Trade in Endangered Species of Wild Fauna and Flora (CITES). In order to supplement morphological identification of these species, a rapid chemical method of analysis was developed. METHODS Using Direct Analysis in Real Time (DART) ionization coupled with Time-of-Flight (TOF) Mass Spectrometry (MS), selected Dalbergia and common trade species were analyzed. Each of the 13 wood species was classified using principal component analysis and linear discriminant analysis (LDA). These statistical data clusters served as reliable anchors for species identification of unknowns. RESULTS Analysis of 20 or more samples from the 13 species studied in this research indicates that the DART-TOFMS results are reproducible. Statistical analysis of the most abundant ions gave good classifications that were useful for identifying unknown wood samples. CONCLUSIONS DART-TOFMS and LDA analysis of 13 species of selected timber samples and the statistical classification allowed for the correct assignment of unknown wood samples. This method is rapid and can be useful when anatomical identification is difficult but needed in order to support CITES enforcement. Published 2012. This article is a US Government work and is in the public domain in the USA.\n
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\n \n\n \n \n \n \n \n \n Assessing the capabilities of direct analysis in real time mass spectrometry for 5-hydroxymethylfurfural quantitation in honey.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 314(0): 22–32. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AssessingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{chernetsova_assessing_2012,\n\ttitle = {Assessing the capabilities of direct analysis in real time mass spectrometry for 5-hydroxymethylfurfural quantitation in honey},\n\tvolume = {314},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380612000280},\n\tdoi = {10.1016/j.ijms.2012.01.012},\n\tabstract = {The limitations of direct analysis in real time mass spectrometry (DART-MS) were shown with the example of 5-hydroxymethylfurfural (HMF) quantitation in honey. An accurate analyte quantitation was impossible because the carbohydrate matrix partially degraded to the analyte in the ionization region. However, at a decreased DART temperature of 150\\&\\#xa0;°C, the DART-MS screening was possible using two spiked reference samples. The influence of instrumental parameters on the composition of the DART mass spectra for HMF and carbohydrates was investigated. Also, first data on scanning surface analysis with DART-MS were obtained giving rise for further studies in this direction.},\n\tnumber = {0},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tyear = {2012},\n\tkeywords = {5-Hydroxymethylfurfural, Carbohydrates, Direct analysis in real time mass spectrometry, Direct analysis in real time mass spectrometry; Honey; 5-Hydroxymethylfurfural; HMF; Carbohydrates; Screening assays, HMF, Honey, Screening},\n\tpages = {22--32},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The limitations of direct analysis in real time mass spectrometry (DART-MS) were shown with the example of 5-hydroxymethylfurfural (HMF) quantitation in honey. An accurate analyte quantitation was impossible because the carbohydrate matrix partially degraded to the analyte in the ionization region. However, at a decreased DART temperature of 150 °C, the DART-MS screening was possible using two spiked reference samples. The influence of instrumental parameters on the composition of the DART mass spectra for HMF and carbohydrates was investigated. Also, first data on scanning surface analysis with DART-MS were obtained giving rise for further studies in this direction.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time mass spectrometry for analysis of sexual assault evidence.\n \n \n \n \n\n\n \n Musah, R. A.; Cody, R. B.; Dane, A. J.; Vuong, A. L.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1039–1046. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{musah_direct_2012,\n\ttitle = {Direct analysis in real time mass spectrometry for analysis of sexual assault evidence},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6198},\n\tdoi = {10.1002/rcm.6198},\n\tabstract = {RATIONALE\nSexual assault crimes are vastly underreported and suffer from alarmingly low prosecution and conviction rates. The key scientific method to aid in prosecution of such cases is forensic DNA analysis, where biological evidence such as semen collected using a rape test kit is used to determine a suspect's DNA profile. However, the growing awareness by criminals of the importance of DNA in the prosecution of sexual assaults has resulted in increased condom use by assailants as a means to avoid leaving behind their DNA. Thus, other types of trace evidence are important to help corroborate victims' accounts, exonerate the innocent, link suspects to the crime, or confirm penetration. \nMETHODS\nDirect Analysis in Real Time Mass Spectrometry (DART-MS) was employed for the comprehensive characterization of non-DNA trace evidence associated with sexual assault. The ambient ionization method associated with DART-MS is extremely rapid and samples are processed instantaneously, without the need for extraction, sample preparation, or other means that might compromise forensic evidence for future analyses. \nRESULTS\nIn a single assay, we demonstrated the ability to identify lubricant formulations associated with sexual assault, such as the spermicide nonoxynol-9, compounds used in condom manufacture, and numerous other trace components as probative evidence. In addition, the method can also serve to identify compounds within trace biological residues, such as fatty acids commonly identified in latent fingerprints. \nCONCLUSIONS\nCharacterization of lubricant residues as probative evidence serves to establish a connection between the victim and the perpetrator, and the availability of these details may lead to higher rates of prosecution and conviction, as well as more severe penalties. The methodology described here opens the way for the adoption of a comprehensive, rapid, and sensitive analysis for use in crime labs, while providing knowledge that can inform and guide criminal justice policy and practice. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Cody, Robert B. and Dane, A. John and Vuong, Angela L. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1039--1046},\n}\n\n\n\n
\n
\n\n\n
\n RATIONALE Sexual assault crimes are vastly underreported and suffer from alarmingly low prosecution and conviction rates. The key scientific method to aid in prosecution of such cases is forensic DNA analysis, where biological evidence such as semen collected using a rape test kit is used to determine a suspect's DNA profile. However, the growing awareness by criminals of the importance of DNA in the prosecution of sexual assaults has resulted in increased condom use by assailants as a means to avoid leaving behind their DNA. Thus, other types of trace evidence are important to help corroborate victims' accounts, exonerate the innocent, link suspects to the crime, or confirm penetration. METHODS Direct Analysis in Real Time Mass Spectrometry (DART-MS) was employed for the comprehensive characterization of non-DNA trace evidence associated with sexual assault. The ambient ionization method associated with DART-MS is extremely rapid and samples are processed instantaneously, without the need for extraction, sample preparation, or other means that might compromise forensic evidence for future analyses. RESULTS In a single assay, we demonstrated the ability to identify lubricant formulations associated with sexual assault, such as the spermicide nonoxynol-9, compounds used in condom manufacture, and numerous other trace components as probative evidence. In addition, the method can also serve to identify compounds within trace biological residues, such as fatty acids commonly identified in latent fingerprints. CONCLUSIONS Characterization of lubricant residues as probative evidence serves to establish a connection between the victim and the perpetrator, and the availability of these details may lead to higher rates of prosecution and conviction, as well as more severe penalties. The methodology described here opens the way for the adoption of a comprehensive, rapid, and sensitive analysis for use in crime labs, while providing knowledge that can inform and guide criminal justice policy and practice. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Novel approaches to analysis of 3-chloropropane-1,2-diol esters in vegetable oils.\n \n \n \n \n\n\n \n Moravcova, E.; Vaclavik, L.; Lacina, O.; Hrbek, V.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 402(9): 2871–2883. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"NovelPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{moravcova_novel_2012,\n\ttitle = {Novel approaches to analysis of 3-chloropropane-1,2-diol esters in vegetable oils},\n\tvolume = {402},\n\tissn = {1618-2642},\n\turl = {http://dx.doi.org/10.1007/s00216-012-5732-1},\n\tdoi = {10.1007/s00216-012-5732-1},\n\tabstract = {A sensitive and accurate method utilizing ultra-high performance liquid chromatography (U-HPLC) coupled to high resolution mass spectrometry based on orbitrap technology (orbitrapMS) for the analysis of nine 3-chloropropane-1,2-diol (3-MCPD) diesters in vegetable oils was developed. To remove the interfering triacylglycerols that induce strong matrix effects, a clean-up step on silica gel column was used. The quantitative analysis was performed with the use of deuterium-labeled internal standards. The lowest calibration levels estimated for the respective analytes ranged from 2 to 5 μg kg −1 . Good recovery values (89–120\\%) and repeatability (RSD 5–9\\%) was obtained at spiking levels of 2 and 10 mg kg −1 . As an alternative, a novel ambient desorption ionization technique, direct analysis in real time (DART), hyphenated with orbitrapMS, was employed for no separation, high-throughput, semi-quantitative screening of 3-MCPD diesters in samples obtained by chromatographic fractionation. Additionally, the levels of 3-MCPD diesters measured in real-life vegetable oil samples (palm oil, sunflower oil, rapeseed oil) using both methods are reported. Relatively good agreement of the data generated by U-HPLC-orbitrapMS and DART-orbitrapMS were observed. With regard to a low ionization yield achieved for 3-MCPD monoesters, the methods presented in this paper were not yet applicable for the analysis of these contaminants at the naturally occurring levels.},\n\tnumber = {9},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Moravcova, Eliska and Vaclavik, Lukas and Lacina, Ondrej and Hrbek, Vojtech and Riddellova, Katerina and Hajslova, Jana},\n\tyear = {2012},\n\tkeywords = {3-MCPD esters; Vegetable oils; U-HPLC-MS; DART-MS; orbitrap, Chemistry and Materials Science},\n\tpages = {2871--2883},\n}\n\n\n\n
\n
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\n A sensitive and accurate method utilizing ultra-high performance liquid chromatography (U-HPLC) coupled to high resolution mass spectrometry based on orbitrap technology (orbitrapMS) for the analysis of nine 3-chloropropane-1,2-diol (3-MCPD) diesters in vegetable oils was developed. To remove the interfering triacylglycerols that induce strong matrix effects, a clean-up step on silica gel column was used. The quantitative analysis was performed with the use of deuterium-labeled internal standards. The lowest calibration levels estimated for the respective analytes ranged from 2 to 5 μg kg −1 . Good recovery values (89–120%) and repeatability (RSD 5–9%) was obtained at spiking levels of 2 and 10 mg kg −1 . As an alternative, a novel ambient desorption ionization technique, direct analysis in real time (DART), hyphenated with orbitrapMS, was employed for no separation, high-throughput, semi-quantitative screening of 3-MCPD diesters in samples obtained by chromatographic fractionation. Additionally, the levels of 3-MCPD diesters measured in real-life vegetable oil samples (palm oil, sunflower oil, rapeseed oil) using both methods are reported. Relatively good agreement of the data generated by U-HPLC-orbitrapMS and DART-orbitrapMS were observed. With regard to a low ionization yield achieved for 3-MCPD monoesters, the methods presented in this paper were not yet applicable for the analysis of these contaminants at the naturally occurring levels.\n
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\n \n\n \n \n \n \n \n \n Optimization of direct analysis in real time (DART) linear ion trap parameters for the detection and quantitation of glucose.\n \n \n \n \n\n\n \n Saang'onyo, D. S.; and Smith, D. L.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(3): 385–391. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{saangonyo_optimization_2012,\n\ttitle = {Optimization of direct analysis in real time ({DART}) linear ion trap parameters for the detection and quantitation of glucose},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5316},\n\tdoi = {10.1002/rcm.5316},\n\tabstract = {Presented here are findings for the development and optimization of a simple, high-throughput, and rapid method for the analysis of glucose. Because the applications of glucose and other six-carbon sugars is a growing field of interest especially in the production of biofuels, an efficient and rapid method for their quantitation from lignocelluloses is necessary. Glucose was analyzed using direct analysis in real time (DART) ionization and formed adducts (along with fragmentation) were observed with a linear ion trap (LIT) mass spectrometer. Since DART can be considered a complex thermal desorption ionization process, an optimization study of the helium gas temperature and introduction into the ionization region was performed. It was observed these parameters have a significant effect on the overall signal intensity as well as the signal-to-noise ratios in DART mass spectra. Using these optimized parameters, a set of different glucose concentrations (ranging from 10 to 3000 μM) were analyzed and used to determine a linear dynamic range (with the use of an internal standard). The analysis of the samples was done with minimal sample preparation and found to be reproducible on different days. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {3},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Saang'onyo, Daudi S. and Smith, Darrin L.},\n\tyear = {2012},\n\tkeywords = {Ion trap},\n\tpages = {385--391},\n}\n\n\n\n
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\n Presented here are findings for the development and optimization of a simple, high-throughput, and rapid method for the analysis of glucose. Because the applications of glucose and other six-carbon sugars is a growing field of interest especially in the production of biofuels, an efficient and rapid method for their quantitation from lignocelluloses is necessary. Glucose was analyzed using direct analysis in real time (DART) ionization and formed adducts (along with fragmentation) were observed with a linear ion trap (LIT) mass spectrometer. Since DART can be considered a complex thermal desorption ionization process, an optimization study of the helium gas temperature and introduction into the ionization region was performed. It was observed these parameters have a significant effect on the overall signal intensity as well as the signal-to-noise ratios in DART mass spectra. Using these optimized parameters, a set of different glucose concentrations (ranging from 10 to 3000 μM) were analyzed and used to determine a linear dynamic range (with the use of an internal standard). The analysis of the samples was done with minimal sample preparation and found to be reproducible on different days. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Rapid classification of White Oak (Quercus alba) and Northern Red Oak (Quercus rubra) by using pyrolysis direct analysis in real time (DART™) and time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Cody, R. B.; Dane, A. J.; Dawson-Andoh, B.; Adedipe, E. O.; and Nkansah, K.\n\n\n \n\n\n\n Journal of Analytical and Applied Pyrolysis, 95(0): 134–137. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{cody_rapid_2012,\n\ttitle = {Rapid classification of {White} {Oak} ({Quercus} alba) and {Northern} {Red} {Oak} ({Quercus} rubra) by using pyrolysis direct analysis in real time ({DART}™) and time-of-flight mass spectrometry},\n\tvolume = {95},\n\tissn = {0165-2370},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0165237012000204},\n\tdoi = {10.1016/j.jaap.2012.01.018},\n\tabstract = {Thirty-four samples of Red Oak (Quercus rubra) and fifty samples of White Oak (Quercus alba) were analyzed by pyrolytic direct analysis in real time (DART) ionization coupled with time-of-flight (TOF) mass spectrometry. Although significant differences were not observed in the positive-ion mass spectra, the negative-ion mass spectra showed clear differences. Principal component analysis (PCA) and linear discriminant analysis (LDA) were calculated for the relative abundances of 11 peaks in the negative-ion mass spectra including peaks tentatively assigned as representing deprotonated acetic, malic, gallic, dimethoxycinnamic, and ellagic acids. Leave one out cross validation (LOOCV) was 100\\% successful in classifying the samples for both PCA and LDA.},\n\tnumber = {0},\n\tjournal = {Journal of Analytical and Applied Pyrolysis},\n\tauthor = {Cody, Robert B. and Dane, A. John and Dawson-Andoh, Benjamin and Adedipe, Emmanuel Oluwatosin and Nkansah, Kofi},\n\tyear = {2012},\n\tkeywords = {AccuTOF, Ambient ionization, Direct analysis in real time, Red oak, Time-of-flight, White oak},\n\tpages = {134--137},\n}\n\n\n\n\n\n\n\n
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\n Thirty-four samples of Red Oak (Quercus rubra) and fifty samples of White Oak (Quercus alba) were analyzed by pyrolytic direct analysis in real time (DART) ionization coupled with time-of-flight (TOF) mass spectrometry. Although significant differences were not observed in the positive-ion mass spectra, the negative-ion mass spectra showed clear differences. Principal component analysis (PCA) and linear discriminant analysis (LDA) were calculated for the relative abundances of 11 peaks in the negative-ion mass spectra including peaks tentatively assigned as representing deprotonated acetic, malic, gallic, dimethoxycinnamic, and ellagic acids. Leave one out cross validation (LOOCV) was 100% successful in classifying the samples for both PCA and LDA.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of synthetic cannabinoids in herbal samples via direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Musah, R. A.; Domin, M. A.; Walling, M. A.; and Shepard, J. R. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(9): 1109–1114. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{musah_rapid_2012,\n\ttitle = {Rapid identification of synthetic cannabinoids in herbal samples via direct analysis in real time mass spectrometry},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6205},\n\tdoi = {10.1002/rcm.6205},\n\tabstract = {RATIONALE\nDozens of synthetic cannabinoid analogs purposefully meant to circumvent legal restrictions associated with controlled substances continue to be manufactured and promoted as producing 'legal highs'. These designer drugs are difficult to identify in conventional drug screens not only because routine protocols have not been developed for their detection, but also because their association with complex plant matrices during manufacture generally requires labor-intensive extraction and sample preparation for analysis. To address this new and important challenge in forensic chemistry, Direct Analysis in Real Time Mass Spectrometry (DART-MS) is applied to the analysis of these designer drugs. \nMETHODS\nDART-MS was employed to sample synthetic cannabinoids directly on botanical matrices. The ambient ionization method associated with DART-MS permitted the analysis of solid herbal samples directly, without the need for extraction or sample preparation. The high mass resolution time-of-flight analyzer allowed identification of these substances despite their presence within a complex matrix and enabled differentiation of closely related analogs. \nRESULTS\nDART-MS was performed to rapidly identify the synthetic cannabinoids AM-251 and JWH-015. For each cannabinoid, three hundred micrograms (300 µg) of material was easily detected within an excess of background matrix by mass. \nCONCLUSIONS\nNew variations of herbal blends containing a wide range of base components and laced with synthetic cannabinoids are being produced, making their presence difficult to track by conventional methods. DART-MS permits rapid identification of trace synthetic cannabinoids within complex biological matrices, with excellent sensitivity and specificity compared with standard methods. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Musah, Rabi A. and Domin, Marek A. and Walling, Maureen A. and Shepard, Jason R. E.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1109--1114},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n RATIONALE Dozens of synthetic cannabinoid analogs purposefully meant to circumvent legal restrictions associated with controlled substances continue to be manufactured and promoted as producing 'legal highs'. These designer drugs are difficult to identify in conventional drug screens not only because routine protocols have not been developed for their detection, but also because their association with complex plant matrices during manufacture generally requires labor-intensive extraction and sample preparation for analysis. To address this new and important challenge in forensic chemistry, Direct Analysis in Real Time Mass Spectrometry (DART-MS) is applied to the analysis of these designer drugs. METHODS DART-MS was employed to sample synthetic cannabinoids directly on botanical matrices. The ambient ionization method associated with DART-MS permitted the analysis of solid herbal samples directly, without the need for extraction or sample preparation. The high mass resolution time-of-flight analyzer allowed identification of these substances despite their presence within a complex matrix and enabled differentiation of closely related analogs. RESULTS DART-MS was performed to rapidly identify the synthetic cannabinoids AM-251 and JWH-015. For each cannabinoid, three hundred micrograms (300 µg) of material was easily detected within an excess of background matrix by mass. CONCLUSIONS New variations of herbal blends containing a wide range of base components and laced with synthetic cannabinoids are being produced, making their presence difficult to track by conventional methods. DART-MS permits rapid identification of trace synthetic cannabinoids within complex biological matrices, with excellent sensitivity and specificity compared with standard methods. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Sensitivity “Hot Spots” in the Direct Analysis in Real Time Mass Spectrometry of Nerve Agent Simulants.\n \n \n \n \n\n\n \n Harris, G. A.; Falcone, C. E.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 23(1): 153–161. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"SensitivityPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{harris_sensitivity_2012,\n\ttitle = {Sensitivity “{Hot} {Spots}” in the {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} of {Nerve} {Agent} {Simulants}},\n\tvolume = {23},\n\tissn = {1044-0305},\n\turl = {http://dx.doi.org/10.1007/s13361-011-0276-8},\n\tdoi = {10.1007/s13361-011-0276-8},\n\tabstract = {Presented here are findings describing the spatial-dependence of sensitivity and ion suppression effects observed with direct analysis in real time (DART). Continuous liquid infusion of dimethyl methyl phosphonate (DMMP) revealed that ion yield “hot spots” did not always correspond with the highest temperature regions within the ionization space. For instance, at lower concentrations (50 and 100 μM), the highest sensitivities were in the middle of the ionization region at 200 °C where there was a shorter ion transport distance, and the heat available to thermally desorb neutrals was moderate. Conversely, at higher DMMP concentrations (500 μM), the highest ion yield was directly in front of the DART source at 200 °C where it was exposed to the highest temperature for thermal desorption. In matching experiments, differential analyte volatility was observed to play a smaller role in relative ion suppression than differences in proton affinity and the relative sampling positions of analytes. At equimolar concentrations sampled at the same position, suppression was as high as 26× between isoquinoline (proton affinity 952 kJ mol–1, boiling point 242 °C) and p-anisidine (proton affinity 900 kJ mol–1, boiling point 243 °C). This effect was exacerbated when sampling positions of the two analytes differed, reaching levels of relative suppression as high as 4543.0× ± 1406.0. To mitigate this level of relative ion suppression, sampling positions and molar ratios of the analytes were modified to create conditions in which ion suppression was negligible.},\n\tnumber = {1},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Harris, Glenn A. and Falcone, Caitlin E. and Fernández, Facundo M.},\n\tyear = {2012},\n\tkeywords = {Biomedical and Life Sciences, Direct analysis in real time (DART); Ambient MS; Ionization fundamentals; Ion suppression; Nerve agent simulants; AccuTOF},\n\tpages = {153--161},\n}\n\n\n\n
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\n Presented here are findings describing the spatial-dependence of sensitivity and ion suppression effects observed with direct analysis in real time (DART). Continuous liquid infusion of dimethyl methyl phosphonate (DMMP) revealed that ion yield “hot spots” did not always correspond with the highest temperature regions within the ionization space. For instance, at lower concentrations (50 and 100 μM), the highest sensitivities were in the middle of the ionization region at 200 °C where there was a shorter ion transport distance, and the heat available to thermally desorb neutrals was moderate. Conversely, at higher DMMP concentrations (500 μM), the highest ion yield was directly in front of the DART source at 200 °C where it was exposed to the highest temperature for thermal desorption. In matching experiments, differential analyte volatility was observed to play a smaller role in relative ion suppression than differences in proton affinity and the relative sampling positions of analytes. At equimolar concentrations sampled at the same position, suppression was as high as 26× between isoquinoline (proton affinity 952 kJ mol–1, boiling point 242 °C) and p-anisidine (proton affinity 900 kJ mol–1, boiling point 243 °C). This effect was exacerbated when sampling positions of the two analytes differed, reaching levels of relative suppression as high as 4543.0× ± 1406.0. To mitigate this level of relative ion suppression, sampling positions and molar ratios of the analytes were modified to create conditions in which ion suppression was negligible.\n
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\n \n\n \n \n \n \n \n \n Rapid qualitative analysis of phthalates added to food and nutraceutical products by direct analysis in real time/orbitrap mass spectrometry.\n \n \n \n \n\n\n \n Self, R. L.; and Wu, W.\n\n\n \n\n\n\n Food Control, 25(1): 13–16. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{self_rapid_2012,\n\ttitle = {Rapid qualitative analysis of phthalates added to food and nutraceutical products by direct analysis in real time/orbitrap mass spectrometry},\n\tvolume = {25},\n\tissn = {0956-7135},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0956713511004178},\n\tdoi = {10.1016/j.foodcont.2011.10.013},\n\tabstract = {A recent food safety issue involves the contamination of a broad range of food and nutraceutical products from Taiwan with industrial plasticizers. Among the suspected contaminants are selected phthalic acid esters, such as benzyl butyl phthalate, dibutyl phthalate, diisobutyl phthalate, di-2-ethylhexyl phthalate, di-n-octyl phthalate, diisononyl phthalate, and diisodecyl phthalate. Described in this study is an analytical method to rapidly qualitatively analyze these compounds in a wide variety of food and nutraceutical matrices suspected in this crisis. The method utilizes direct analysis in real time (DART) ionization coupled to a Thermo Exactive orbitrap mass spectrometer. The method is shown to be capable of detecting these compounds at levels greater than 1.0 μg/mL in all food products examined and 0.5 μg/mL in most of the samples tested. In the nutraceutical samples tested, the compounds were detected at levels of 50 μg/g for all samples with some detected as low as 1.0 μg/g.},\n\tnumber = {1},\n\tjournal = {Food Control},\n\tauthor = {Self, Randy L. and Wu, Wen-Hsin},\n\tyear = {2012},\n\tkeywords = {Direct analysis in real time (DART), Food safety, Orbitrap, Phthalates, Phthalates; Direct analysis in real time (DART); Orbitrap; Food safety},\n\tpages = {13--16},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n A recent food safety issue involves the contamination of a broad range of food and nutraceutical products from Taiwan with industrial plasticizers. Among the suspected contaminants are selected phthalic acid esters, such as benzyl butyl phthalate, dibutyl phthalate, diisobutyl phthalate, di-2-ethylhexyl phthalate, di-n-octyl phthalate, diisononyl phthalate, and diisodecyl phthalate. Described in this study is an analytical method to rapidly qualitatively analyze these compounds in a wide variety of food and nutraceutical matrices suspected in this crisis. The method utilizes direct analysis in real time (DART) ionization coupled to a Thermo Exactive orbitrap mass spectrometer. The method is shown to be capable of detecting these compounds at levels greater than 1.0 μg/mL in all food products examined and 0.5 μg/mL in most of the samples tested. In the nutraceutical samples tested, the compounds were detected at levels of 50 μg/g for all samples with some detected as low as 1.0 μg/g.\n
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\n \n\n \n \n \n \n \n Where is the next high? - Rapid identification of synthetic cannabinoids in \"Spice\" products.\n \n \n \n\n\n \n Huang, L.; Veltri, M.; Cody, R. B.; Dane, A. J.; Rivera, A.; Marino, M. A.; and Kim, W. J.\n\n\n \n\n\n\n Forensic Science International, submitted. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{huang_where_2012,\n\ttitle = {Where is the next high? - {Rapid} identification of synthetic cannabinoids in "{Spice}" products},\n\tvolume = {submitted},\n\tjournal = {Forensic Science International},\n\tauthor = {Huang, Ling and Veltri, Mercurio and Cody, Robert B. and Dane, A. John and Rivera, Amanda and Marino, Michael A. and Kim, Woen J.},\n\tyear = {2012},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n The Principles and Applications of An Ambient Ionization Method–Direct Analysis in Real Time (DART).\n \n \n \n\n\n \n Zhang, J.; Huo, F.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Progress in Chemistry, 24(1): 101–109. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{zhang_principles_2012,\n\ttitle = {The {Principles} and {Applications} of {An} {Ambient} {Ionization} {Method}--{Direct} {Analysis} in {Real} {Time} ({DART})},\n\tvolume = {24},\n\tabstract = {The development of ionization approach has been focused on the ambient ionization methods in the past decade. DART was first reported by Cody and coworkers in 2005 and has been widely applied in the analysis of various samples including solids, liquids or gases. Helium or nitrogen is chosen as the working gas of DART. The working gas is activated by discharge needle and subsequently heated in the heating cell for the further sample ionization. The DART technology needs minimal or no sample pretreatmentand direct analysis can be carried out by holding sample in the localization between the outlet of DART and the entrance of mass spectrometer. This review presents the development, the ionization mechanism, and the major operation parameters of DART. And the applications in direct analysis of pheromones from live drosophila, screening of counterfeit drugs, identification of ingredient of inksand other samples are summarized. In the end, the technological limitations and development trends of DART are also discussed.},\n\tnumber = {1},\n\tjournal = {Progress in Chemistry},\n\tauthor = {Zhang, Jialing and Huo, Feifeng and Zhou, Zhigui and Bai, Yu and Liu, Huwei},\n\tyear = {2012},\n\tkeywords = {review},\n\tpages = {101--109},\n}\n\n\n\n
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\n The development of ionization approach has been focused on the ambient ionization methods in the past decade. DART was first reported by Cody and coworkers in 2005 and has been widely applied in the analysis of various samples including solids, liquids or gases. Helium or nitrogen is chosen as the working gas of DART. The working gas is activated by discharge needle and subsequently heated in the heating cell for the further sample ionization. The DART technology needs minimal or no sample pretreatmentand direct analysis can be carried out by holding sample in the localization between the outlet of DART and the entrance of mass spectrometer. This review presents the development, the ionization mechanism, and the major operation parameters of DART. And the applications in direct analysis of pheromones from live drosophila, screening of counterfeit drugs, identification of ingredient of inksand other samples are summarized. In the end, the technological limitations and development trends of DART are also discussed.\n
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\n \n\n \n \n \n \n \n Confined direct analysis in real time ion source and its applications in analysis of volatile organic compounds of Citrus limon (lemon) and Allium cepa (onion).\n \n \n \n\n\n \n Li, Y.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(10): 1194–1202. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{li_confined_2012,\n\ttitle = {Confined direct analysis in real time ion source and its applications in analysis of volatile organic compounds of {Citrus} limon (lemon) and {Allium} cepa (onion)},\n\tvolume = {26},\n\tdoi = {10.1002/rcm.6217},\n\tabstract = {The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique that enables efficient ionization of gases, liquids and solids with high throughput. A major limit to its wider application in the analysis of gases is its poor detection sensitivity caused by open-air sampling. In this study, a confined interface between the DART ion source outlet and mass spectrometer sampling orifice was developed, where the plasma generated by the atmospheric pressure glow discharge collides and ionizes gas-phase molecules in a Tee-shaped flow tube instead of in open air. It leads to significant increase of collision reaction probability between high energy metastable molecules and analytes. The experimental results show that the ionization efficiency was increased at least by two orders of magnitude. This technique was then applied in the real time analysis of volatile organic compounds (VOCs) of Citrus Limon (lemon) and wounded Allium Cepa (onion). The confined DART ion source was proved to be a powerful tool for the studies of plant metabolomics.},\n\tnumber = {10},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Li, Y.},\n\tyear = {2012},\n\tkeywords = {AccuTOF},\n\tpages = {1194--1202},\n}\n\n\n\n
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\n The DART (direct analysis in real time) ion source is a novel atmospheric pressure ionization technique that enables efficient ionization of gases, liquids and solids with high throughput. A major limit to its wider application in the analysis of gases is its poor detection sensitivity caused by open-air sampling. In this study, a confined interface between the DART ion source outlet and mass spectrometer sampling orifice was developed, where the plasma generated by the atmospheric pressure glow discharge collides and ionizes gas-phase molecules in a Tee-shaped flow tube instead of in open air. It leads to significant increase of collision reaction probability between high energy metastable molecules and analytes. The experimental results show that the ionization efficiency was increased at least by two orders of magnitude. This technique was then applied in the real time analysis of volatile organic compounds (VOCs) of Citrus Limon (lemon) and wounded Allium Cepa (onion). The confined DART ion source was proved to be a powerful tool for the studies of plant metabolomics.\n
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\n \n\n \n \n \n \n \n Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization.\n \n \n \n\n\n \n He, X.; Xie, Z.; Gao, Y.; Hu, W.; Guo, L.; Jiang, L.; and Lu, Y.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 67: 64–73. 2012.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{he_mass_2012,\n\ttitle = {Mass spectrometry of solid samples in open air using combined laser ionization and ambient metastable ionization},\n\tvolume = {67},\n\tabstract = {Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {He, X.N. and Xie, Z.Q. and Gao, Y. and Hu, W. and Guo, L.B. and Jiang, L. and Lu, Y.F.},\n\tyear = {2012},\n\tkeywords = {LI-TOFMS; DART; Laser-induced plasma; LIBS; AccuTOF},\n\tpages = {64--73},\n}\n\n\n\n
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\n Mass spectrometry of solid samples in open air was carried out using combined laser ionization and metastable ionization time-of-flight mass spectrometry (LI-MI-TOFMS) in ambient environment for qualitative and semiquantitative (relative analyte information, not absolute information) analysis. Ambient metastable ionization using a direct analysis in realtime (DART) ion source was combined with laser ionization time-of-flight mass spectrometry (LI-TOFMS) to study the effects of combining metastable and laser ionization. A series of metallic samples from the National Institute of Standards and Technology (NIST 494, 495, 498, 499, and 500) and a pure carbon target were characterized using LI-TOFMS in open air. LI-MI-TOFMS was found to be superior to laser-induced breakdown spectroscopy (LIBS). Laser pulse energies between 10 and 200 mJ at the second harmonic (532 nm) of an Nd:YAG laser were applied in the experiment to obtain a high degree of ionization in plasmas. Higher laser pulse energy improves signal intensities of trace elements (such as Fe, Cr, Mn, Ni, Ca, Al, and Ag). Data were analyzed by numerically calculating relative sensitivity coefficients (RSCs) and limit of detections (LODs) from mass spectrometry (MS) and LIBS spectra. Different parameters, such as boiling point, ionization potential, RSC, LOD, and atomic weight, were shown to analyze the ionization and MS detection processes in open air.\n
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\n \n\n \n \n \n \n \n \n ID-CUBE direct analysis in real time high-resolution mass spectrometry and its capabilities in the identification of phenolic components from the green leaves of Bergenia crassifolia L.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Crawford, E. A.; Shikov, A. N.; Pozharitskaya, O. N.; Makarov, V. G.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 26(11): 1329–1337. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"ID-CUBEPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{chernetsova_id-cube_2012,\n\ttitle = {{ID}-{CUBE} direct analysis in real time high-resolution mass spectrometry and its capabilities in the identification of phenolic components from the green leaves of {Bergenia} crassifolia {L}.},\n\tvolume = {26},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.6226},\n\tdoi = {10.1002/rcm.6226},\n\tabstract = {RATIONALE\nBergenia crassifolia is a plant widely used in herbal medicine. Its chemical composition has been little studied, and no studies using high-resolution mass spectrometry (HRMS) have been performed. Its phenolic components are of particular interest, due to the interest in such compounds in medicine and cosmetics. The ID-CUBE, a simplified Direct Analysis in Real Time (DART) ion source, suitable for the fast MS analysis of liquids without complex sample preparation, offers a new method of studying extracts of such plant. Coupling the ID-CUBE with a high-resolution mass spectrometer can provide identification of extract components. \nMETHODS\nMass spectral conditions were optimized for model solutions of the flavonoid naringenin and used for the identification of phenolic compounds in green leaves extracts of Bergenia crassifolia. OpenSpot sample cards with a metal grid surface were used for sample introduction into the ID-CUBE ion source on an Obitrap mass spectrometer. The samples were applied as 5-μL aliquots of the extract onto the metal grid of the card. Sample ionization was stimulated in the ion source within 20 s by applying an electric current to the metal grid to thermally desorb the analytes into the gas flow of metastable helium atoms from the ID-CUBE. \nRESULTS\nElemental compositions were assigned to abundant ions in the mass spectra of the extracts. The major phenolic components were confirmed by their [M–H]– ions. Thirty-six other marker ions were found, and elemental compositions were suggested for 30\\% of them, based on a search for compounds found in herbal extracts. \nCONCLUSIONS\nThe ID-CUBE–Orbitrap MS coupling allowed the rapid accurate mass determination of the phenolic components (and other compounds) in herbal extracts. Higher confidence in component identification could be provided by using additional structural elucidation methods, including tandem mass spectrometry (MS/MS), and this will be the focus of future studies. Copyright © 2012 John Wiley \\& Sons, Ltd.},\n\tnumber = {11},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Crawford, Elizabeth A. and Shikov, Alexander N. and Pozharitskaya, Olga N. and Makarov, Valery G. and Morlock, Gertrud E.},\n\tyear = {2012},\n\tpages = {1329--1337},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n RATIONALE Bergenia crassifolia is a plant widely used in herbal medicine. Its chemical composition has been little studied, and no studies using high-resolution mass spectrometry (HRMS) have been performed. Its phenolic components are of particular interest, due to the interest in such compounds in medicine and cosmetics. The ID-CUBE, a simplified Direct Analysis in Real Time (DART) ion source, suitable for the fast MS analysis of liquids without complex sample preparation, offers a new method of studying extracts of such plant. Coupling the ID-CUBE with a high-resolution mass spectrometer can provide identification of extract components. METHODS Mass spectral conditions were optimized for model solutions of the flavonoid naringenin and used for the identification of phenolic compounds in green leaves extracts of Bergenia crassifolia. OpenSpot sample cards with a metal grid surface were used for sample introduction into the ID-CUBE ion source on an Obitrap mass spectrometer. The samples were applied as 5-μL aliquots of the extract onto the metal grid of the card. Sample ionization was stimulated in the ion source within 20 s by applying an electric current to the metal grid to thermally desorb the analytes into the gas flow of metastable helium atoms from the ID-CUBE. RESULTS Elemental compositions were assigned to abundant ions in the mass spectra of the extracts. The major phenolic components were confirmed by their [M–H]– ions. Thirty-six other marker ions were found, and elemental compositions were suggested for 30% of them, based on a search for compounds found in herbal extracts. CONCLUSIONS The ID-CUBE–Orbitrap MS coupling allowed the rapid accurate mass determination of the phenolic components (and other compounds) in herbal extracts. Higher confidence in component identification could be provided by using additional structural elucidation methods, including tandem mass spectrometry (MS/MS), and this will be the focus of future studies. Copyright © 2012 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Ambient Ionization–Accurate Mass Spectrometry (AMI-AMS) for the Identification of Nonvisible Set-off in Food-Contact Materials.\n \n \n \n \n\n\n \n Bentayeb, K.; Ackerman, L. K.; and Begley, T. H.\n\n\n \n\n\n\n J. Agric. Food Chem., 60(8): 1914–1920. 2012.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{bentayeb_ambient_2012,\n\ttitle = {Ambient {Ionization}–{Accurate} {Mass} {Spectrometry} ({AMI}-{AMS}) for the {Identification} of {Nonvisible} {Set}-off in {Food}-{Contact} {Materials}},\n\tvolume = {60},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf204456z},\n\tdoi = {10.1021/jf204456z},\n\tabstract = {Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.\nSet-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.},\n\tnumber = {8},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Bentayeb, Karim and Ackerman, Luke K. and Begley, Timothy H.},\n\tyear = {2012},\n\tpages = {1914--1920},\n}\n\n\n\n\n\n\n\n\n
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\n Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging. Set-off is the unintentional transfer of substances used in printing from the external printed surface of food packaging to the inner, food-contact surface. Ambient ionization?accurate mass spectrometry (AMI-AMS) detected and identified compounds from print set-off not visible to the human eye. AMI mass spectra from inner and outer surfaces of printed and nonprinted food packaging were compared to detect and identify nonvisible set-off components. A protocol to identify unknowns was developed using a custom open-source database of printing inks and food-packaging compounds. The protocol matched print-related food-contact surface ions with the molecular formulas of common ions, isotopes, and fragments of compounds from the database. AMI-AMS was able to detect print set-off and identify seven different compounds. Set-off on the packaging samples was confirmed using gas chromatographic?mass spectrometric (GC-MS) analysis of single-sided solvent extracts. N-Ethyl-2(and 4)-methylbenzenesulfonamide, 2,4-diphenyl-4-methyl-1(and 2)-pentene, and 2,4,7,9-tetramethyl-5-decyne-4,7-diol were present on the food-contact layer at concentrations from 0.21 to 2.7 ± 1.6 ?g dm?2, corresponding to nearly milligram per kilogram concentrations in the packaged food. Other minor set-off compounds were detected only by AMI-AMS, a fast, simple, and thorough technique to detect and identify set-off in food packaging.\n
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\n  \n 2011\n \n \n (469)\n \n \n
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\n \n\n \n \n \n \n \n \n Evaluation of direct analysis in real time mass spectrometry for onsite monitoring of batch slurry reactions.\n \n \n \n \n\n\n \n Cho, D. S.; Gibson, S. C.; Bhandari, D.; McNally, M. E.; Hoffman, R. M.; Cook, K. D.; and Song, L.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(23): 3575–3580. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cho_evaluation_2011,\n\ttitle = {Evaluation of direct analysis in real time mass spectrometry for onsite monitoring of batch slurry reactions},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5269},\n\tdoi = {10.1002/rcm.5269},\n\tabstract = {Batch slurry reactions are widely used in the industrial manufacturing of chemicals, pharmaceuticals, petrochemicals and polymers. However, onsite monitoring of batch slurry reactions is still not feasible in production plants due to the challenge in analyzing heterogeneous samples without complicated sample preparation procedures. In this study, direct analysis in real time mass spectrometry (DART-MS) has been evaluated for the onsite monitoring of a model batch slurry reaction. The results suggested that automation of the sampling process of DART-MS is important to achieve quantitative results. With a sampling technique of manual sample deposition on melting point capillaries followed by automatic sample introduction across the helium beam, relative standard deviation (RSD) of the protonated molecule signals from the reaction product of the model batch slurry reaction ranged from 6 to 30\\%. This RSD range is improved greatly over a sampling technique of manual sample deposition followed by manual sample introduction where the RSDs are up to 110\\%. Furthermore, with the semi-automated sampling approach, semi-quantitative analysis of slurry samples has been achieved. Better quantification is expected with a fully automated sampling approach. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {23},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Cho, David S. and Gibson, Stephen C. and Bhandari, Deepak and McNally, Mary Ellen and Hoffman, Ron M. and Cook, Kelsey D. and Song, Liguo},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {3575--3580},\n}\n\n\n\n
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\n Batch slurry reactions are widely used in the industrial manufacturing of chemicals, pharmaceuticals, petrochemicals and polymers. However, onsite monitoring of batch slurry reactions is still not feasible in production plants due to the challenge in analyzing heterogeneous samples without complicated sample preparation procedures. In this study, direct analysis in real time mass spectrometry (DART-MS) has been evaluated for the onsite monitoring of a model batch slurry reaction. The results suggested that automation of the sampling process of DART-MS is important to achieve quantitative results. With a sampling technique of manual sample deposition on melting point capillaries followed by automatic sample introduction across the helium beam, relative standard deviation (RSD) of the protonated molecule signals from the reaction product of the model batch slurry reaction ranged from 6 to 30%. This RSD range is improved greatly over a sampling technique of manual sample deposition followed by manual sample introduction where the RSDs are up to 110%. Furthermore, with the semi-automated sampling approach, semi-quantitative analysis of slurry samples has been achieved. Better quantification is expected with a fully automated sampling approach. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Detection of illicit drugs on surfaces using direct analysis in real time (DART) time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Grange, A. H.; and Sovocool, G. W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(9): 1271–1281. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{grange_detection_2011,\n\ttitle = {Detection of illicit drugs on surfaces using direct analysis in real time ({DART}) time-of-flight mass spectrometry},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5009},\n\tdoi = {10.1002/rcm.5009},\n\tabstract = {Methamphetamine (meth) from meth syntheses or habitual meth smoking deposited on household surfaces poses human health hazards. The U.S. State Departments of Health require decontamination of sites where meth was synthesized (meth labs) before they are sold. National Institute for Occupational Safety and Health (NIOSH) methods for meth analysis require wipe sampling, extraction, clean-up, solvent exchange, derivatization, and/or mass spectral analysis using selected ion monitoring. Rapid and inexpensive analyses could screen for drug-contamination within structures with greater spatial resolution, provide real-time analyses during decontamination, and provide thorough documentation of successful clean ups. Herein an autosampler/open-air ion source time-of-flight mass spectrometric technique is described that required only direct sampling using cotton-swab wipes. Each wipe sample collection required 2 min and data acquisition required only 13 s per sample. Optimum collision-induced dissociation voltages, desorption gas temperatures, and wipe sample solvents were determined for 11 drugs. Peaks were observed in analyte-ion traces for 0.025 µg/100 cm2 of meth and seven other drugs. This level is half the detection limit of NIOSH methods and one-fourth of the lowest U.S. state decontamination limit for meth. Dynamic ranges of 100 in concentration were demonstrated for eight drugs, which is sufficient for a screening technique. The volatilities of 11 drugs deposited on glass were determined. The pick up of the drugs by solvent-soaked cotton-swab wipes from glass relative to acrylic latex paint was also compared. Published in 2011 by John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H. and Sovocool, G. Wayne},\n\tyear = {2011},\n\tpages = {1271--1281},\n}\n\n\n\n
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\n Methamphetamine (meth) from meth syntheses or habitual meth smoking deposited on household surfaces poses human health hazards. The U.S. State Departments of Health require decontamination of sites where meth was synthesized (meth labs) before they are sold. National Institute for Occupational Safety and Health (NIOSH) methods for meth analysis require wipe sampling, extraction, clean-up, solvent exchange, derivatization, and/or mass spectral analysis using selected ion monitoring. Rapid and inexpensive analyses could screen for drug-contamination within structures with greater spatial resolution, provide real-time analyses during decontamination, and provide thorough documentation of successful clean ups. Herein an autosampler/open-air ion source time-of-flight mass spectrometric technique is described that required only direct sampling using cotton-swab wipes. Each wipe sample collection required 2 min and data acquisition required only 13 s per sample. Optimum collision-induced dissociation voltages, desorption gas temperatures, and wipe sample solvents were determined for 11 drugs. Peaks were observed in analyte-ion traces for 0.025 µg/100 cm2 of meth and seven other drugs. This level is half the detection limit of NIOSH methods and one-fourth of the lowest U.S. state decontamination limit for meth. Dynamic ranges of 100 in concentration were demonstrated for eight drugs, which is sufficient for a screening technique. The volatilities of 11 drugs deposited on glass were determined. The pick up of the drugs by solvent-soaked cotton-swab wipes from glass relative to acrylic latex paint was also compared. Published in 2011 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Coupled to Multiplexed Drift Tube Ion Mobility Spectrometry for Detecting Toxic Chemicals.\n \n \n \n \n\n\n \n Harris, G. A.; Kwasnik, M.; and Fernández, F. M.\n\n\n \n\n\n\n Anal. Chem., 83(6): 1908–1915. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{harris_direct_2011,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Coupled} to {Multiplexed} {Drift} {Tube} {Ion} {Mobility} {Spectrometry} for {Detecting} {Toxic} {Chemicals}},\n\tvolume = {83},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac102246h},\n\tdoi = {10.1021/ac102246h},\n\tabstract = {Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95\\% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81\\% v/v for DMMP, 1.13\\% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28\\% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.\nCurrent and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95\\% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81\\% v/v for DMMP, 1.13\\% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28\\% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.},\n\tnumber = {6},\n\tjournal = {Anal. Chem.},\n\tauthor = {Harris, Glenn A. and Kwasnik, Mark and Fernández, Facundo M.},\n\tyear = {2011},\n\tpages = {1908--1915},\n}\n\n\n\n
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\n Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81% v/v for DMMP, 1.13% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections. Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81% v/v for DMMP, 1.13% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.\n
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\n \n\n \n \n \n \n \n \n Principal component directed partial least squares analysis for combining nuclear magnetic resonance and mass spectrometry data in metabolomics: Application to the detection of breast cancer.\n \n \n \n \n\n\n \n Gu, H.; Pan, Z.; Xi, B.; Asiago, V.; Musselman, B.; and Raftery, D.\n\n\n \n\n\n\n Analytica Chimica Acta, 686(1–2): 57–63. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PrincipalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{gu_principal_2011,\n\ttitle = {Principal component directed partial least squares analysis for combining nuclear magnetic resonance and mass spectrometry data in metabolomics: {Application} to the detection of breast cancer},\n\tvolume = {686},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267010014558},\n\tdoi = {10.1016/j.aca.2010.11.040},\n\tabstract = {Nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) are the two most commonly used analytical tools in metabolomics, and their complementary nature makes the combination particularly attractive. A combined analytical approach can improve the potential for providing reliable methods to detect metabolic profile alterations in biofluids or tissues caused by disease, toxicity, etc. In this paper, 1H NMR spectroscopy and direct analysis in real time (DART)-MS were used for the metabolomics analysis of serum samples from breast cancer patients and healthy controls. Principal component analysis (PCA) of the NMR data showed that the first principal component (PC1) scores could be used to separate cancer from normal samples. However, no such obvious clustering could be observed in the PCA score plot of DART-MS data, even though DART-MS can provide a rich and informative metabolic profile. Using a modified multivariate statistical approach, the DART-MS data were then reevaluated by orthogonal signal correction (OSC) pretreated partial least squares (PLS), in which the Y matrix in the regression was set to the PC1 score values from the NMR data analysis. This approach, and a similar one using the first latent variable from PLS-DA of the NMR data resulted in a significant improvement of the separation between the disease samples and normals, and a metabolic profile related to breast cancer could be extracted from DART-MS. The new approach allows the disease classification to be expressed on a continuum as opposed to a binary scale and thus better represents the disease and healthy classifications. An improved metabolic profile obtained by combining MS and NMR by this approach may be useful to achieve more accurate disease detection and gain more insight regarding disease mechanisms and biology.},\n\tnumber = {1–2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Gu, Haiwei and Pan, Zhengzheng and Xi, Bowei and Asiago, Vincent and Musselman, Brian and Raftery, Daniel},\n\tyear = {2011},\n\tkeywords = {Breast cancer, Direct analysis in real time, Human serum, Nuclear magnetic resonance, Orthogonal signal correction, Partial least squares, mass spectrometry, metabolomics},\n\tpages = {57--63},\n}\n\n\n\n
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\n Nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) are the two most commonly used analytical tools in metabolomics, and their complementary nature makes the combination particularly attractive. A combined analytical approach can improve the potential for providing reliable methods to detect metabolic profile alterations in biofluids or tissues caused by disease, toxicity, etc. In this paper, 1H NMR spectroscopy and direct analysis in real time (DART)-MS were used for the metabolomics analysis of serum samples from breast cancer patients and healthy controls. Principal component analysis (PCA) of the NMR data showed that the first principal component (PC1) scores could be used to separate cancer from normal samples. However, no such obvious clustering could be observed in the PCA score plot of DART-MS data, even though DART-MS can provide a rich and informative metabolic profile. Using a modified multivariate statistical approach, the DART-MS data were then reevaluated by orthogonal signal correction (OSC) pretreated partial least squares (PLS), in which the Y matrix in the regression was set to the PC1 score values from the NMR data analysis. This approach, and a similar one using the first latent variable from PLS-DA of the NMR data resulted in a significant improvement of the separation between the disease samples and normals, and a metabolic profile related to breast cancer could be extracted from DART-MS. The new approach allows the disease classification to be expressed on a continuum as opposed to a binary scale and thus better represents the disease and healthy classifications. An improved metabolic profile obtained by combining MS and NMR by this approach may be useful to achieve more accurate disease detection and gain more insight regarding disease mechanisms and biology.\n
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\n \n\n \n \n \n \n \n Comparison of dielectric barrier discharge, atmospheric pressure radiofrequency-driven glow discharge and direct analysis in real time sources for ambient mass spectrometry of acetaminophen.\n \n \n \n\n\n \n Kratzera, J.; Mester, Z.; and Sturgeon, R. E.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 66(8): 594–603. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kratzera_comparison_2011,\n\ttitle = {Comparison of dielectric barrier discharge, atmospheric pressure radiofrequency-driven glow discharge and direct analysis in real time sources for ambient mass spectrometry of acetaminophen},\n\tvolume = {66},\n\tabstract = {Three plasma-based ambient pressure ion sources were investigated; laboratory constructed dielectric barrier and rf glow discharges, as well as a commercial corona discharge (DART source). All were used to desorb and ionize a model analyte, providing sampling techniques for ambient mass spectrometry (MS). Experimental parameters were optimized to achive highest signal for acetaminophen as the analyte. Insight into the mechanisms of analyte desorption and ionization was obtained by means of emission spectrometry and ion current measurements. Desorption and ionization mechanisms for this analyte appear to be identical for all three plasma sources. Emission spectra differ only in the intensities of various lines and bands. Desorption of solid analyte requires transfer of thermal energy from the plasma source to sample surface, in the absence of which complete loss of MS response occurs. For acetaminophen, helium was the best plasma gas, providing 100- to 1000-fold higher analyte response than with argon or nitrogen. The same trend was also evident with background ions (protonated water clusters). MS analyte signal intensity correlates with the ion density (expressed as ion current) in the plasma plume and with emission intensity from excited state species in the plasma. These observations support an ionization process which occurs via proton transfer from protonated water clusters to analyte molecules.},\n\tnumber = {8},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {Kratzera, Jan and Mester, Zoltán and Sturgeon, Ralph E.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time (DART); Dielectric barrier discharge (DBD); Atmospheric pressure rf glow discharge (APGD); Ambient mass spectrometry (AMS); Acetaminophen},\n\tpages = {594--603},\n}\n\n\n\n
\n
\n\n\n
\n Three plasma-based ambient pressure ion sources were investigated; laboratory constructed dielectric barrier and rf glow discharges, as well as a commercial corona discharge (DART source). All were used to desorb and ionize a model analyte, providing sampling techniques for ambient mass spectrometry (MS). Experimental parameters were optimized to achive highest signal for acetaminophen as the analyte. Insight into the mechanisms of analyte desorption and ionization was obtained by means of emission spectrometry and ion current measurements. Desorption and ionization mechanisms for this analyte appear to be identical for all three plasma sources. Emission spectra differ only in the intensities of various lines and bands. Desorption of solid analyte requires transfer of thermal energy from the plasma source to sample surface, in the absence of which complete loss of MS response occurs. For acetaminophen, helium was the best plasma gas, providing 100- to 1000-fold higher analyte response than with argon or nitrogen. The same trend was also evident with background ions (protonated water clusters). MS analyte signal intensity correlates with the ion density (expressed as ion current) in the plasma plume and with emission intensity from excited state species in the plasma. These observations support an ionization process which occurs via proton transfer from protonated water clusters to analyte molecules.\n
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\n \n\n \n \n \n \n \n \n Current mass spectrometry strategies for the analysis of pesticides and their metabolites in food and water matrices.\n \n \n \n \n\n\n \n Botitsi, H. V.; Garbis, S. D.; Economou, A.; and Tsipi, D. F.\n\n\n \n\n\n\n Mass Spectrometry Reviews, 30(5): 907–939. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"CurrentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{botitsi_current_2011,\n\ttitle = {Current mass spectrometry strategies for the analysis of pesticides and their metabolites in food and water matrices},\n\tvolume = {30},\n\tissn = {1098-2787},\n\turl = {http://dx.doi.org/10.1002/mas.20307},\n\tdoi = {10.1002/mas.20307},\n\tabstract = {Analysis of pesticides and their metabolites in food and water matrices continues to be an active research area closely related to food safety and environmental issues. This review discusses the most widely applied mass spectrometric (MS) approaches to pesticide residues analysis over the last few years. The main techniques for sample preparation remain solvent extraction and solid-phase extraction. The QuEChERS (Quick, Easy, Cheap, Effective, Rugged, Safe) approach is being increasingly used for the development of multi-class pesticide residues methods in various sample matrices. MS detectors—triple quadrupole (QqQ), ion-trap (IT), quadrupole linear ion trap (QqLIT), time-of-flight (TOF), and quadrupole time-of-flight (QqTOF)—have been established as powerful analytical tools sharing a primary role in the detection/quantification and/or identification/confirmation of pesticides and their metabolites. Recent developments in analytical instrumentation have enabled coupling of ultra-performance liquid chromatography (UPLC) and fast gas chromatography (GC) with MS detectors, and faster analysis for a greater number of pesticides. The newly developed “ambient-ionization” MS techniques (e.g., desorption electrospray ionization, DESI, and direct analysis in real time, DART) hyphenated with high-resolution MS platforms without liquid chromatography separation, and sometimes with minimum pre-treatment, have shown potential for pesticide residue screening. The recently introduced Orbitrap mass spectrometers can provide high resolving power and mass accuracy, to tackle complex analytical problems involved in pesticide residue analysis. © 2010 Wiley Periodicals, Inc., Mass Spec Rev 30:907–939, 2011},\n\tnumber = {5},\n\tjournal = {Mass Spectrometry Reviews},\n\tauthor = {Botitsi, Helen V. and Garbis, Spiros D. and Economou, Anastasios and Tsipi, Despina F.},\n\tyear = {2011},\n\tkeywords = {food and water, liquid and gas chromatography, mass spectrometry, pesticides},\n\tpages = {907--939},\n}\n\n\n\n
\n
\n\n\n
\n Analysis of pesticides and their metabolites in food and water matrices continues to be an active research area closely related to food safety and environmental issues. This review discusses the most widely applied mass spectrometric (MS) approaches to pesticide residues analysis over the last few years. The main techniques for sample preparation remain solvent extraction and solid-phase extraction. The QuEChERS (Quick, Easy, Cheap, Effective, Rugged, Safe) approach is being increasingly used for the development of multi-class pesticide residues methods in various sample matrices. MS detectors—triple quadrupole (QqQ), ion-trap (IT), quadrupole linear ion trap (QqLIT), time-of-flight (TOF), and quadrupole time-of-flight (QqTOF)—have been established as powerful analytical tools sharing a primary role in the detection/quantification and/or identification/confirmation of pesticides and their metabolites. Recent developments in analytical instrumentation have enabled coupling of ultra-performance liquid chromatography (UPLC) and fast gas chromatography (GC) with MS detectors, and faster analysis for a greater number of pesticides. The newly developed “ambient-ionization” MS techniques (e.g., desorption electrospray ionization, DESI, and direct analysis in real time, DART) hyphenated with high-resolution MS platforms without liquid chromatography separation, and sometimes with minimum pre-treatment, have shown potential for pesticide residue screening. The recently introduced Orbitrap mass spectrometers can provide high resolving power and mass accuracy, to tackle complex analytical problems involved in pesticide residue analysis. © 2010 Wiley Periodicals, Inc., Mass Spec Rev 30:907–939, 2011\n
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\n \n\n \n \n \n \n \n \n Epiafzelechin from the Root Bark of Cassia sieberiana: Detection by DART Mass Spectrometry, Spectroscopic Characterization, and Antioxidant Properties.\n \n \n \n \n\n\n \n Kpegba, K.; Agbonon, A.; Petrovic, A. G.; Amouzou, E.; Gbeassor, M.; Proni, G.; and Nesnas, N.\n\n\n \n\n\n\n Journal of Natural Products, 74(3): 455–459. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"EpiafzelechinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kpegba_epiafzelechin_2011,\n\ttitle = {Epiafzelechin from the {Root} {Bark} of {Cassia} sieberiana: {Detection} by {DART} {Mass} {Spectrometry}, {Spectroscopic} {Characterization}, and {Antioxidant} {Properties}},\n\tvolume = {74},\n\tissn = {0163-3864, 1520-6025},\n\tshorttitle = {Epiafzelechin from the {Root} {Bark} of {Cassia} sieberiana},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/np100090e},\n\tdoi = {10.1021/np100090e},\n\tabstract = {The root bark of Cassia sieberiana was analyzed using direct analysis in real time mass spectrometry, and a main flavonoid component with an [M + H]+ mass of 275 was identified. The flavonoid, epiafzelechin, was isolated and fully characterized with the concerted use of NMR spectroscopy, circular dichroism, and optical rotation. Electronic circular dichroism and optical rotation TDDFT calculations were also performed, and their agreement with the experimental results confirmed the enantiomeric identity of the isolated natural product. The antioxidant activity of the compound was also investigated.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Journal of Natural Products},\n\tauthor = {Kpegba, Kafui and Agbonon, Amegnona and Petrovic, Ana G. and Amouzou, Etchri and Gbeassor, Messanvi and Proni, Gloria and Nesnas, Nasri},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {455--459},\n}\n\n\n\n
\n
\n\n\n
\n The root bark of Cassia sieberiana was analyzed using direct analysis in real time mass spectrometry, and a main flavonoid component with an [M + H]+ mass of 275 was identified. The flavonoid, epiafzelechin, was isolated and fully characterized with the concerted use of NMR spectroscopy, circular dichroism, and optical rotation. Electronic circular dichroism and optical rotation TDDFT calculations were also performed, and their agreement with the experimental results confirmed the enantiomeric identity of the isolated natural product. The antioxidant activity of the compound was also investigated.\n
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\n \n\n \n \n \n \n \n Structural Elucidation of Direct Analysis in Real Time Ionized Nerve Agent Simulants with Infrared Multiple Photon Dissociation Spectroscopy.\n \n \n \n\n\n \n Rummel, J. L.; Steill, J. D.; Oomens, J.; Contreras, C. S.; Pearson, W. L.; Szczepanski, J.; Powell, D. H.; and Eyler, J. R.\n\n\n \n\n\n\n Analytical Chemistry, 83(11): 4045–4052. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rummel_structural_2011,\n\ttitle = {Structural {Elucidation} of {Direct} {Analysis} in {Real} {Time} {Ionized} {Nerve} {Agent} {Simulants} with {Infrared} {Multiple} {Photon} {Dissociation} {Spectroscopy}},\n\tvolume = {83},\n\tdoi = {10.1021/ac102973a},\n\tabstract = {Infrared multiple photon dissociation (IRMPD) was used to generate vibrational spectra of ions produced with a direct analysis in real time (DART) ionization source coupled to a 4.7 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The location of protonation on the nerve agent simulants diisopropyl methylphosphonate (DIMP) and dimethyl methylphosphonate (DMMP) was studied while solutions of the compounds were introduced for extended periods of time with a syringe pump. Theoretical vibrational spectra were generated with density functional theory calculations. Visual comparison of experimental mid-IR IRMPD spectra and theoretical spectra could not establish definitively if a single structure or a mixture of conformations was present for the protonated parent of each compound. However, theoretical calculations, near-ir IRMPD spectra, and frequency-to-frequency and statistical comparisons indicated that the protonation site for both DIMP and DMMP was predominantly, if not exclusively, the phosphonyl oxygen instead of one of the oxygen atoms with only single bonds.},\n\tnumber = {11},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Rummel, Julia L. and Steill, Jeffrey D. and Oomens, Jos and Contreras, Cesar S. and Pearson, Wright L. and Szczepanski, Jan and Powell, David H. and Eyler, John R.},\n\tyear = {2011},\n\tkeywords = {DART, FT-ICR, nerve agents},\n\tpages = {4045--4052},\n}\n\n\n\n
\n
\n\n\n
\n Infrared multiple photon dissociation (IRMPD) was used to generate vibrational spectra of ions produced with a direct analysis in real time (DART) ionization source coupled to a 4.7 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The location of protonation on the nerve agent simulants diisopropyl methylphosphonate (DIMP) and dimethyl methylphosphonate (DMMP) was studied while solutions of the compounds were introduced for extended periods of time with a syringe pump. Theoretical vibrational spectra were generated with density functional theory calculations. Visual comparison of experimental mid-IR IRMPD spectra and theoretical spectra could not establish definitively if a single structure or a mixture of conformations was present for the protonated parent of each compound. However, theoretical calculations, near-ir IRMPD spectra, and frequency-to-frequency and statistical comparisons indicated that the protonation site for both DIMP and DMMP was predominantly, if not exclusively, the phosphonyl oxygen instead of one of the oxygen atoms with only single bonds.\n
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\n \n\n \n \n \n \n \n \n Simplified and rapid determination of polychlorinated biphenyls, polybrominated diphenyl ethers, and polycyclic aromatic hydrocarbons in fish and shrimps integrated into a single method.\n \n \n \n \n\n\n \n Kalachova, K.; Pulkrabova, J.; Drabova, L.; Cajka, T.; Kocourek, V.; and Hajslova, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 707(1–2): 84–91. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SimplifiedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kalachova_simplified_2011,\n\ttitle = {Simplified and rapid determination of polychlorinated biphenyls, polybrominated diphenyl ethers, and polycyclic aromatic hydrocarbons in fish and shrimps integrated into a single method},\n\tvolume = {707},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267011012347},\n\tdoi = {10.1016/j.aca.2011.09.016},\n\tabstract = {In this study, a new rapid and flexible method for the simultaneous determination of 18 key representatives of polychlorinated biphenyls (PCBs), 7 polybrominated diphenyl ethers (PBDEs), and 32 polycyclic aromatic hydrocarbons (PAHs) in fish and shrimps by gas chromatography coupled to mass spectrometry (GC–MS) was developed and validated. A substantial simplification of sample processing prior to quantification step was achieved: after addition of water to homogenized sample, transfer of hydrophobic analytes into ethyl acetate was supported by added inorganic salts. Bulk fat, contained in crude organic extract obtained by partition, was subsequently removed on a silica minicolumn. This approach enabled to process six samples in less than 1\\&\\#xa0;h; moreover, the volume of an extraction solvent and consumption of other chemicals can be significantly reduced compared to, e.g., traditional Soxhlet extraction followed by gel permeation chromatography. The recoveries of target analytes were in the range of 73–120\\% even at the lowest spiking level (1\\&\\#xa0;μg\\&\\#xa0;kg−1), repeatabilities (relative standard deviations, RSDs) ranged from 1 to 20\\%. Under optimized GC–MS conditions (time-of-flight mass analyzer, TOF), the limits of quantification (LOQs) were as follows: PCBs 0.1–0.5\\&\\#xa0;μg\\&\\#xa0;kg−1, PBDEs 0.5\\&\\#xa0;μg\\&\\#xa0;kg−1, and PAHs 0.05–0.25\\&\\#xa0;μg\\&\\#xa0;kg−1. Ambient mass spectrometry employing a direct analysis in real time (DART) ion source was shown as an effective tool for fat control in extract, which is needed during the method development and examination of unknown samples prior to the analysis. Further extension of a method scope by other similar analytes is easily possible.},\n\tnumber = {1–2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Kalachova, Kamila and Pulkrabova, Jana and Drabova, Lucie and Cajka, Tomas and Kocourek, Vladimir and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {DART, Fish, Fish; Shrimps; PCB; PBDE; PAH; GC–TOFMS; DART; AccuTOF, GC–TOFMS, PAH, PBDE, PCB, Shrimps},\n\tpages = {84--91},\n}\n\n\n\n
\n
\n\n\n
\n In this study, a new rapid and flexible method for the simultaneous determination of 18 key representatives of polychlorinated biphenyls (PCBs), 7 polybrominated diphenyl ethers (PBDEs), and 32 polycyclic aromatic hydrocarbons (PAHs) in fish and shrimps by gas chromatography coupled to mass spectrometry (GC–MS) was developed and validated. A substantial simplification of sample processing prior to quantification step was achieved: after addition of water to homogenized sample, transfer of hydrophobic analytes into ethyl acetate was supported by added inorganic salts. Bulk fat, contained in crude organic extract obtained by partition, was subsequently removed on a silica minicolumn. This approach enabled to process six samples in less than 1 h; moreover, the volume of an extraction solvent and consumption of other chemicals can be significantly reduced compared to, e.g., traditional Soxhlet extraction followed by gel permeation chromatography. The recoveries of target analytes were in the range of 73–120% even at the lowest spiking level (1 μg kg−1), repeatabilities (relative standard deviations, RSDs) ranged from 1 to 20%. Under optimized GC–MS conditions (time-of-flight mass analyzer, TOF), the limits of quantification (LOQs) were as follows: PCBs 0.1–0.5 μg kg−1, PBDEs 0.5 μg kg−1, and PAHs 0.05–0.25 μg kg−1. Ambient mass spectrometry employing a direct analysis in real time (DART) ion source was shown as an effective tool for fat control in extract, which is needed during the method development and examination of unknown samples prior to the analysis. Further extension of a method scope by other similar analytes is easily possible.\n
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\n \n\n \n \n \n \n \n \n Fast identification of phthalic acid esters in poly(vinyl chloride) samples by Direct Analysis In Real Time (DART) tandem mass spectrometry.\n \n \n \n \n\n\n \n Kuki, Á.; Nagy, L.; Zsuga, M.; and Kéki, S.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 303(2–3): 225–228. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"FastPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{kuki_fast_2011,\n\ttitle = {Fast identification of phthalic acid esters in poly(vinyl chloride) samples by {Direct} {Analysis} {In} {Real} {Time} ({DART}) tandem mass spectrometry},\n\tvolume = {303},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380611000698},\n\tdoi = {10.1016/j.ijms.2011.02.011},\n\tabstract = {It was found that the collision energy/voltage necessary to obtain 50\\% fragmentation (CV50) was linearly dependent on the molecular weight of phthalic acid esters (PAEs). Based on this observation a fast screening technique for the detection of PAEs in poly vinyl chloride (PVC) samples was developed using Direct Analysis in Real Time (DART) ionization tandem mass spectrometry. Based on this observation an automated data acquisition method, including mass-dependent tuning of the collision energy/voltage in DART-MS/MS, was developed thereby reducing the analysis time.},\n\tnumber = {2–3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Kuki, Ákos and Nagy, Lajos and Zsuga, Miklós and Kéki, Sándor},\n\tyear = {2011},\n\tkeywords = {Direct Analysis in Real Time ionization (DART), Phthalic acid ester, Poly(vinyl chloride), Tandem mass spectrometry (MS/MS)},\n\tpages = {225--228},\n}\n\n\n\n
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\n It was found that the collision energy/voltage necessary to obtain 50% fragmentation (CV50) was linearly dependent on the molecular weight of phthalic acid esters (PAEs). Based on this observation a fast screening technique for the detection of PAEs in poly vinyl chloride (PVC) samples was developed using Direct Analysis in Real Time (DART) ionization tandem mass spectrometry. Based on this observation an automated data acquisition method, including mass-dependent tuning of the collision energy/voltage in DART-MS/MS, was developed thereby reducing the analysis time.\n
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\n \n\n \n \n \n \n \n \n Analysis of Alprazolam by DART-TOF Mass Spectrometry in Counterfeit and Routine Drug Identification Cases.\n \n \n \n \n\n\n \n Samms, W. C.; Jiang, Y. J.; Dixon, M. D.; Houck, S. S.; and Mozayani, A.\n\n\n \n\n\n\n Journal of Forensic Sciences, 56(4): 993–998. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{samms_analysis_2011,\n\ttitle = {Analysis of {Alprazolam} by {DART}-{TOF} {Mass} {Spectrometry} in {Counterfeit} and {Routine} {Drug} {Identification} {Cases}},\n\tvolume = {56},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2011.01767.x},\n\tdoi = {10.1111/j.1556-4029.2011.01767.x},\n\tabstract = {Abstract:  The high prevalence of alprazolam abuse translates to an increased workload for crime laboratories in characterizing seized tablets. These tablets may originate as diverted pharmaceuticals or counterfeited mimics, so efficient analytical techniques should provide confirmatory data while minimizing destruction of evidence. We offer the first report of a validated forensic method for confirming alprazolam tablets by direct analysis in real time–time of flight (DART-TOF) mass spectrometric analysis. This technique provides rapid identification of target analytes with minimal sample preparation, allowing direct analysis in the atmospheric sample gap. Selectivity is achieved through high resolution and mass accuracy, unique ion fragments, and chlorine isotopic ratios. This method utilizes fragmentation in two separate voltage functions to observe the alprazolam pseudo molecular ion at 309.09070 using 40 V and major ion fragments of 281.07197 and 205.07657 at 120 V. These parameters allow our laboratory to confirm alprazolam tablets efficiently, without compromising quality forensic standards.},\n\tnumber = {4},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Samms, Warren C. and Jiang, Yongyi Julia and Dixon, Mark D. and Houck, Stephen S. and Mozayani, Ashraf},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Direct analysis in real time, alprazolam, confirmation, controlled substances, counterfeit, forensic science},\n\tpages = {993--998},\n}\n\n\n\n
\n
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\n Abstract:  The high prevalence of alprazolam abuse translates to an increased workload for crime laboratories in characterizing seized tablets. These tablets may originate as diverted pharmaceuticals or counterfeited mimics, so efficient analytical techniques should provide confirmatory data while minimizing destruction of evidence. We offer the first report of a validated forensic method for confirming alprazolam tablets by direct analysis in real time–time of flight (DART-TOF) mass spectrometric analysis. This technique provides rapid identification of target analytes with minimal sample preparation, allowing direct analysis in the atmospheric sample gap. Selectivity is achieved through high resolution and mass accuracy, unique ion fragments, and chlorine isotopic ratios. This method utilizes fragmentation in two separate voltage functions to observe the alprazolam pseudo molecular ion at 309.09070 using 40 V and major ion fragments of 281.07197 and 205.07657 at 120 V. These parameters allow our laboratory to confirm alprazolam tablets efficiently, without compromising quality forensic standards.\n
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\n \n\n \n \n \n \n \n \n Validation of Thin Layer Chromatography with AccuTOF-DART™ Detection for Forensic Drug Analysis*.\n \n \n \n \n\n\n \n Howlett, S. E.; and Steiner, R. R.\n\n\n \n\n\n\n Journal of Forensic Sciences, 56(5): 1261–1267. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{howlett_validation_2011,\n\ttitle = {Validation of {Thin} {Layer} {Chromatography} with {AccuTOF}-{DART}™ {Detection} for {Forensic} {Drug} {Analysis}*},\n\tvolume = {56},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2011.01881.x},\n\tdoi = {10.1111/j.1556-4029.2011.01881.x},\n\tabstract = {Abstract:  Thin layer chromatography (TLC) is a technique that is commonly employed in the forensic drug analysis of pharmaceutical preparations. Detection is typically accomplished using various visualization spray reagents. Conventional gas chromatography–mass spectrometry (GC-MS) analysis is typically performed to confirm the TLC results. Depending on the drugs tested and the instrument conditions required, this confirmation can take up to an hour to complete. Direct analysis in real time (DART™) is an ionization source, coupled to an accurate-mass time-of-flight mass spectrometer that has the capability to ionize materials under ambient conditions. To streamline analysis, the combination of TLC with DART™ detection is proposed to screen and subsequently identify drug compounds, all from the same TLC plate. DART™ confirmations of TLC analyses take {\\textless}10 min to complete and compare favorably to GC-MS in sensitivity and selectivity. This study validates the use of TLC-DART in the forensic identification of the components of several pharmaceutical preparations.},\n\tnumber = {5},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Howlett, Susanne E. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time, controlled substances, forensic science, forensic science; controlled substances; thin layer chromatography; direct analysis in real time; mass spectrometry; time of flight; AccuTOF, mass spectrometry, thin layer chromatography, time of flight},\n\tpages = {1261--1267},\n}\n\n\n\n
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\n\n\n
\n Abstract:  Thin layer chromatography (TLC) is a technique that is commonly employed in the forensic drug analysis of pharmaceutical preparations. Detection is typically accomplished using various visualization spray reagents. Conventional gas chromatography–mass spectrometry (GC-MS) analysis is typically performed to confirm the TLC results. Depending on the drugs tested and the instrument conditions required, this confirmation can take up to an hour to complete. Direct analysis in real time (DART™) is an ionization source, coupled to an accurate-mass time-of-flight mass spectrometer that has the capability to ionize materials under ambient conditions. To streamline analysis, the combination of TLC with DART™ detection is proposed to screen and subsequently identify drug compounds, all from the same TLC plate. DART™ confirmations of TLC analyses take \\textless10 min to complete and compare favorably to GC-MS in sensitivity and selectivity. This study validates the use of TLC-DART in the forensic identification of the components of several pharmaceutical preparations.\n
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\n \n\n \n \n \n \n \n \n Direct analysis of dithiocarbamate fungicides in fruit by ambient mass spectrometry.\n \n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Zomer, P.; Mol, H.; and Hajslova, J.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 28(10): 1372–1382. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cajka_direct_2011,\n\ttitle = {Direct analysis of dithiocarbamate fungicides in fruit by ambient mass spectrometry},\n\tvolume = {28},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2011.590456},\n\tdoi = {10.1080/19440049.2011.590456},\n\tabstract = {Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.\nDithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.},\n\tnumber = {10},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Cajka, Tomas and Riddellova, Katerina and Zomer, Paul and Mol, Hans and Hajslova, Jana},\n\tyear = {2011},\n\tpages = {1372--1382},\n}\n\n\n\n
\n
\n\n\n
\n Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained. Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.\n
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\n \n\n \n \n \n \n \n \n Determination of drugs and drug-like compounds in different samples with direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n Mass Spectrometry Reviews, 30(5): 875–883. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{chernetsova_determination_2011,\n\ttitle = {Determination of drugs and drug-like compounds in different samples with direct analysis in real time mass spectrometry},\n\tvolume = {30},\n\tissn = {1098-2787},\n\turl = {http://dx.doi.org/10.1002/mas.20304},\n\tdoi = {10.1002/mas.20304},\n\tabstract = {Direct analysis in real time (DART), a relatively new ionization source for mass spectrometry, ionizes small-molecule components from different kinds of samples without any sample preparation and chromatographic separation. The current paper reviews the published data available on the determination of drugs and drug-like compounds in different matrices with DART-MS, including identification and quantitation issues. Parameters that affect ionization efficiency and mass spectra composition are also discussed. © 2011 Wiley Periodicals, Inc., Mass Spec Rev 30:875–883, 2011},\n\tnumber = {5},\n\tjournal = {Mass Spectrometry Reviews},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tyear = {2011},\n\tkeywords = {Ambient mass spectrometry, DART, Direct analysis in real time, drugs, identification, quantitation, review; direct analysis in real time; DART; drugs; identification; quantitation; ambient mass spectrometry},\n\tpages = {875--883},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART), a relatively new ionization source for mass spectrometry, ionizes small-molecule components from different kinds of samples without any sample preparation and chromatographic separation. The current paper reviews the published data available on the determination of drugs and drug-like compounds in different matrices with DART-MS, including identification and quantitation issues. Parameters that affect ionization efficiency and mass spectra composition are also discussed. © 2011 Wiley Periodicals, Inc., Mass Spec Rev 30:875–883, 2011\n
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\n \n\n \n \n \n \n \n \n Practical considerations for the rapid screening for pesticides using ambient pressure desorption ionisation with high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Edison, S.; Lin, L.; and Parrales, L.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 28(10): 1393–1404. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PracticalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{edison_practical_2011,\n\ttitle = {Practical considerations for the rapid screening for pesticides using ambient pressure desorption ionisation with high-resolution mass spectrometry},\n\tvolume = {28},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2011.596165},\n\tdoi = {10.1080/19440049.2011.596165},\n\tabstract = {A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80\\% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.\nA rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80\\% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.},\n\tnumber = {10},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Edison, S.E. and Lin, L.A. and Parrales, L.},\n\tyear = {2011},\n\tpages = {1393--1404},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode. A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.\n
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\n \n\n \n \n \n \n \n \n Some new features of Direct Analysis in Real Time mass spectrometry utilizing the desorption at an angle option.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Revelsky, A. I.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(16): 2275–2282. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SomePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_new_2011,\n\ttitle = {Some new features of {Direct} {Analysis} in {Real} {Time} mass spectrometry utilizing the desorption at an angle option},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5112},\n\tdoi = {10.1002/rcm.5112},\n\tabstract = {The present study is a first step towards the unexplored capabilities of Direct Analysis in Real Time (DART) mass spectrometry (MS) arising from the possibility of the desorption at an angle: scanning analysis of surfaces, including the coupling of thin-layer chromatography (TLC) with DART-MS, and a more sensitive analysis due to the preliminary concentration of analytes dissolved in large volumes of liquids on glass surfaces. In order to select the most favorable conditions for DART-MS analysis, proper positioning of samples is important. Therefore, a simple and cheap technique for the visualization of the impact region of the DART gas stream onto a substrate was developed. A filter paper or TLC plate, previously loaded with the analyte, was immersed in a derivatization solution. On this substrate, owing to the impact of the hot DART gas, reaction of the analyte to a colored product occurred. An improved capability of detection of DART-MS for the analysis of liquids was demonstrated by applying large volumes of model solutions of coumaphos into small glass vessels and drying these solutions prior to DART-MS analysis under ambient conditions. This allowed the introduction of, by up to more than two orders of magnitude, increased quantities of analyte compared with the conventional DART-MS analysis of liquids. Through this improved detectability, the capabilities of DART-MS in trace analysis could be strengthened. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {16},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Revelsky, Alexander I. and Morlock, Gertrud E.},\n\tyear = {2011},\n\tkeywords = {Agilent Quad},\n\tpages = {2275--2282},\n}\n\n\n\n
\n
\n\n\n
\n The present study is a first step towards the unexplored capabilities of Direct Analysis in Real Time (DART) mass spectrometry (MS) arising from the possibility of the desorption at an angle: scanning analysis of surfaces, including the coupling of thin-layer chromatography (TLC) with DART-MS, and a more sensitive analysis due to the preliminary concentration of analytes dissolved in large volumes of liquids on glass surfaces. In order to select the most favorable conditions for DART-MS analysis, proper positioning of samples is important. Therefore, a simple and cheap technique for the visualization of the impact region of the DART gas stream onto a substrate was developed. A filter paper or TLC plate, previously loaded with the analyte, was immersed in a derivatization solution. On this substrate, owing to the impact of the hot DART gas, reaction of the analyte to a colored product occurred. An improved capability of detection of DART-MS for the analysis of liquids was demonstrated by applying large volumes of model solutions of coumaphos into small glass vessels and drying these solutions prior to DART-MS analysis under ambient conditions. This allowed the introduction of, by up to more than two orders of magnitude, increased quantities of analyte compared with the conventional DART-MS analysis of liquids. Through this improved detectability, the capabilities of DART-MS in trace analysis could be strengthened. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Crushing Garlic and Slicing Onions: Detection of Sulfenic Acids and Other Reactive Organosulfur Intermediates from Garlic and Other Alliums using Direct Analysis in Real-Time Mass Spectrometry (DART-MS).\n \n \n \n\n\n \n Block, E.; Dane, A.; and Cody, R.\n\n\n \n\n\n\n Phosphorus, Sulfur, and Silicon and the Related Elements, 186(5): 1085–1093. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{block_crushing_2011,\n\ttitle = {Crushing {Garlic} and {Slicing} {Onions}: {Detection} of {Sulfenic} {Acids} and {Other} {Reactive} {Organosulfur} {Intermediates} from {Garlic} and {Other} {Alliums} using {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry} ({DART}-{MS})},\n\tvolume = {186},\n\tabstract = {Direct analysis in real-time mass spectrometry (DART-MS) under both positive-ion (PI) and negative-ion (NI) high-resolution (HR) conditions has been used to identify reactive sulfur-containing compounds formed from cutting seven different genus Allium species, garlic, onion, elephant garlic, leek, Chinese chives, and the ornamental species, Allium siculum and A. stipitatum. From cut garlic, PI-DART-MS shows allicin, allyl/methyl and dimethyl thiosulfinates, diallyl trisulfane S-oxide, allyl alcohol, and propene, whereas NI-DART-MS shows 2-propenesulfenic acid, 2-propenesulfinic acid, SO2, and pyruvate. From cut onion, PI-DART-MS shows mainly the lachrymatory factor (LF), along with much lower amounts of thiosulfinates, zwiebelanes, and a bis-sulfine. From cut elephant garlic, both allicin and LF are found, along with thiosulfinates and bis-sulfine. From cut leek, using PI-DART-MS, mixed methyl-1-propenyl-n-propyl thiosulfinates are found, whereas cut Chinese chive shows predominantly methyl with lesser amounts of mixed allyl/methyl thiosufinates. From cut A. siculum, PI-DART-MS shows butanethial S-oxide along with lesser amounts of mixed 1-butenyl/n-butyl/methyl thiosulfinates, while from cut A. stipitatum, N-hydroxy-2-pyridinethione (pyrithone) is seen. PI-DART-MS analysis of all six cut Allium species showed that disulfanes and polysulfanes were absent, which is consistent with these compounds being artifacts from handling and analysis.},\n\tnumber = {5},\n\tjournal = {Phosphorus, Sulfur, and Silicon and the Related Elements},\n\tauthor = {Block, E. and Dane, A.J. and Cody, R.B.},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {1085--1093},\n}\n\n\n\n
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\n Direct analysis in real-time mass spectrometry (DART-MS) under both positive-ion (PI) and negative-ion (NI) high-resolution (HR) conditions has been used to identify reactive sulfur-containing compounds formed from cutting seven different genus Allium species, garlic, onion, elephant garlic, leek, Chinese chives, and the ornamental species, Allium siculum and A. stipitatum. From cut garlic, PI-DART-MS shows allicin, allyl/methyl and dimethyl thiosulfinates, diallyl trisulfane S-oxide, allyl alcohol, and propene, whereas NI-DART-MS shows 2-propenesulfenic acid, 2-propenesulfinic acid, SO2, and pyruvate. From cut onion, PI-DART-MS shows mainly the lachrymatory factor (LF), along with much lower amounts of thiosulfinates, zwiebelanes, and a bis-sulfine. From cut elephant garlic, both allicin and LF are found, along with thiosulfinates and bis-sulfine. From cut leek, using PI-DART-MS, mixed methyl-1-propenyl-n-propyl thiosulfinates are found, whereas cut Chinese chive shows predominantly methyl with lesser amounts of mixed allyl/methyl thiosufinates. From cut A. siculum, PI-DART-MS shows butanethial S-oxide along with lesser amounts of mixed 1-butenyl/n-butyl/methyl thiosulfinates, while from cut A. stipitatum, N-hydroxy-2-pyridinethione (pyrithone) is seen. PI-DART-MS analysis of all six cut Allium species showed that disulfanes and polysulfanes were absent, which is consistent with these compounds being artifacts from handling and analysis.\n
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\n \n\n \n \n \n \n \n \n Quantitative analysis of major dibenzocyclooctane lignans in schisandrae fructus by online TLC-DART-MS.\n \n \n \n \n\n\n \n Kim, H. J.; Oh, M. S.; Hong, J.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis, 22(3): 258–262. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_quantitative_2011,\n\ttitle = {Quantitative analysis of major dibenzocyclooctane lignans in schisandrae fructus by online {TLC}-{DART}-{MS}},\n\tvolume = {22},\n\tissn = {09580344},\n\turl = {http://doi.wiley.com/10.1002/pca.1273},\n\tdoi = {10.1002/pca.1273},\n\tabstract = {Introduction – Direct analysis in real time (DART) ion source is a powerful ionising technique for the quick and easy detection of various organic molecules without any sample preparation steps, but the lack of quantitation capacity limits its extensive use in the field of phytochemical analysis.\nObjective – To improvise a new system which utilize DART-MS as a hyphenated detector for quantitation.\nMethodology – A total extract of Schisandra chinensis fruit was analyzed on a TLC plate and three major lignan compounds were quantitated by three different methods of UV densitometry, TLC-DART-MS and HPLC-UV to compare the efficiency of each method. To introduce the TLC plate into the DART ion source at a constant velocity, a syringe pump was employed. The DART-MS total ion current chromatogram was recorded for the entire TLC plate. The concentration of each lignan compound was calculated from the calibration curve established with standard compound.\nResults – Gomisin A, gomisin N and schisandrin were well separated on a silica-coated TLC plate and the specific ion current chromatograms were successfully acquired from the TLC-DART-MS system. The TLC-DART-MS system for the quantitation of natural products showed better linearity and specificity than TLC densitometry, and consumed less time and solvent than conventional HPLC method.\nConclusion – A hyphenated system for the quantitation of phytochemicals from crude herbal drugs was successfully established. This system was shown to have a powerful analytical capacity for the prompt and efficient quantitation of natural products from crude drugs.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Oh, Myung Sook and Hong, Jongki and Jang, Young Pyo},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {258--262},\n}\n\n\n\n
\n
\n\n\n
\n Introduction – Direct analysis in real time (DART) ion source is a powerful ionising technique for the quick and easy detection of various organic molecules without any sample preparation steps, but the lack of quantitation capacity limits its extensive use in the field of phytochemical analysis. Objective – To improvise a new system which utilize DART-MS as a hyphenated detector for quantitation. Methodology – A total extract of Schisandra chinensis fruit was analyzed on a TLC plate and three major lignan compounds were quantitated by three different methods of UV densitometry, TLC-DART-MS and HPLC-UV to compare the efficiency of each method. To introduce the TLC plate into the DART ion source at a constant velocity, a syringe pump was employed. The DART-MS total ion current chromatogram was recorded for the entire TLC plate. The concentration of each lignan compound was calculated from the calibration curve established with standard compound. Results – Gomisin A, gomisin N and schisandrin were well separated on a silica-coated TLC plate and the specific ion current chromatograms were successfully acquired from the TLC-DART-MS system. The TLC-DART-MS system for the quantitation of natural products showed better linearity and specificity than TLC densitometry, and consumed less time and solvent than conventional HPLC method. Conclusion – A hyphenated system for the quantitation of phytochemicals from crude herbal drugs was successfully established. This system was shown to have a powerful analytical capacity for the prompt and efficient quantitation of natural products from crude drugs.\n
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\n \n\n \n \n \n \n \n \n Surface swabbing technique for the rapid screening for pesticides using ambient pressure desorption ionization with high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Edison, S. E.; Lin, L. A.; Gamble, B. M.; Wong, J.; and Zhang, K.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(1): 127–139. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SurfacePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{edison_surface_2011,\n\ttitle = {Surface swabbing technique for the rapid screening for pesticides using ambient pressure desorption ionization with high-resolution mass spectrometry},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4831},\n\tdoi = {10.1002/rcm.4831},\n\tabstract = {A rapid screening method for pesticides has been developed to promote more efficient processing of produce entering the United States. Foam swabs were used to recover a multiclass mixture of 132 pesticides from the surfaces of grapes, apples, and oranges. The swabs were analyzed using direct analysis in real time (DART) ionization coupled with a high-resolution Exactive Orbitrap™ mass spectrometer. By using a DART helium temperature gradient from 100–350°C over 3 min, a minimal separation of analytes based on volatility differences was achieved. This, combined with the Exactive's mass resolution of 100 000, allowed the chromatographic step, along with the typical compositing and extraction steps associated with gas chromatography/mass spectrometry (GC/MS) or liquid chromatography/mass spectrometry (LC/MS) approaches, to be eliminated. Detection of 86\\% of the analytes present was consistently achieved at levels of 2 ng/g (per each apple or orange) and 10 ng/g (per grape). A resolution study was conducted with four pairs of isobaric compounds analyzed at a mass resolution of 100 000. Baseline separation was achieved with analyte ions differing in mass by 25 ppm and analyte ions with a mass difference of 10 ppm were partially resolved. In addition, field samples that had undergone traditional sample preparation using QuEChERS (quick, easy, cheap, rugged, and safe) were analyzed using both LC/MS and DART-MS and the results from the two techniques were found to be comparable in terms of identification of the pesticides present. The use of swabs greatly increased sample throughput by reducing sample preparation and analysis time. Published in 2010 by John Wiley \\& Sons, Ltd.},\n\tnumber = {1},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Edison, Sara. E. and Lin, Lora A. and Gamble, Bryan M. and Wong, Jon and Zhang, Kai},\n\tyear = {2011},\n\tkeywords = {Orbitrap},\n\tpages = {127--139},\n}\n\n\n\n
\n
\n\n\n
\n A rapid screening method for pesticides has been developed to promote more efficient processing of produce entering the United States. Foam swabs were used to recover a multiclass mixture of 132 pesticides from the surfaces of grapes, apples, and oranges. The swabs were analyzed using direct analysis in real time (DART) ionization coupled with a high-resolution Exactive Orbitrap™ mass spectrometer. By using a DART helium temperature gradient from 100–350°C over 3 min, a minimal separation of analytes based on volatility differences was achieved. This, combined with the Exactive's mass resolution of 100 000, allowed the chromatographic step, along with the typical compositing and extraction steps associated with gas chromatography/mass spectrometry (GC/MS) or liquid chromatography/mass spectrometry (LC/MS) approaches, to be eliminated. Detection of 86% of the analytes present was consistently achieved at levels of 2 ng/g (per each apple or orange) and 10 ng/g (per grape). A resolution study was conducted with four pairs of isobaric compounds analyzed at a mass resolution of 100 000. Baseline separation was achieved with analyte ions differing in mass by 25 ppm and analyte ions with a mass difference of 10 ppm were partially resolved. In addition, field samples that had undergone traditional sample preparation using QuEChERS (quick, easy, cheap, rugged, and safe) were analyzed using both LC/MS and DART-MS and the results from the two techniques were found to be comparable in terms of identification of the pesticides present. The use of swabs greatly increased sample throughput by reducing sample preparation and analysis time. Published in 2010 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Ambient desorption ionization mass spectrometry (DART, DESI) and its bioanalytical applications.\n \n \n \n \n\n\n \n Morlock, G.\n\n\n \n\n\n\n Bioanalytical Reviews, 3(1): 1–9. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{morlock_ambient_2011,\n\ttitle = {Ambient desorption ionization mass spectrometry ({DART}, {DESI}) and its bioanalytical applications},\n\tvolume = {3},\n\tissn = {1867-2086},\n\turl = {http://dx.doi.org/10.1007/s12566-010-0019-5},\n\tdoi = {10.1007/s12566-010-0019-5},\n\tabstract = {In recent years, ambient desorption ionization techniques for mass spectrometry were introduced. Among them, the most established techniques are Direct Analysis in Real Time (DART) and Desorption Electrospray Ionization (DESI). Therefore, the current review focuses on the bioanalytical applications of ambient desorption ionization techniques by the example of DART and DESI mass spectrometry. The potential and also limitations of both ambient mass spectrometry (MS) techniques in such areas, as identification and quantitation of small molecules, coupling DART-MS and DESI-MS with planar chromatography, protein/peptide analysis, as well as molecular imaging applications, are discussed.},\n\tnumber = {1},\n\tjournal = {Bioanalytical Reviews},\n\tauthor = {Morlock, Gertrud},\n\tyear = {2011},\n\tkeywords = {Ambient mass spectrometry, Bioanalytical methods, Chemistry and Materials Science, Desorption electrospray ionization – DESI, Direct analysis in real time – DART, identification, quantitation},\n\tpages = {1--9},\n}\n\n\n\n
\n
\n\n\n
\n In recent years, ambient desorption ionization techniques for mass spectrometry were introduced. Among them, the most established techniques are Direct Analysis in Real Time (DART) and Desorption Electrospray Ionization (DESI). Therefore, the current review focuses on the bioanalytical applications of ambient desorption ionization techniques by the example of DART and DESI mass spectrometry. The potential and also limitations of both ambient mass spectrometry (MS) techniques in such areas, as identification and quantitation of small molecules, coupling DART-MS and DESI-MS with planar chromatography, protein/peptide analysis, as well as molecular imaging applications, are discussed.\n
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\n \n\n \n \n \n \n \n \n Analysis of printing and writing papers by using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Adams, J.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 301(1–3): 109–126. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{adams_analysis_2011,\n\ttitle = {Analysis of printing and writing papers by using direct analysis in real time mass spectrometry},\n\tvolume = {301},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380610002617},\n\tdoi = {10.1016/j.ijms.2010.07.025},\n\tabstract = {A quick and direct method for identifying organic components of papers in library and archival collections with minimal destructive sampling is needed for preservation, forensic, and general purposes. Direct analysis in real time mass spectrometry (DART-MS) is used for characterizing 16 reference papers of known manufacture in terms of their pulp composition and pitch contaminants. Unique mass spectra are obtained from bleached kraft, chemithermomechanical, and stone groundwood pulp papers in real time without extractions, derivatizations, chromatographic separations, and other time- and chemical-consuming sample preparations. Phytosteroids are volatilized from bleached hardwood kraft but not from bleached softwood kraft papers, which differentiates the two of them. The kraft papers are in turn differentiated from chemithermomechanical pulp papers by lignin-derived thermolyis products: syringyl products arise from hardwood, but guaiacyl and coumaryl products arise from softwood, chemithermomechanical pulp papers. Stone groundwood papers contain a number of extractives that are volatilized, which serve to differentiate them from all the other papers. Papers that contain rosin vs. alkyl ketene dimer (AKD) sizings are immediately differentiated. The DART-MS methodology is fast and simple, and the spectra are repeatable. Microsamples as small as ∼10\\&\\#xa0;μg tweezed from the paper surface may be analyzed. These benchmark spectra are the prelude to further applications of DART-MS in paper research and the beginning of the development of a searchable library of DART-MS spectra of printing and writing papers by the Library of Congress.},\n\tnumber = {1–3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Adams, Jeanette},\n\tyear = {2011},\n\tkeywords = {AccuTOF, DART, Direct analysis in real time, Extractives, Lignin, Paper, Pulp},\n\tpages = {109--126},\n}\n\n\n\n
\n
\n\n\n
\n A quick and direct method for identifying organic components of papers in library and archival collections with minimal destructive sampling is needed for preservation, forensic, and general purposes. Direct analysis in real time mass spectrometry (DART-MS) is used for characterizing 16 reference papers of known manufacture in terms of their pulp composition and pitch contaminants. Unique mass spectra are obtained from bleached kraft, chemithermomechanical, and stone groundwood pulp papers in real time without extractions, derivatizations, chromatographic separations, and other time- and chemical-consuming sample preparations. Phytosteroids are volatilized from bleached hardwood kraft but not from bleached softwood kraft papers, which differentiates the two of them. The kraft papers are in turn differentiated from chemithermomechanical pulp papers by lignin-derived thermolyis products: syringyl products arise from hardwood, but guaiacyl and coumaryl products arise from softwood, chemithermomechanical pulp papers. Stone groundwood papers contain a number of extractives that are volatilized, which serve to differentiate them from all the other papers. Papers that contain rosin vs. alkyl ketene dimer (AKD) sizings are immediately differentiated. The DART-MS methodology is fast and simple, and the spectra are repeatable. Microsamples as small as ∼10 μg tweezed from the paper surface may be analyzed. These benchmark spectra are the prelude to further applications of DART-MS in paper research and the beginning of the development of a searchable library of DART-MS spectra of printing and writing papers by the Library of Congress.\n
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\n \n\n \n \n \n \n \n \n Thin layer chromatography/mass spectrometry.\n \n \n \n \n\n\n \n Cheng, S.; Huang, M.; and Shiea, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1218(19): 2700–2711. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ThinPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cheng_thin_2011,\n\ttitle = {Thin layer chromatography/mass spectrometry},\n\tvolume = {1218},\n\turl = {http://dx.doi.org/10.1016/j.chroma.2011.01.077},\n\tabstract = {Thin layer chromatography (TLC)—a simple, cost-effective, and easy-to-operate planar chromatographic technique—has been used in general chemistry laboratories for several decades to routinely separate chemical and biochemical compounds. Traditionally, chemical and optical methods are employed to visualize the analyte spots on the TLC plate. Because direct identification and structural characterization of the analytes on the TLC plate through these methods are not possible, there has been long-held interest in the development of interfaces that allow TLC to be combined with mass spectrometry (MS)—one of the most efficient analytical tools for structural elucidation. So far, many different TLC–MS techniques have been reported in the literature; some are commercially available. According to differences in their operational processes, the existing TLC–MS systems can be classified into two categories: (i) indirect mass spectrometric analyses, performed by scraping, extracting, purifying, and concentrating the analyte from the TLC plate and then directing it into the mass spectrometer's ion source for further analysis; (ii) direct mass spectrometric analyses, where the analyte on the TLC plate is characterized directly through mass spectrometry without the need for scraping, extraction, or concentration processes. Conventionally, direct TLC–MS analysis is performed under vacuum, but the development of ambient mass spectrometry has allowed analytes on TLC plates to be characterized under atmospheric pressure. Thus, TLC–MS techniques can also be classified into two other categories according to the working environment of the ion source: vacuum-based TLC–MS or ambient TLC–MS. This review article describes the state of the art of TLC–MS techniques used for indirect and direct characterization of analytes on the surfaces of TLC plates.},\n\tnumber = {19},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Cheng, Sy-Chyi and Huang, Min-Zong and Shiea, Jentaie},\n\tyear = {2011},\n\tkeywords = {Review; TLC–MS; Ambient ionization; Vacuum-based ionization; Desorption/ionization; Direct sampling; Indirect sampling},\n\tpages = {2700--2711},\n}\n\n\n\n
\n
\n\n\n
\n Thin layer chromatography (TLC)—a simple, cost-effective, and easy-to-operate planar chromatographic technique—has been used in general chemistry laboratories for several decades to routinely separate chemical and biochemical compounds. Traditionally, chemical and optical methods are employed to visualize the analyte spots on the TLC plate. Because direct identification and structural characterization of the analytes on the TLC plate through these methods are not possible, there has been long-held interest in the development of interfaces that allow TLC to be combined with mass spectrometry (MS)—one of the most efficient analytical tools for structural elucidation. So far, many different TLC–MS techniques have been reported in the literature; some are commercially available. According to differences in their operational processes, the existing TLC–MS systems can be classified into two categories: (i) indirect mass spectrometric analyses, performed by scraping, extracting, purifying, and concentrating the analyte from the TLC plate and then directing it into the mass spectrometer's ion source for further analysis; (ii) direct mass spectrometric analyses, where the analyte on the TLC plate is characterized directly through mass spectrometry without the need for scraping, extraction, or concentration processes. Conventionally, direct TLC–MS analysis is performed under vacuum, but the development of ambient mass spectrometry has allowed analytes on TLC plates to be characterized under atmospheric pressure. Thus, TLC–MS techniques can also be classified into two other categories according to the working environment of the ion source: vacuum-based TLC–MS or ambient TLC–MS. This review article describes the state of the art of TLC–MS techniques used for indirect and direct characterization of analytes on the surfaces of TLC plates.\n
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\n \n\n \n \n \n \n \n In-situ and Rapid Identification of Tea by Diect Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Zhang, J.; Zhang, W.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Chinese Journal of Chromatography, 29(7): 681–686. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhang_-situ_2011,\n\ttitle = {In-situ and {Rapid} {Identification} of {Tea} by {Diect} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {29},\n\tabstract = {By applying an ambient mass spectrometric method-direct analysis in real time mass spectrometry (DART MS), a method was developed for rapid identification of the principal constituents in different kinds of tea. The identification of different kinds of tea was also achieved by characteristic mass spectrometric signals. Under atmospheric pressure, DART MS method does not require any sample preparation, greatly reduces the analysis time, realizes the in situ, rapid, accurate, and high-throughput analysis.},\n\tnumber = {7},\n\tjournal = {Chinese Journal of Chromatography},\n\tauthor = {Zhang, J. and Zhang, W. and Zhou, Z. and Bai, Y. and Liu, H.},\n\tyear = {2011},\n\tkeywords = {ion trap; XCT},\n\tpages = {681--686},\n}\n\n\n\n
\n
\n\n\n
\n By applying an ambient mass spectrometric method-direct analysis in real time mass spectrometry (DART MS), a method was developed for rapid identification of the principal constituents in different kinds of tea. The identification of different kinds of tea was also achieved by characteristic mass spectrometric signals. Under atmospheric pressure, DART MS method does not require any sample preparation, greatly reduces the analysis time, realizes the in situ, rapid, accurate, and high-throughput analysis.\n
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\n \n\n \n \n \n \n \n \n Purification of pharmaceutical preparations using thin-layer chromatography to obtain mass spectra with Direct Analysis in Real Time and accurate mass spectrometry.\n \n \n \n \n\n\n \n Wood, J. L.; and Steiner, R. R.\n\n\n \n\n\n\n Drug Testing and Analysis, 3(6): 345–351. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PurificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wood_purification_2011,\n\ttitle = {Purification of pharmaceutical preparations using thin-layer chromatography to obtain mass spectra with {Direct} {Analysis} in {Real} {Time} and accurate mass spectrometry},\n\tvolume = {3},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.293},\n\tdoi = {10.1002/dta.293},\n\tabstract = {Forensic analysis of pharmaceutical preparations requires a comparative analysis with a standard of the suspected drug in order to identify the active ingredient. Purchasing analytical standards can be expensive or unattainable from the drug manufacturers. Direct Analysis in Real Time (DART™) is a novel, ambient ionization technique, typically coupled with a JEOL AccuTOF™ (accurate mass) mass spectrometer. While a fast and easy technique to perform, a drawback of using DART™ is the lack of component separation of mixtures prior to ionization. Various in-house pharmaceutical preparations were purified using thin-layer chromatography (TLC) and mass spectra were subsequently obtained using the AccuTOF™- DART™ technique. Utilizing TLC prior to sample introduction provides a simple, low-cost solution to acquiring mass spectra of the purified preparation. Each spectrum was compared against an in-house molecular formula list to confirm the accurate mass elemental compositions. Spectra of purified ingredients of known pharmaceuticals were added to an in-house library for use as comparators for casework samples. Resolving isomers from one another can be accomplished using collision-induced dissociation after ionization. Challenges arose when the pharmaceutical preparation required an optimized TLC solvent to achieve proper separation and purity of the standard. Purified spectra were obtained for 91 preparations and included in an in-house drug standard library. Primary standards would only need to be purchased when pharmaceutical preparations not previously encountered are submitted for comparative analysis. TLC prior to DART™ analysis demonstrates a time efficient and cost saving technique for the forensic drug analysis community. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {6},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Wood, Jessica L. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Direct analysis in real time, forensic science, pharmaceutical preparations, thin-layer chromatography, time of flight},\n\tpages = {345--351},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Forensic analysis of pharmaceutical preparations requires a comparative analysis with a standard of the suspected drug in order to identify the active ingredient. Purchasing analytical standards can be expensive or unattainable from the drug manufacturers. Direct Analysis in Real Time (DART™) is a novel, ambient ionization technique, typically coupled with a JEOL AccuTOF™ (accurate mass) mass spectrometer. While a fast and easy technique to perform, a drawback of using DART™ is the lack of component separation of mixtures prior to ionization. Various in-house pharmaceutical preparations were purified using thin-layer chromatography (TLC) and mass spectra were subsequently obtained using the AccuTOF™- DART™ technique. Utilizing TLC prior to sample introduction provides a simple, low-cost solution to acquiring mass spectra of the purified preparation. Each spectrum was compared against an in-house molecular formula list to confirm the accurate mass elemental compositions. Spectra of purified ingredients of known pharmaceuticals were added to an in-house library for use as comparators for casework samples. Resolving isomers from one another can be accomplished using collision-induced dissociation after ionization. Challenges arose when the pharmaceutical preparation required an optimized TLC solvent to achieve proper separation and purity of the standard. Purified spectra were obtained for 91 preparations and included in an in-house drug standard library. Primary standards would only need to be purchased when pharmaceutical preparations not previously encountered are submitted for comparative analysis. TLC prior to DART™ analysis demonstrates a time efficient and cost saving technique for the forensic drug analysis community. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Increasing the rate of sample vaporization in an open air desorption ionization source by using a heated metal screen as a sample holder.\n \n \n \n\n\n \n Krechmer, J.; Tice, J.; Crawford, E.; and Musselman, B.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(17): 2384–2388. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{krechmer_increasing_2011,\n\ttitle = {Increasing the rate of sample vaporization in an open air desorption ionization source by using a heated metal screen as a sample holder},\n\tvolume = {25},\n\tdoi = {10.1002/rcm.5133},\n\tabstract = {Rapid vaporization of sample into the ionizing gas exiting a direct analysis in real time (DARTW) source has been enabled by directing a high electrical current through a metal wire screen to which sample has been applied. This direct heating of the screen enables rapid vaporization of sample as the wire temperature rises from room temperature to greater than 400C in less than 20s. Positioning the screen between the DARTsource and atmospheric pressure inlet of the mass spectrometer ensures that the ionizing gas is in close proximity to the sample molecules, resulting in efficient ionization while significantly reducing the time required for mass spectrometric analysis. The capability to modulate the electrical current flow through the wires facilitates either rapid desorption for the determination of single component samples or slower desorption where analysis of mixtures might be desired. The technology also enables deployment of strategies for the determination of chemicals present as powders that might otherwise require dissolution prior to analysis. Results from the use of this thermally assisted DART (‘TA-DART’) system for the analysis of pure compounds, simple mixtures, solids and low vapor pressure samples are presented.},\n\tnumber = {17},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Krechmer, Jordan and Tice, Joseph and Crawford, Elizabeth and Musselman, Brian},\n\tyear = {2011},\n\tkeywords = {Agilent Quad},\n\tpages = {2384--2388},\n}\n\n\n\n
\n
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\n Rapid vaporization of sample into the ionizing gas exiting a direct analysis in real time (DARTW) source has been enabled by directing a high electrical current through a metal wire screen to which sample has been applied. This direct heating of the screen enables rapid vaporization of sample as the wire temperature rises from room temperature to greater than 400C in less than 20s. Positioning the screen between the DARTsource and atmospheric pressure inlet of the mass spectrometer ensures that the ionizing gas is in close proximity to the sample molecules, resulting in efficient ionization while significantly reducing the time required for mass spectrometric analysis. The capability to modulate the electrical current flow through the wires facilitates either rapid desorption for the determination of single component samples or slower desorption where analysis of mixtures might be desired. The technology also enables deployment of strategies for the determination of chemicals present as powders that might otherwise require dissolution prior to analysis. Results from the use of this thermally assisted DART (‘TA-DART’) system for the analysis of pure compounds, simple mixtures, solids and low vapor pressure samples are presented.\n
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\n \n\n \n \n \n \n \n \n Thin Layer Chromatography/Plasma Assisted Multiwavelength Laser Desorption Ionization Mass Spectrometry for Facile Separation and Selective Identification of Low Molecular Weight Compounds.\n \n \n \n \n\n\n \n Zhang, J.; Zhou, Z.; Yang, J.; Zhang, W.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Anal. Chem., 84(3): 1496–1503. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ThinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zhang_thin_2011,\n\ttitle = {Thin {Layer} {Chromatography}/{Plasma} {Assisted} {Multiwavelength} {Laser} {Desorption} {Ionization} {Mass} {Spectrometry} for {Facile} {Separation} and {Selective} {Identification} of {Low} {Molecular} {Weight} {Compounds}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac202732y},\n\tdoi = {10.1021/ac202732y},\n\tabstract = {A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.\nA novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.},\n\tnumber = {3},\n\tjournal = {Anal. Chem.},\n\tauthor = {Zhang, Jialing and Zhou, Zhigui and Yang, Jianwang and Zhang, Wei and Bai, Yu and Liu, Huwei},\n\tyear = {2011},\n\tkeywords = {DART, LDI, laser desorption, TLC},\n\tpages = {1496--1503},\n}\n\n\n\n
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\n A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2. A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.\n
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\n \n\n \n \n \n \n \n \n Development and validation of AccuTOF-DART™ as a screening method for analysis of bank security device and pepper spray components.\n \n \n \n \n\n\n \n Pfaff, A. M.; and Steiner, R. R.\n\n\n \n\n\n\n Forensic Science International, 206(1–3): 62–70. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DevelopmentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{pfaff_development_2011,\n\ttitle = {Development and validation of {AccuTOF}-{DART}™ as a screening method for analysis of bank security device and pepper spray components},\n\tvolume = {206},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073810003154},\n\tdoi = {10.1016/j.forsciint.2010.06.018},\n\tabstract = {Analysis of bank security devices, containing 1-methylaminoanthraquinone (MAAQ) and o-chlorobenzylidenemalononitrile (CS), and pepper sprays, containing capsaicin, is a lengthy process with no specific screening technique to aid in identifying samples of interest. Direct Analysis in Real Time (DART™) ionization coupled with an Accurate Time of Flight (AccuTOF) mass detector is a fast, ambient ionization source that could significantly reduce time spent on these cases and increase the specificity of the screening process. A new method for screening clothing for bank dye and pepper spray, using AccuTOF-DART™ analysis, has been developed. Detection of MAAQ, CS, and capsaicin was achieved via extraction of each compound onto cardstock paper, which was then sampled in the AccuTOF-DART™. All results were verified using gas chromatography coupled with electron impact mass spectrometry.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Pfaff, Allison M. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {Bank dye, Direct analysis in real time, Forensic science; Bank dye; Pepper spray; Direct Analysis in Real Time; Mass spectrometry; Time of flight; AccuTOF, Pepper spray, forensic science, mass spectrometry, time of flight},\n\tpages = {62--70},\n}\n\n\n\n\n\n\n\n
\n
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\n Analysis of bank security devices, containing 1-methylaminoanthraquinone (MAAQ) and o-chlorobenzylidenemalononitrile (CS), and pepper sprays, containing capsaicin, is a lengthy process with no specific screening technique to aid in identifying samples of interest. Direct Analysis in Real Time (DART™) ionization coupled with an Accurate Time of Flight (AccuTOF) mass detector is a fast, ambient ionization source that could significantly reduce time spent on these cases and increase the specificity of the screening process. A new method for screening clothing for bank dye and pepper spray, using AccuTOF-DART™ analysis, has been developed. Detection of MAAQ, CS, and capsaicin was achieved via extraction of each compound onto cardstock paper, which was then sampled in the AccuTOF-DART™. All results were verified using gas chromatography coupled with electron impact mass spectrometry.\n
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\n \n\n \n \n \n \n \n Study on rapid and direct analysis of illegally added six PDE5 inhibitors in health food by DART-MS/MS method.\n \n \n \n\n\n \n CHENG, Xian-lon; LI ,Wen-jie; LI, Wei-jian; XIAO, Xin-yue; LIN, Rui-chao; and WEI, Feng\n\n\n \n\n\n\n Chinese Journal of Pharmaceutical Analysis, 31: 438–442. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cheng_xian-lon_study_2011,\n\ttitle = {Study on rapid and direct analysis of illegally added six {PDE5} inhibitors in health food by {DART}-{MS}/{MS} method},\n\tvolume = {31},\n\tdoi = {CNKI:SUN:YWFX.0.2011-03-005},\n\tabstract = {To develop a directed analysis of 6 phosphodiesterase 5(PDE5)inhibitors:sildenafil,tadalafil,acetildenafil,hydroxyhomosildenafil,aminotadalafil,pseudo-vardenfil in health food.Methods:Triple quadrupol MS with DART ion souce was used to perform the direct analysis.The DART sampler delivery rate was 0.2 mm·s-1.The temperature of carry gas of DART was 450 ℃.The capillary voltage was kept at 4 kV.The temperature of the drying gas of triple quadrupol MS was set at 350 ℃.The flow rate of the drying gas of triple quadrupol MS was set at 10 L·min-1,respectively.Product ion scan mode was used with scan range from 50-550 amu.The precursor ions were set as m/z 475.1(sildenafil),m/z 467.2(acetildenafil),m/z 505.1(hydroxyhomosildenafil),m/z 390.1(tadalafil),m/z 391.2(aminotadalafil),m/z 460.3(pseudo-vardenfil).The identification was performed by comparing the mass spectrum of detected peak in samples with the mass spectrum of peak in reference substance.Results:The limit of detection for each of 6 PDE5 inhibitors was under 1 μg·g-1.Sildenafil was detected in 6 samples,and tadalafil was detected in 1 sample.Conclusion:The method is employed to simultaneous detection of 6 PDE5 inhibitors in health food.},\n\tjournal = {Chinese Journal of Pharmaceutical Analysis},\n\tauthor = {{CHENG, Xian-lon} and {LI ,Wen-jie} and {LI, Wei-jian} and {XIAO, Xin-yue} and {LIN, Rui-chao} and {WEI, Feng}},\n\tyear = {2011},\n\tpages = {438--442},\n}\n\n\n\n
\n
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\n To develop a directed analysis of 6 phosphodiesterase 5(PDE5)inhibitors:sildenafil,tadalafil,acetildenafil,hydroxyhomosildenafil,aminotadalafil,pseudo-vardenfil in health food.Methods:Triple quadrupol MS with DART ion souce was used to perform the direct analysis.The DART sampler delivery rate was 0.2 mm·s-1.The temperature of carry gas of DART was 450 ℃.The capillary voltage was kept at 4 kV.The temperature of the drying gas of triple quadrupol MS was set at 350 ℃.The flow rate of the drying gas of triple quadrupol MS was set at 10 L·min-1,respectively.Product ion scan mode was used with scan range from 50-550 amu.The precursor ions were set as m/z 475.1(sildenafil),m/z 467.2(acetildenafil),m/z 505.1(hydroxyhomosildenafil),m/z 390.1(tadalafil),m/z 391.2(aminotadalafil),m/z 460.3(pseudo-vardenfil).The identification was performed by comparing the mass spectrum of detected peak in samples with the mass spectrum of peak in reference substance.Results:The limit of detection for each of 6 PDE5 inhibitors was under 1 μg·g-1.Sildenafil was detected in 6 samples,and tadalafil was detected in 1 sample.Conclusion:The method is employed to simultaneous detection of 6 PDE5 inhibitors in health food.\n
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\n \n\n \n \n \n \n \n Analytical methods for the quantification of volatile aromatic compounds.\n \n \n \n\n\n \n Biniecka, M.; and Caroli, S.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry, 30(11): 1756–1770. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{biniecka_analytical_2011,\n\ttitle = {Analytical methods for the quantification of volatile aromatic compounds},\n\tvolume = {30},\n\tabstract = {The investigation of odorants is not an easy task, which needs to be undertaken in the context of fit-for-purpose quality systems. To date, great attention has been paid to determination of the volatile fractions of odorants, since they are responsible for the attributes of global flavor [i.e. a combination of olfactory (aroma) and gustatory (taste) sensations produced by chemicals]. This kind of determination can be carried out by analytical techniques [e.g., gas chromatography (GC) combined with mass spectrometry and/or olfactometric GC]. Methods complementary to GC analysis are available, allowing assessment of the olfactory impact by an electronic nose (e-nose) or a panel of selected individuals. Also, we consider some innovative analytical techniques to study the effects of odorants in food during consumption.},\n\tnumber = {11},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Biniecka, Małgorzata and Caroli, Sergio},\n\tyear = {2011},\n\tkeywords = {Analytical method; Electronic nose; Food odorant; Gas chromatography; Mass spectrometry; Odorant; Odorant determination; Olfactometric gas chromatography; Volatile aromatic compound},\n\tpages = {1756--1770},\n}\n\n\n\n
\n
\n\n\n
\n The investigation of odorants is not an easy task, which needs to be undertaken in the context of fit-for-purpose quality systems. To date, great attention has been paid to determination of the volatile fractions of odorants, since they are responsible for the attributes of global flavor [i.e. a combination of olfactory (aroma) and gustatory (taste) sensations produced by chemicals]. This kind of determination can be carried out by analytical techniques [e.g., gas chromatography (GC) combined with mass spectrometry and/or olfactometric GC]. Methods complementary to GC analysis are available, allowing assessment of the olfactory impact by an electronic nose (e-nose) or a panel of selected individuals. Also, we consider some innovative analytical techniques to study the effects of odorants in food during consumption.\n
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\n \n\n \n \n \n \n \n \n Identification of ambiguous cubeb fruit by DART-MS-based fingerprinting combined with principal component analysis.\n \n \n \n \n\n\n \n Kim, H. J.; Baek, W. S.; and Jang, Y. P.\n\n\n \n\n\n\n Food Chemistry, 129(3): 1305–1310. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kim_identification_2011,\n\ttitle = {Identification of ambiguous cubeb fruit by {DART}-{MS}-based fingerprinting combined with principal component analysis},\n\tvolume = {129},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814611007862},\n\tdoi = {10.1016/j.foodchem.2011.05.083},\n\tabstract = {The cubeb berry has been used as a spice and medicinal herb since medieval times. In China, Litsea cubeba (Lauraceae) has been designated as the cubeb tree; in other countries, Piper cubeba (Piperaceae) is considered as the cubeb. Since most cubeb berries in the Korean market are imported from China, there is a need to develop an efficient analytical method for the identification of the origin of cubeb fruit. Thirty-two commercial cubeb samples were collected from China, Korea, and Indonesia, and direct analysis in real time mass spectrometry (DART-MS) was employed to obtain a chemical fingerprint of each sample for multivariate analysis. Cubebene was identified as a marker molecule for P. cubeba, and all cubeb samples from Korean markets were identified as the fruit of L. cubeba. DART-MS fingerprinting together with principal component analysis can be applied as a promising method for rapid identification and/or quality control of cubeb berries.},\n\tnumber = {3},\n\tjournal = {Food Chemistry},\n\tauthor = {Kim, Hye Jin and Baek, Wan Sook and Jang, Young Pyo},\n\tyear = {2011},\n\tkeywords = {Cubeb berries, Cubeb berries; Piper cubeba; Litsea cubeba; DART-MS; Principal component analysis; AccuTOF, DART-MS, Litsea cubeba, Piper cubeba, Principal component analysis},\n\tpages = {1305--1310},\n}\n\n\n\n
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\n The cubeb berry has been used as a spice and medicinal herb since medieval times. In China, Litsea cubeba (Lauraceae) has been designated as the cubeb tree; in other countries, Piper cubeba (Piperaceae) is considered as the cubeb. Since most cubeb berries in the Korean market are imported from China, there is a need to develop an efficient analytical method for the identification of the origin of cubeb fruit. Thirty-two commercial cubeb samples were collected from China, Korea, and Indonesia, and direct analysis in real time mass spectrometry (DART-MS) was employed to obtain a chemical fingerprint of each sample for multivariate analysis. Cubebene was identified as a marker molecule for P. cubeba, and all cubeb samples from Korean markets were identified as the fruit of L. cubeba. DART-MS fingerprinting together with principal component analysis can be applied as a promising method for rapid identification and/or quality control of cubeb berries.\n
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\n \n\n \n \n \n \n \n \n Clarification of the composition of [M+18] ions in DART mass spectra of polyethylene glycol using high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E.; Ovcharov, M.; Zatonskii, G.; Abramovich, R.; and Revelskii, I.\n\n\n \n\n\n\n Journal of Analytical Chemistry, 66(13): 1348–1351. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ClarificationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_clarification_2011,\n\ttitle = {Clarification of the composition of [{M}+18] ions in {DART} mass spectra of polyethylene glycol using high-resolution mass spectrometry},\n\tvolume = {66},\n\tissn = {1061-9348},\n\turl = {http://dx.doi.org/10.1134/S1061934811130016},\n\tabstract = {10.1134/S1061934811130016},\n\tnumber = {13},\n\tjournal = {Journal of Analytical Chemistry},\n\tauthor = {Chernetsova, E. and Ovcharov, M. and Zatonskii, G. and Abramovich, R. and Revelskii, I.},\n\tyear = {2011},\n\tpages = {1348--1351},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n 10.1134/S1061934811130016\n
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\n \n\n \n \n \n \n \n Direct Identification of Dyes in Textiles by Direct Analysis in Real Time-Time of Flight Mass Spectrometry.\n \n \n \n\n\n \n Deroo, C. S.; and Armitage, R. A.\n\n\n \n\n\n\n Analytical Chemistry, 83(18): 6924–6928. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{deroo_direct_2011,\n\ttitle = {Direct {Identification} of {Dyes} in {Textiles} by {Direct} {Analysis} in {Real} {Time}-{Time} of {Flight} {Mass} {Spectrometry}},\n\tvolume = {83},\n\tdoi = {10.1021/ac201747s},\n\tabstract = {We present here a method requiring no sample preparation for direct identification of the organic dye compounds quercetin, indigotin, and alizarin in reference materials, in solution, and also in situ in dyed fibers by use of direct analysis in real time (DART) ionization and high-resolution time-of-flight mass spectrometry. Exact mass determinations on small samples of dyed textiles were completed in less than 1 min. With the ability to identify flavonoid, indigoid, and anthraquinone classes of dyes, this technique shows early promise as an additional analytical tool in the challenging analysis of organic dyes in rare cultural heritage materials and possesses the unique advantages of sensitivity and simplicity without the preparatory procedures required by other methods.},\n\tnumber = {18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Deroo, Cathy Selvius and Armitage, Ruth Ann},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {6924--6928},\n}\n\n\n\n
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\n We present here a method requiring no sample preparation for direct identification of the organic dye compounds quercetin, indigotin, and alizarin in reference materials, in solution, and also in situ in dyed fibers by use of direct analysis in real time (DART) ionization and high-resolution time-of-flight mass spectrometry. Exact mass determinations on small samples of dyed textiles were completed in less than 1 min. With the ability to identify flavonoid, indigoid, and anthraquinone classes of dyes, this technique shows early promise as an additional analytical tool in the challenging analysis of organic dyes in rare cultural heritage materials and possesses the unique advantages of sensitivity and simplicity without the preparatory procedures required by other methods.\n
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\n \n\n \n \n \n \n \n \n Challenging applications offered by direct analysis in real time (DART) in food-quality and safety analysis.\n \n \n \n \n\n\n \n Hajslova, J.; Cajka, T.; and Vaclavik, L.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry, 30(2): 204–218. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ChallengingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{hajslova_challenging_2011,\n\ttitle = {Challenging applications offered by direct analysis in real time ({DART}) in food-quality and safety analysis},\n\tvolume = {30},\n\tissn = {0165-9936},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0165993610003134},\n\tdoi = {10.1016/j.trac.2010.11.001},\n\tabstract = {Direct analysis in real time (DART) is an ambient ionization technique undergoing rapid development. With minimal sample pre-treatment, ionization of analyte molecules outside the mass spectrometry (MS) instrument in the ordinary atmosphere is feasible. This ionization approach relies upon the fundamental principles of atmospheric pressure chemical ionization.\n\nThe current review highlights and critically assesses application of DART (and some related desorption/ionization techniques) coupled to various types of MS analyzers for both target and non-target analysis of complex food matrices. Based on existing studies, DART-MS is presented as a simple, high-throughput tool for:(i)\nqualitative confirmation of chemical identity;\n(ii)\nmetabolomic fingerprinting/profiling; and,\n(iii)\nquantification of low-molecular-weight food components, including some trace organic contaminants.\n\n\nWith regard to regulatory requirements, we mention practical aspects of DART-MS use, as well as performance characteristics that can be attained.},\n\tnumber = {2},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Hajslova, Jana and Cajka, Tomas and Vaclavik, Lukas},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Ambient ionization, Atmospheric pressure chemical ionization, Contaminant, DART, Direct analysis in real time, Fingerprinting, Food quality, Food safety, Profiling, mass spectrometry},\n\tpages = {204--218},\n}\n\n\n\n
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\n Direct analysis in real time (DART) is an ambient ionization technique undergoing rapid development. With minimal sample pre-treatment, ionization of analyte molecules outside the mass spectrometry (MS) instrument in the ordinary atmosphere is feasible. This ionization approach relies upon the fundamental principles of atmospheric pressure chemical ionization. The current review highlights and critically assesses application of DART (and some related desorption/ionization techniques) coupled to various types of MS analyzers for both target and non-target analysis of complex food matrices. Based on existing studies, DART-MS is presented as a simple, high-throughput tool for:(i) qualitative confirmation of chemical identity; (ii) metabolomic fingerprinting/profiling; and, (iii) quantification of low-molecular-weight food components, including some trace organic contaminants. With regard to regulatory requirements, we mention practical aspects of DART-MS use, as well as performance characteristics that can be attained.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time coupled with dried spot sampling for bioanalysis in a drug-discovery setting.\n \n \n \n \n\n\n \n Crawford, E.; Gordon, J.; Wu, J.; Musselman, B.; Liu, R.; and Yu, S.\n\n\n \n\n\n\n Bioanalysis, 3(11): 1217–1226. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{crawford_direct_2011,\n\ttitle = {Direct analysis in real time coupled with dried spot sampling for bioanalysis in a drug-discovery setting},\n\tvolume = {3},\n\tissn = {1757-6180},\n\turl = {http://dx.doi.org/10.4155/bio.11.99},\n\tdoi = {10.4155/bio.11.99},\n\tabstract = {Background: Conventional mouse or rat pharmacokinetic/toxicokinetic (PK/TK) studies frequently require sacrifice or use of multiple animals for a full time-course in order to obtain adequate blood volume. Currently accepted LC–MS/MS analyses require tedious sample preparation and large blood volume, therefore, a bioanalytical method with a simpler blood-sampling procedure using fewer animals, lower sample volume and no additional sample preparation is desirable. Results: We have developed a method that combines the direct analysis in real time (DART) open-air ambient ionization source and MS/MS to directly analyze dried blood spots (DBS) on glass from low volume whole blood samples without additional sample preparation or manipulation of the spots. Single mouse serial bleeding was performed for sample collection for DART-MS/MS and the results were comparable to the conventional terminal bleeding method for LC–MS/MS. Conclusion: The DART-MS/MS method was applied to DBS sampling for PK/TK studies and also for in vitro screening of absorption, distribution, metabolism and excretion properties. The results from the DART-MS/MS approach correlated well with the LC–MS/MS analyses for comparison.},\n\tnumber = {11},\n\tjournal = {Bioanalysis},\n\tauthor = {Crawford, Elizabeth and Gordon, Justin and Wu, Jing-Tao and Musselman, Brian and Liu, Ray and Yu, Shaoxia},\n\tyear = {2011},\n\tpages = {1217--1226},\n}\n\n\n\n
\n
\n\n\n
\n Background: Conventional mouse or rat pharmacokinetic/toxicokinetic (PK/TK) studies frequently require sacrifice or use of multiple animals for a full time-course in order to obtain adequate blood volume. Currently accepted LC–MS/MS analyses require tedious sample preparation and large blood volume, therefore, a bioanalytical method with a simpler blood-sampling procedure using fewer animals, lower sample volume and no additional sample preparation is desirable. Results: We have developed a method that combines the direct analysis in real time (DART) open-air ambient ionization source and MS/MS to directly analyze dried blood spots (DBS) on glass from low volume whole blood samples without additional sample preparation or manipulation of the spots. Single mouse serial bleeding was performed for sample collection for DART-MS/MS and the results were comparable to the conventional terminal bleeding method for LC–MS/MS. Conclusion: The DART-MS/MS method was applied to DBS sampling for PK/TK studies and also for in vitro screening of absorption, distribution, metabolism and excretion properties. The results from the DART-MS/MS approach correlated well with the LC–MS/MS analyses for comparison.\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry employing a DART ion source for metabolomic fingerprinting/profiling: a powerful tool for beer origin recognition.\n \n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Metabolomics, 7(4): 500–508. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cajka_ambient_2011,\n\ttitle = {Ambient mass spectrometry employing a {DART} ion source for metabolomic fingerprinting/profiling: a powerful tool for beer origin recognition},\n\tvolume = {7},\n\tissn = {1573-3882},\n\turl = {http://dx.doi.org/10.1007/s11306-010-0266-z},\n\tdoi = {10.1007/s11306-010-0266-z},\n\tabstract = {A metabolomic fingerprinting/profiling generated by ambient mass spectrometry (MS) employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) was employed as a tool for beer origin recognition. In a first step, the DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in beer samples (direct measurement, no sample preparation). In the next step, metabolomic profiles (mass spectra) of a large set of different beer brands (Trappist and non-Trappist specialty beers) were acquired. In the final phase, the experimental data were analyzed using partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) with the aim of distinguishing (i) the beers labeled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. The best prediction ability was obtained for the model that distinguished the group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided ≥95\\% correct classification. The current study showed that DART–TOFMS metabolomic fingerprinting/profiling is a powerful analytical strategy enabling quality monitoring/authenticity assessment to be conducted in real time.},\n\tnumber = {4},\n\tjournal = {Metabolomics},\n\tauthor = {Cajka, Tomas and Riddellova, Katerina and Tomaniova, Monika and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {Beer; Authenticity; Traceability; Direct analysis in real time; Mass spectrometry; Multivariate analysis; Metabolomic fingerprinting/profiling; AccuTOF},\n\tpages = {500--508},\n}\n\n\n\n
\n
\n\n\n
\n A metabolomic fingerprinting/profiling generated by ambient mass spectrometry (MS) employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) was employed as a tool for beer origin recognition. In a first step, the DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in beer samples (direct measurement, no sample preparation). In the next step, metabolomic profiles (mass spectra) of a large set of different beer brands (Trappist and non-Trappist specialty beers) were acquired. In the final phase, the experimental data were analyzed using partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) with the aim of distinguishing (i) the beers labeled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. The best prediction ability was obtained for the model that distinguished the group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided ≥95% correct classification. The current study showed that DART–TOFMS metabolomic fingerprinting/profiling is a powerful analytical strategy enabling quality monitoring/authenticity assessment to be conducted in real time.\n
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\n \n\n \n \n \n \n \n \n Danshen extract does not alter pharmacokinetics of docetaxel and clopidogrel, reflecting its negligible potential in P-glycoprotein- and cytochrome P4503A-mediated herb–drug interactions.\n \n \n \n \n\n\n \n Lee, J. H.; Shin, Y.; Kim, H. J.; Oh, J.; Jang, Y. P.; and Lee, Y.\n\n\n \n\n\n\n International Journal of Pharmaceutics, 410(1-2): 68–74. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DanshenPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{lee_danshen_2011,\n\ttitle = {Danshen extract does not alter pharmacokinetics of docetaxel and clopidogrel, reflecting its negligible potential in {P}-glycoprotein- and cytochrome {P4503A}-mediated herb–drug interactions},\n\tvolume = {410},\n\turl = {http://dx.doi.org/10.1016/j.ijpharm.2011.03.031},\n\tabstract = {Danshen (Salvia miltiorrhiza) contains tanshinones, which inhibit P-glycoprotein (P-gp) and the cytochrome P450 (CYP) system. In the present study, we evaluated the possible pharmacokinetic interactions of Danshen extract with docetaxel and clopidogrel in rats. Docetaxel (5 mg/kg intravenously and 40 mg/kg orally) or clopidogrel (30 mg/kg orally) was administered to rats with or without oral co-administration of Danshen (400 mg/kg). Co-administration of Danshen did not affect the plasma concentration profiles and pharmacokinetic parameters of docetaxel and clopidogrel, whereas cyclosporine A, a P-gp and CYP3A inhibitor, significantly influenced the pharmacokinetics of co-administered docetaxel and clopidogrel. Orally administered Danshen had no substantial effect on the pharmacokinetics of docetaxel and clopidogrel, suggesting the negligible safety concern of Danshen in P-gp- and CYP3A-mediated interactions in vivo.},\n\tnumber = {1-2},\n\tjournal = {International Journal of Pharmaceutics},\n\tauthor = {Lee, Joo Hyun and Shin, Yong-Jun and Kim, Hye Jin and Oh, Ju-Hee and Jang, Young Pyo and Lee, Young-Joo},\n\tyear = {2011},\n\tkeywords = {Danshen; Docetaxel; Clopidogrel; Pharmacokinetic interaction; P-glycoprotein; Cytochrome P450 3A; AccuTOF},\n\tpages = {68--74},\n}\n\n\n\n
\n
\n\n\n
\n Danshen (Salvia miltiorrhiza) contains tanshinones, which inhibit P-glycoprotein (P-gp) and the cytochrome P450 (CYP) system. In the present study, we evaluated the possible pharmacokinetic interactions of Danshen extract with docetaxel and clopidogrel in rats. Docetaxel (5 mg/kg intravenously and 40 mg/kg orally) or clopidogrel (30 mg/kg orally) was administered to rats with or without oral co-administration of Danshen (400 mg/kg). Co-administration of Danshen did not affect the plasma concentration profiles and pharmacokinetic parameters of docetaxel and clopidogrel, whereas cyclosporine A, a P-gp and CYP3A inhibitor, significantly influenced the pharmacokinetics of co-administered docetaxel and clopidogrel. Orally administered Danshen had no substantial effect on the pharmacokinetics of docetaxel and clopidogrel, suggesting the negligible safety concern of Danshen in P-gp- and CYP3A-mediated interactions in vivo.\n
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\n \n\n \n \n \n \n \n Simple and Rapid Screening for Methamphetamine and 3,4-Methylene- dioxymethamphetamine (MDMA) and Their Metabolites in Urine Using Direct Analysis in Real Time (DART)-TOFMS.\n \n \n \n\n\n \n Kawamura, M.; Kikura-Hanajiri, R.; and Goda, Y.\n\n\n \n\n\n\n Yakugaku Zasshi, 131(5): 827–833. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{kawamura_simple_2011,\n\ttitle = {Simple and {Rapid} {Screening} for {Methamphetamine} and 3,4-{Methylene}- dioxymethamphetamine ({MDMA}) and {Their} {Metabolites} in {Urine} {Using} {Direct} {Analysis} in {Real} {Time} ({DART})-{TOFMS}},\n\tvolume = {131},\n\tdoi = {10.1248/yakushi.131.827},\n\tabstract = {An ionization technique, direct analysis in real time (DART) has recently been developed for the ambient ionization of a variety samples. The DART coupled with time-of-flight mass spectrometry (TOFMS) would be useful as a simple and rapid screening for the targeted compounds in various samples, because it provides the molecular information of these compounds without time-consuming extraction. In this study, we investigated rapid screening methods of illicit drugs and their metabolites, such as methamphetamine (MA), 3,4-methylenedioxymethamphetamine (MDMA), amphetamine (AP) and 3,4-methylenedioxyamphetamine (MDA) in human urine using DART-TOFMS. As serious matrix effects caused by urea in urine samples and ionizations of the targeted compounds were greatly suppressed in the DART-TOFMS analyses, simple pretreatment methods to remove the urea from the samples were investigated. When a pipette tip-type solid-phase extraction with a dichloromethane and isopropanol mixed solution as an eluent was used for the pretreatment, the limits of detection (LODs) of 4 compounds added to control urine samples were 0.25 μg/ml. On the other hand, the LODs of these compounds were 0.5 μg/ml by a liquid-liquid extraction using a dichloromethane and hexane mixed solution. In both extractions, the recoveries of 4 compounds from urine samples were over 70\\% and these extraction methods showed good linearity in the range of 0.5-5 μg/ml by GC-MS analyses. In conclusion, our proposed method using DART-TOFMS could simultaneously detect MA, MDMA and their metabolites in urine at 0.5 μg/ml without time-consuming pretreatment steps. Therefore it would be useful for screening drugs in urine with the molecular information.},\n\tnumber = {5},\n\tjournal = {Yakugaku Zasshi},\n\tauthor = {Kawamura, M. and Kikura-Hanajiri, R. and Goda, Y.},\n\tyear = {2011},\n\tkeywords = {direct analysis in real time; methamphetamine; 3,4-methylenedioxymethamphetamine; urine; time-of-flight mass spectrometry; AccuTOF},\n\tpages = {827--833},\n}\n\n\n\n
\n
\n\n\n
\n An ionization technique, direct analysis in real time (DART) has recently been developed for the ambient ionization of a variety samples. The DART coupled with time-of-flight mass spectrometry (TOFMS) would be useful as a simple and rapid screening for the targeted compounds in various samples, because it provides the molecular information of these compounds without time-consuming extraction. In this study, we investigated rapid screening methods of illicit drugs and their metabolites, such as methamphetamine (MA), 3,4-methylenedioxymethamphetamine (MDMA), amphetamine (AP) and 3,4-methylenedioxyamphetamine (MDA) in human urine using DART-TOFMS. As serious matrix effects caused by urea in urine samples and ionizations of the targeted compounds were greatly suppressed in the DART-TOFMS analyses, simple pretreatment methods to remove the urea from the samples were investigated. When a pipette tip-type solid-phase extraction with a dichloromethane and isopropanol mixed solution as an eluent was used for the pretreatment, the limits of detection (LODs) of 4 compounds added to control urine samples were 0.25 μg/ml. On the other hand, the LODs of these compounds were 0.5 μg/ml by a liquid-liquid extraction using a dichloromethane and hexane mixed solution. In both extractions, the recoveries of 4 compounds from urine samples were over 70% and these extraction methods showed good linearity in the range of 0.5-5 μg/ml by GC-MS analyses. In conclusion, our proposed method using DART-TOFMS could simultaneously detect MA, MDMA and their metabolites in urine at 0.5 μg/ml without time-consuming pretreatment steps. Therefore it would be useful for screening drugs in urine with the molecular information.\n
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\n \n\n \n \n \n \n \n Ambient ionization mass spectrometry: A tutorial.\n \n \n \n\n\n \n Huang, M.; Cheng, S.; Cho, Y.; and Shiea, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 702(1): 1–15. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{huang_ambient_2011,\n\ttitle = {Ambient ionization mass spectrometry: {A} tutorial},\n\tvolume = {702},\n\tabstract = {Ambient ionization is a set of mass spectrometric ionization techniques performed under ambient conditions that allows the direct analysis of sample surfaces with little or no sample pretreatment. Using combinations of different types of sample introduction systems and ionization methods, several novel techniques have been developed over the last few years with many applications (e.g., food safety screening; detection of pharmaceuticals and drug abuse; monitoring of environmental pollutants; detection of explosives for antiterrorism and forensics; characterization of biological compounds for proteomics and metabolomics; molecular imaging analysis; and monitoring chemical and biochemical reactions). Electrospray ionization and atmospheric pressure chemical ionization are the two main ionization principles most commonly used in ambient ionization mass spectrometry. This tutorial paper provides a review of the publications related to ambient ionization techniques. We describe and compare the underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques.},\n\tnumber = {1},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Huang, Min-Zong and Cheng, Sy-Chi and Cho, Yi-Tzu and Shiea, Jentaie},\n\tyear = {2011},\n\tkeywords = {review; Ambient; Desorption/ionization; Two-step ionization; Electrospray ionization; Atmospheric pressure chemical ionization},\n\tpages = {1--15},\n}\n\n\n\n
\n
\n\n\n
\n Ambient ionization is a set of mass spectrometric ionization techniques performed under ambient conditions that allows the direct analysis of sample surfaces with little or no sample pretreatment. Using combinations of different types of sample introduction systems and ionization methods, several novel techniques have been developed over the last few years with many applications (e.g., food safety screening; detection of pharmaceuticals and drug abuse; monitoring of environmental pollutants; detection of explosives for antiterrorism and forensics; characterization of biological compounds for proteomics and metabolomics; molecular imaging analysis; and monitoring chemical and biochemical reactions). Electrospray ionization and atmospheric pressure chemical ionization are the two main ionization principles most commonly used in ambient ionization mass spectrometry. This tutorial paper provides a review of the publications related to ambient ionization techniques. We describe and compare the underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques.\n
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\n \n\n \n \n \n \n \n \n Precursors and Formation of Pyrithione and Other Pyridyl-Containing Sulfur Compounds in Drumstick Onion, Allium stipitatum.\n \n \n \n \n\n\n \n Kubec, R.; Krejčová, P.; Šimek, P.; Václavík, L.; Hajšlová, J.; and Schraml, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(10): 5763–5770. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PrecursorsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kubec_precursors_2011,\n\ttitle = {Precursors and {Formation} of {Pyrithione} and {Other} {Pyridyl}-{Containing} {Sulfur} {Compounds} in {Drumstick} {Onion}, {Allium} stipitatum},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf200704n},\n\tdoi = {10.1021/jf200704n},\n\tabstract = {Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.\nTwo novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.},\n\tnumber = {10},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Kubec, Roman and Krejčová, Petra and Šimek, Petr and Václavík, Lukáš and Hajšlová, Jana and Schraml, Jan},\n\tyear = {2011},\n\tkeywords = {Allium stipitatum; S-(2-pyridyl)cysteine N-oxide; marasmin; sulfenic acid; DART-MS; pyrithione; AccuTOF},\n\tpages = {5763--5770},\n}\n\n\n\n
\n
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\n Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product. Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.\n
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\n \n\n \n \n \n \n \n \n Utilizing DART Mass Spectrometry to Pinpoint Halogenated Metabolites from a Marine Invertebrate-Derived Fungus.\n \n \n \n \n\n\n \n Watts, K. R.; Loveridge, S. T.; Tenney, K.; Media, J.; Valeriote, F. A.; and Crews, P.\n\n\n \n\n\n\n The Journal of Organic Chemistry, 76(15): 6201–6208. August 2011.\n \n\n\n\n
\n\n\n\n \n \n \"UtilizingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{watts_utilizing_2011,\n\ttitle = {Utilizing {DART} {Mass} {Spectrometry} to {Pinpoint} {Halogenated} {Metabolites} from a {Marine} {Invertebrate}-{Derived} {Fungus}},\n\tvolume = {76},\n\tissn = {0022-3263, 1520-6904},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/jo2009593},\n\tdoi = {10.1021/jo2009593},\n\tabstract = {Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using direct analysis in real time (DART) mass spectrometry, these compounds were initially detected from hyphae of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogues, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.},\n\tlanguage = {en},\n\tnumber = {15},\n\turldate = {2016-07-19},\n\tjournal = {The Journal of Organic Chemistry},\n\tauthor = {Watts, Katharine R. and Loveridge, Steven T. and Tenney, Karen and Media, Joseph and Valeriote, Frederick A. and Crews, Phillip},\n\tmonth = aug,\n\tyear = {2011},\n\tpages = {6201--6208},\n}\n\n\n\n
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\n Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using direct analysis in real time (DART) mass spectrometry, these compounds were initially detected from hyphae of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogues, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.\n
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\n \n\n \n \n \n \n \n \n Rapid screening for synthetic antidiabetic drug adulteration in herbal dietary supplements using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Zhou, Z.; Zhang, J.; Zhang, W.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analyst, 136(12): 2613–2618. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhou_rapid_2011,\n\ttitle = {Rapid screening for synthetic antidiabetic drug adulteration in herbal dietary supplements using direct analysis in real time mass spectrometry},\n\tvolume = {136},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C0AN01047B},\n\tabstract = {Adulteration of herbal supplements with synthetic drugs is illegal. A rapid and reliable method which utilizes direct analysis in real time mass spectrometry (DART-MS) was developed for the identification of seven synthetic antidiabetic drugs used as adulterants in herbal dietary supplements. The supplement sample was simply extracted with methanol/water by manually shaking several times and directly analyzed using DART-MS. The presence of synthetic drug adulterants was confirmed through the accurate m/z values and MS/MS data obtained via quadruple time of flight mass spectrometry (QTOF MS). Parameters for the DART source were systematically optimized, and the limits of detection (LODs) in herbal supplement matrices were measured. This method was successfully applied to examine five commercial herbal dietary supplements, and two of them proved to be adulterated with metformin without labeling.},\n\tnumber = {12},\n\tjournal = {Analyst},\n\tauthor = {Zhou, Zhigui and Zhang, Jialing and Zhang, Wei and Bai, Yu and Liu, Huwei},\n\tyear = {2011},\n\tpages = {2613--2618},\n}\n\n\n\n
\n
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\n Adulteration of herbal supplements with synthetic drugs is illegal. A rapid and reliable method which utilizes direct analysis in real time mass spectrometry (DART-MS) was developed for the identification of seven synthetic antidiabetic drugs used as adulterants in herbal dietary supplements. The supplement sample was simply extracted with methanol/water by manually shaking several times and directly analyzed using DART-MS. The presence of synthetic drug adulterants was confirmed through the accurate m/z values and MS/MS data obtained via quadruple time of flight mass spectrometry (QTOF MS). Parameters for the DART source were systematically optimized, and the limits of detection (LODs) in herbal supplement matrices were measured. This method was successfully applied to examine five commercial herbal dietary supplements, and two of them proved to be adulterated with metformin without labeling.\n
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\n \n\n \n \n \n \n \n \n Versatile Method for the Detection of Covalently Bound Substrates on Solid Supports by DART Mass Spectrometry.\n \n \n \n \n\n\n \n Sanchez, L. M.; Curtis, M. E.; Bracamonte, B. E.; Kurita, K. L.; Navarro, G.; Sparkman, O. D.; and Linington, R. G.\n\n\n \n\n\n\n Organic Letters, 13(15): 3770–3773. June 2011.\n \n\n\n\n
\n\n\n\n \n \n \"VersatilePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sanchez_versatile_2011,\n\ttitle = {Versatile {Method} for the {Detection} of {Covalently} {Bound} {Substrates} on {Solid} {Supports} by {DART} {Mass} {Spectrometry}},\n\tvolume = {13},\n\tissn = {1523-7060},\n\turl = {http://dx.doi.org/10.1021/ol201404v},\n\tdoi = {10.1021/ol201404v},\n\tabstract = {Analysis of substrates directly on solid phase resins without the need for separate cleavage conditions remains an outstanding challenge in the field of solid phase synthesis. We now present the first example of simultaneous cleavage and mass spectrometric analysis of peptides from solid supports using direct analysis in real time (DART) mass spectrometry. We have shown that this method is compatible with a diverse array of solid phase resins and is suitable for analysis of both peptides and organic substrates.},\n\tnumber = {15},\n\turldate = {2013-06-05},\n\tjournal = {Organic Letters},\n\tauthor = {Sanchez, Laura M. and Curtis, Matthew E. and Bracamonte, Bianca E. and Kurita, Kenji L. and Navarro, Gabriel and Sparkman, O. David and Linington, Roger G.},\n\tmonth = jun,\n\tyear = {2011},\n\tpages = {3770--3773},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Analysis of substrates directly on solid phase resins without the need for separate cleavage conditions remains an outstanding challenge in the field of solid phase synthesis. We now present the first example of simultaneous cleavage and mass spectrometric analysis of peptides from solid supports using direct analysis in real time (DART) mass spectrometry. We have shown that this method is compatible with a diverse array of solid phase resins and is suitable for analysis of both peptides and organic substrates.\n
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\n \n\n \n \n \n \n \n \n Allium Discoloration: The Precursor and Formation of the Red Pigment in Giant Onion (Allium giganteum Regel) and Some Other Subgenus Melanocrommyum Species.\n \n \n \n \n\n\n \n Kučerová, P.; Kubec, R.; Šimek, P.; Václavík, L.; and Schraml, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(5): 1821–1828. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AlliumPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kucerova_allium_2011,\n\ttitle = {Allium {Discoloration}: {The} {Precursor} and {Formation} of the {Red} {Pigment} in {Giant} {Onion} ({Allium} giganteum {Regel}) and {Some} {Other} {Subgenus} {Melanocrommyum} {Species}},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf104195k},\n\tdoi = {10.1021/jf104195k},\n\tabstract = {The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).\nThe precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).},\n\tnumber = {5},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Kučerová, Petra and Kubec, Roman and Šimek, Petr and Václavík, Lukáš and Schraml, Jan},\n\tyear = {2011},\n\tkeywords = {S-(2-pyrrolyl)cysteine S-oxide; S-(3-pyrrolyl)cysteine S-oxide; giant onion; Allium giganteum; Melanocrommyum; discoloration; thiosulfinate; pigment; LC−NMR; DART-MS; sulfenic acid; non-protein amino acid; AccuTOF},\n\tpages = {1821--1828},\n}\n\n\n\n
\n
\n\n\n
\n The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa). The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).\n
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\n \n\n \n \n \n \n \n \n Microwave-Assisted Solution-Phase Synthesis and DART-Mass Spectrometric Monitoring of a Combinatorial Library of Indolin-2,3-dione Schiff Bases with Potential Antimycobacterial Activity.\n \n \n \n \n\n\n \n Aboul-Fadl, T.; Abdel-Aziz, H. A; Kadi, A.; Ahmad, P.; Elsaman, T.; Attwa, M. W; and Darwish, I. A\n\n\n \n\n\n\n Molecules, 16(6): 5194–5206. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"Microwave-AssistedPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{aboul-fadl_microwave-assisted_2011,\n\ttitle = {Microwave-{Assisted} {Solution}-{Phase} {Synthesis} and {DART}-{Mass} {Spectrometric} {Monitoring} of a {Combinatorial} {Library} of {Indolin}-2,3-dione {Schiff} {Bases} with {Potential} {Antimycobacterial} {Activity}},\n\tvolume = {16},\n\turl = {http://www.mdpi.com/1420-3049/16/6/5194/},\n\tabstract = {A combinatorial library composed of eleven hydrazides A-K and eleven indolin-1,2-dione derivatives 1-11 has been designed to formally generate sublibraries of 22 mixtures, M1-M22 comprising of 121 Schiff bases, A-K(1-11). The designed library has been synthesized by the solution-phase method and microwave-assisted synthetic techniques. The formation of individual compounds of each mixture was confirmed by Direct Analysis in Real Time (DART) as ionization technique connected to an Ion Trap as a mass detector. The synthesized mixtures were evaluated for their antimycobacterial activity against four Mycobacterium strains; M. intercellulari, M. xenopi, M. cheleneoi and M. smegmatis. Variable antimycobacterial activity was revealed with the investigated mixtures and maximum activity was shown by M8, M10, M11, and M15 with MIC values of 1.5, 3.1, 6.2 and 0.09 μg/mL, respectively. Application of the indexed method of analysis on these active mixtures revealed that compounds D8, D10 and D11 may contribute to the activity of the tested mixtures.},\n\tnumber = {6},\n\tjournal = {Molecules},\n\tauthor = {Aboul-Fadl, Tarek and Abdel-Aziz, Hatem A and Kadi, Adnan and Ahmad, Pervez and Elsaman, Tilal and Attwa, Mohamed W and Darwish, Ibrahim A},\n\tyear = {2011},\n\tpages = {5194--5206},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n A combinatorial library composed of eleven hydrazides A-K and eleven indolin-1,2-dione derivatives 1-11 has been designed to formally generate sublibraries of 22 mixtures, M1-M22 comprising of 121 Schiff bases, A-K(1-11). The designed library has been synthesized by the solution-phase method and microwave-assisted synthetic techniques. The formation of individual compounds of each mixture was confirmed by Direct Analysis in Real Time (DART) as ionization technique connected to an Ion Trap as a mass detector. The synthesized mixtures were evaluated for their antimycobacterial activity against four Mycobacterium strains; M. intercellulari, M. xenopi, M. cheleneoi and M. smegmatis. Variable antimycobacterial activity was revealed with the investigated mixtures and maximum activity was shown by M8, M10, M11, and M15 with MIC values of 1.5, 3.1, 6.2 and 0.09 μg/mL, respectively. Application of the indexed method of analysis on these active mixtures revealed that compounds D8, D10 and D11 may contribute to the activity of the tested mixtures.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry and its applications in chemical analysis.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Morlock, G. E.; and Revelsky, I. A.\n\n\n \n\n\n\n Russian Chemical Reviews, 80(3): 235. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_dart_2011,\n\ttitle = {{DART} mass spectrometry and its applications in chemical analysis},\n\tvolume = {80},\n\turl = {http://stacks.iop.org/0036-021X/80/i=3/a=R03},\n\tabstract = {Published data on the fundamental and applied aspects of DART mass spectrometry are surveyed. The DART ionization principles and the key parameters affecting the analytical characteristics of the method and the mass spectra of the determined compounds are considered. The advantages and drawbacks of DART mass spectrometry are discussed and the existing and prospective applications are outlined.},\n\tnumber = {3},\n\tjournal = {Russian Chemical Reviews},\n\tauthor = {Chernetsova, Elena S. and Morlock, G. E. and Revelsky, Igor A.},\n\tyear = {2011},\n\tkeywords = {review},\n\tpages = {235},\n}\n\n\n\n
\n
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\n Published data on the fundamental and applied aspects of DART mass spectrometry are surveyed. The DART ionization principles and the key parameters affecting the analytical characteristics of the method and the mass spectra of the determined compounds are considered. The advantages and drawbacks of DART mass spectrometry are discussed and the existing and prospective applications are outlined.\n
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\n \n\n \n \n \n \n \n \n A rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by direct analysis in real-time mass spectrometry.\n \n \n \n \n\n\n \n Kim, S. W.; Kim, H. J.; Kim, J. H.; Kwon, Y. K.; Ahn, M. S.; Jang, Y. P.; and Liu, J. R\n\n\n \n\n\n\n Plant Methods, 7(1): 1–10. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_rapid_2011,\n\ttitle = {A rapid, simple method for the genetic discrimination of intact {Arabidopsis} thaliana mutant seeds using metabolic profiling by direct analysis in real-time mass spectrometry},\n\tvolume = {7},\n\tissn = {1746-4811},\n\turl = {http://www.plantmethods.com/content/7/1/14},\n\tdoi = {10.1186/1746-4811-7-14},\n\tabstract = {Background  \nEfficient high throughput screening systems of useful mutants are prerequisite for study of plant functional genomics and lots of application fields. Advance in such screening tools, thanks to the development of analytic instruments. Direct analysis in real-time (DART)-mass spectrometry (MS) by ionization of complex materials at atmospheric pressure is a rapid, simple, high-resolution analytical technique. Here we describe a rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by DART-MS.\n\nResults  \nTo determine whether this DART-MS combined by multivariate analysis can perform genetic discrimination based on global metabolic profiling, intact Arabidopsis thaliana mutant seeds were subjected to DART-MS without any sample preparation. Partial least squares-discriminant analysis (PLS-DA) of DART-MS spectral data from intact seeds classified 14 different lines of seeds into two distinct groups: Columbia (Col-0) and Landsberg erecta (Ler) ecotype backgrounds. A hierarchical dendrogram based on partial least squares-discriminant analysis (PLS-DA) subdivided the Col-0 ecotype into two groups: mutant lines harboring defects in the phenylpropanoid biosynthetic pathway and mutants without these defects. These results indicated that metabolic profiling with DART-MS could discriminate intact Arabidopsis seeds at least ecotype level and metabolic pathway level within same ecotype.\n\nConclusion  \nThe described DART-MS combined by multivariate analysis allows for rapid screening and metabolic characterization of lots of Arabidopsis mutant seeds without complex metabolic preparation steps. Moreover, potential novel metabolic markers can be detected and used to clarify the genetic relationship between Arabidopsis cultivars. Furthermore this technique can be applied to predict the novel gene function of metabolic mutants regardless of morphological phenotypes.},\n\tnumber = {1},\n\tjournal = {Plant Methods},\n\tauthor = {Kim, Suk Weon and Kim, Hye Jin and Kim, Jong Hyun and Kwon, Yong Kook and Ahn, Myung Suk and Jang, Young Pyo and Liu, Jang R},\n\tyear = {2011},\n\tkeywords = {Arabidopsis thaliana; Direct analysis in real-time mass spectrometry (DART-MS); partial least squares-discriminant analysis (PLS-DA); seed; AccuTOF},\n\tpages = {1--10},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n Background Efficient high throughput screening systems of useful mutants are prerequisite for study of plant functional genomics and lots of application fields. Advance in such screening tools, thanks to the development of analytic instruments. Direct analysis in real-time (DART)-mass spectrometry (MS) by ionization of complex materials at atmospheric pressure is a rapid, simple, high-resolution analytical technique. Here we describe a rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by DART-MS. Results To determine whether this DART-MS combined by multivariate analysis can perform genetic discrimination based on global metabolic profiling, intact Arabidopsis thaliana mutant seeds were subjected to DART-MS without any sample preparation. Partial least squares-discriminant analysis (PLS-DA) of DART-MS spectral data from intact seeds classified 14 different lines of seeds into two distinct groups: Columbia (Col-0) and Landsberg erecta (Ler) ecotype backgrounds. A hierarchical dendrogram based on partial least squares-discriminant analysis (PLS-DA) subdivided the Col-0 ecotype into two groups: mutant lines harboring defects in the phenylpropanoid biosynthetic pathway and mutants without these defects. These results indicated that metabolic profiling with DART-MS could discriminate intact Arabidopsis seeds at least ecotype level and metabolic pathway level within same ecotype. Conclusion The described DART-MS combined by multivariate analysis allows for rapid screening and metabolic characterization of lots of Arabidopsis mutant seeds without complex metabolic preparation steps. Moreover, potential novel metabolic markers can be detected and used to clarify the genetic relationship between Arabidopsis cultivars. Furthermore this technique can be applied to predict the novel gene function of metabolic mutants regardless of morphological phenotypes.\n
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\n \n\n \n \n \n \n \n \n Identification and semi-quantitative analysis of parabens and UV filters in cosmetic products by direct-analysis-in-real-time mass spectrometry and gas chromatography with mass spectrometric detection.\n \n \n \n \n\n\n \n Haunschmidt, M.; Buchberger, W.; Klampfl, C. W.; and Hertsens, R.\n\n\n \n\n\n\n Anal. Methods, 3(1): 99–104. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{haunschmidt_identification_2011,\n\ttitle = {Identification and semi-quantitative analysis of parabens and {UV} filters in cosmetic products by direct-analysis-in-real-time mass spectrometry and gas chromatography with mass spectrometric detection},\n\tvolume = {3},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C0AY00588F},\n\tabstract = {A method based on direct-analysis-in-real-time mass spectrometry (DART-MS) for the qualitative and semi-quantitative analysis of eight organic UV filters and four parabens in twelve cosmetic products with substantially different formulations (as cream, milk, lotion, oil, lipstick) was developed. All tested substances could be identified unambiguously in the investigated samples without any sample pre-treatment. Direct analysis of cosmetic products allows semi-quantitative determination of parabens. For UV filters no satisfactory results were obtained by direct analysis but all analytes could be quantified by simply dissolving the samples in methanol, addition of an internal standard and subsequent measurement of the solution by DART-MS without further pre-treatment. The results obtained using DART-MS were confirmed by a more established method namely gas chromatography with mass spectrometric detection (GC-MS).},\n\tnumber = {1},\n\tjournal = {Anal. Methods},\n\tauthor = {Haunschmidt, Manuela and Buchberger, Wolfgang and Klampfl, Christian W. and Hertsens, Robert},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {99--104},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n A method based on direct-analysis-in-real-time mass spectrometry (DART-MS) for the qualitative and semi-quantitative analysis of eight organic UV filters and four parabens in twelve cosmetic products with substantially different formulations (as cream, milk, lotion, oil, lipstick) was developed. All tested substances could be identified unambiguously in the investigated samples without any sample pre-treatment. Direct analysis of cosmetic products allows semi-quantitative determination of parabens. For UV filters no satisfactory results were obtained by direct analysis but all analytes could be quantified by simply dissolving the samples in methanol, addition of an internal standard and subsequent measurement of the solution by DART-MS without further pre-treatment. The results obtained using DART-MS were confirmed by a more established method namely gas chromatography with mass spectrometric detection (GC-MS).\n
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\n \n\n \n \n \n \n \n \n Rapid identification and absence of drug tests for AG-013736 in 1 mg Axitinib tablets by ion mobility spectrometry and DART™ mass spectrometry.\n \n \n \n \n\n\n \n Likar, M. D.; Cheng, G.; Mahajan, N.; and Zhang, Z.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 55(3): 569–573. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{likar_rapid_2011,\n\ttitle = {Rapid identification and absence of drug tests for {AG}-013736 in 1 mg {Axitinib} tablets by ion mobility spectrometry and {DART}™ mass spectrometry},\n\tvolume = {55},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708511001099},\n\tdoi = {10.1016/j.jpba.2011.02.021},\n\tabstract = {Axitinib (AG-013736) is a potent investigational drug that has antitumor activity in patients with metastatic renal cell carcinoma and other types of cancers. In this study, ion mobility spectrometry and “direct analysis in real time” (DART™) mass spectrometry were used to rapidly identify AG-013736 in drug substance samples and 1\\&\\#xa0;mg Axitinib tablets. The plasmagrams of the sample solutions exhibited a major peak with a reduced ion mobility that was within ±0.0002\\&\\#xa0;cm2\\&\\#xa0;V−1\\&\\#xa0;s−1 of that for AG-013736 in an external reference standard solution. The DART ionization source was coupled with both a time-of-flight mass spectrometer and a lower-resolution ion trap mass spectrometer. Samples were analyzed by this technique in as little as 5\\&\\#xa0;s with minimal to no sample preparation required. The isotopic masses of the protonated dimer ions of AG-013736 were used to identify AG-013736 in the active tablet. Both techniques were also used to develop low-level limit tests for rapidly verifying the presence or absence of AG-013736 in blinded clinical supplies of active and matching placebo tablets of Axitinib.},\n\tnumber = {3},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Likar, Michael D. and Cheng, Guilong and Mahajan, Nidhi and Zhang, Zhongli},\n\tyear = {2011},\n\tkeywords = {Axitinib, Direct analysis in real time, Ion mobility spectrometry, Ion mobility spectrometry; Direct analysis in real time; Mass spectrometry; Axitinib; AccuTOF, mass spectrometry},\n\tpages = {569--573},\n}\n\n\n\n
\n
\n\n\n
\n Axitinib (AG-013736) is a potent investigational drug that has antitumor activity in patients with metastatic renal cell carcinoma and other types of cancers. In this study, ion mobility spectrometry and “direct analysis in real time” (DART™) mass spectrometry were used to rapidly identify AG-013736 in drug substance samples and 1 mg Axitinib tablets. The plasmagrams of the sample solutions exhibited a major peak with a reduced ion mobility that was within ±0.0002 cm2 V−1 s−1 of that for AG-013736 in an external reference standard solution. The DART ionization source was coupled with both a time-of-flight mass spectrometer and a lower-resolution ion trap mass spectrometer. Samples were analyzed by this technique in as little as 5 s with minimal to no sample preparation required. The isotopic masses of the protonated dimer ions of AG-013736 were used to identify AG-013736 in the active tablet. Both techniques were also used to develop low-level limit tests for rapidly verifying the presence or absence of AG-013736 in blinded clinical supplies of active and matching placebo tablets of Axitinib.\n
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\n \n\n \n \n \n \n \n \n New approach to detecting counterfeit drugs in tablets by DART mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E.; Bochkov, P.; Zatonskii, G.; and Abramovich, R.\n\n\n \n\n\n\n Pharmaceutical Chemistry Journal, 45(5): 306–308. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"NewPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_new_2011,\n\ttitle = {New approach to detecting counterfeit drugs in tablets by {DART} mass spectrometry},\n\tvolume = {45},\n\tissn = {0091-150X},\n\turl = {http://dx.doi.org/10.1007/s11094-011-0622-y},\n\tabstract = {The possibility of using DART mass spectrometry for the identification of active ingredients in tableted drugs has been studied. Analytical results for some drugs such as glycin, nootropyl, anaprilin, mexidol, and biseptol are presented. The benefits and limitations of DART mass spectrometry as applied to fast screening of tableted pharmaceuticals for detecting counterfeits are discussed.},\n\tnumber = {5},\n\tjournal = {Pharmaceutical Chemistry Journal},\n\tauthor = {Chernetsova, E. and Bochkov, P. and Zatonskii, G. and Abramovich, R.},\n\tyear = {2011},\n\tpages = {306--308},\n}\n\n\n\n
\n
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\n The possibility of using DART mass spectrometry for the identification of active ingredients in tableted drugs has been studied. Analytical results for some drugs such as glycin, nootropyl, anaprilin, mexidol, and biseptol are presented. The benefits and limitations of DART mass spectrometry as applied to fast screening of tableted pharmaceuticals for detecting counterfeits are discussed.\n
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\n \n\n \n \n \n \n \n \n Qualitative Analysis of Tackifier Resins in Pressure Sensitive Adhesives Using Direct Analysis in Real Time Time-of-Flight Mass Spectrometry.\n \n \n \n \n\n\n \n Mess, A.; Vietzke, J.; Rapp, C.; and Francke, W.\n\n\n \n\n\n\n Anal. Chem., 83(19): 7323–7330. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"QualitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{mess_qualitative_2011,\n\ttitle = {Qualitative {Analysis} of {Tackifier} {Resins} in {Pressure} {Sensitive} {Adhesives} {Using} {Direct} {Analysis} in {Real} {Time} {Time}-of-{Flight} {Mass} {Spectrometry}},\n\tvolume = {83},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac2011608},\n\tdoi = {10.1021/ac2011608},\n\tabstract = {Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1\\% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.\nTackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1\\% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.},\n\tnumber = {19},\n\tjournal = {Anal. Chem.},\n\tauthor = {Mess, Aylin and Vietzke, Jens-Peter and Rapp, Claudius and Francke, Wittko},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {7323--7330},\n}\n\n\n\n
\n
\n\n\n
\n Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs. Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.\n
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\n \n\n \n \n \n \n \n \n Authentication of Animal Fats Using Direct Analysis in Real Time (DART) Ionization−Mass Spectrometry and Chemometric Tools.\n \n \n \n \n\n\n \n Vaclavik, L.; Hrbek, V.; Cajka, T.; Rohlik, B.; Pipek, P.; and Hajslova, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(11): 5919–5926. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AuthenticationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_authentication_2011,\n\ttitle = {Authentication of {Animal} {Fats} {Using} {Direct} {Analysis} in {Real} {Time} ({DART}) {Ionization}−{Mass} {Spectrometry} and {Chemometric} {Tools}},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf200734x},\n\tdoi = {10.1021/jf200734x},\n\tabstract = {A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10\\% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10\\% pork added to beef and vice versa was possible.\nA combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10\\% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10\\% pork added to beef and vice versa was possible.},\n\tnumber = {11},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Vaclavik, Lukas and Hrbek, Vojtech and Cajka, Tomas and Rohlik, Bo-Anne and Pipek, Petr and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {animal fat; meat; adulteration; direct analysis in real time; mass spectrometry; multivariate analysis; AccuTOF},\n\tpages = {5919--5926},\n}\n\n\n\n\n\n\n\n
\n
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\n A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10% pork added to beef and vice versa was possible. A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10% pork added to beef and vice versa was possible.\n
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\n \n\n \n \n \n \n \n Utilizing DART Mass Spectrometry to Pinpoint Halogenated Metabolites from a Marine Invertebrate-Derived Fungus.\n \n \n \n\n\n \n Watts, K. R.; Loveridge, S. T.; Tenney, K.; Media, J.; Valeriote, F. A.; and Crews, P.\n\n\n \n\n\n\n Journal of Organic Chemistry, 76(15): 6201–6208. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{watts_utilizing_2011,\n\ttitle = {Utilizing {DART} {Mass} {Spectrometry} to {Pinpoint} {Halogenated} {Metabolites} from a {Marine} {Invertebrate}-{Derived} {Fungus}},\n\tvolume = {76},\n\tabstract = {Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using Direct Analysis in\nReal Time (DART) Mass Spectrometry, these compounds were initially detected from spores of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogs, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.},\n\tnumber = {15},\n\tjournal = {Journal of Organic Chemistry},\n\tauthor = {Watts, Katharine R. and Loveridge, Steven T. and Tenney, Karen and Media, Joseph and Valeriote, Frederick A. and Crews, Phillip},\n\tyear = {2011},\n\tpages = {6201--6208},\n}\n\n\n\n
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\n Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using Direct Analysis in Real Time (DART) Mass Spectrometry, these compounds were initially detected from spores of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogs, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.\n
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\n \n\n \n \n \n \n \n \n High-performance liquid chromatography coupled to direct analysis in real time mass spectrometry: Investigations on gradient elution and influence of complex matrices on signal intensities.\n \n \n \n \n\n\n \n Beißmann, S.; Buchberger, W.; Hertsens, R.; and Klampfl, C. W.\n\n\n \n\n\n\n Journal of Chromatography A, 1218(31): 5180–5186. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"High-performancePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
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@article{beismann_high-performance_2011,\n\ttitle = {High-performance liquid chromatography coupled to direct analysis in real time mass spectrometry: {Investigations} on gradient elution and influence of complex matrices on signal intensities},\n\tvolume = {1218},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967311007692},\n\tdoi = {10.1016/j.chroma.2011.05.092},\n\tnumber = {31},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Beißmann, Susanne and Buchberger, Wolfgang and Hertsens, Robert and Klampfl, Christian W.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time, HPLC, Hyphenated methods},\n\tpages = {5180--5186},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Evaluation of direct analysis in real time mass spectrometry for onsite monitoring of batch slurry reactions.\n \n \n \n \n\n\n \n Cho, D. S.; Gibson, S. C.; Bhandari, D.; McNally, M. E.; Hoffman, R. M.; Cook, K. D.; and Song, L.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(23): 3575–3580. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cho_evaluation_2011,\n\ttitle = {Evaluation of direct analysis in real time mass spectrometry for onsite monitoring of batch slurry reactions},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5269},\n\tdoi = {10.1002/rcm.5269},\n\tabstract = {Batch slurry reactions are widely used in the industrial manufacturing of chemicals, pharmaceuticals, petrochemicals and polymers. However, onsite monitoring of batch slurry reactions is still not feasible in production plants due to the challenge in analyzing heterogeneous samples without complicated sample preparation procedures. In this study, direct analysis in real time mass spectrometry (DART-MS) has been evaluated for the onsite monitoring of a model batch slurry reaction. The results suggested that automation of the sampling process of DART-MS is important to achieve quantitative results. With a sampling technique of manual sample deposition on melting point capillaries followed by automatic sample introduction across the helium beam, relative standard deviation (RSD) of the protonated molecule signals from the reaction product of the model batch slurry reaction ranged from 6 to 30\\%. This RSD range is improved greatly over a sampling technique of manual sample deposition followed by manual sample introduction where the RSDs are up to 110\\%. Furthermore, with the semi-automated sampling approach, semi-quantitative analysis of slurry samples has been achieved. Better quantification is expected with a fully automated sampling approach. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {23},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Cho, David S. and Gibson, Stephen C. and Bhandari, Deepak and McNally, Mary Ellen and Hoffman, Ron M. and Cook, Kelsey D. and Song, Liguo},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {3575--3580},\n}\n\n\n\n\n\n\n\n
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\n Batch slurry reactions are widely used in the industrial manufacturing of chemicals, pharmaceuticals, petrochemicals and polymers. However, onsite monitoring of batch slurry reactions is still not feasible in production plants due to the challenge in analyzing heterogeneous samples without complicated sample preparation procedures. In this study, direct analysis in real time mass spectrometry (DART-MS) has been evaluated for the onsite monitoring of a model batch slurry reaction. The results suggested that automation of the sampling process of DART-MS is important to achieve quantitative results. With a sampling technique of manual sample deposition on melting point capillaries followed by automatic sample introduction across the helium beam, relative standard deviation (RSD) of the protonated molecule signals from the reaction product of the model batch slurry reaction ranged from 6 to 30%. This RSD range is improved greatly over a sampling technique of manual sample deposition followed by manual sample introduction where the RSDs are up to 110%. Furthermore, with the semi-automated sampling approach, semi-quantitative analysis of slurry samples has been achieved. Better quantification is expected with a fully automated sampling approach. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Detection of illicit drugs on surfaces using direct analysis in real time (DART) time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Grange, A. H.; and Sovocool, G. W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(9): 1271–1281. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{grange_detection_2011,\n\ttitle = {Detection of illicit drugs on surfaces using direct analysis in real time ({DART}) time-of-flight mass spectrometry},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5009},\n\tdoi = {10.1002/rcm.5009},\n\tabstract = {Methamphetamine (meth) from meth syntheses or habitual meth smoking deposited on household surfaces poses human health hazards. The U.S. State Departments of Health require decontamination of sites where meth was synthesized (meth labs) before they are sold. National Institute for Occupational Safety and Health (NIOSH) methods for meth analysis require wipe sampling, extraction, clean-up, solvent exchange, derivatization, and/or mass spectral analysis using selected ion monitoring. Rapid and inexpensive analyses could screen for drug-contamination within structures with greater spatial resolution, provide real-time analyses during decontamination, and provide thorough documentation of successful clean ups. Herein an autosampler/open-air ion source time-of-flight mass spectrometric technique is described that required only direct sampling using cotton-swab wipes. Each wipe sample collection required 2 min and data acquisition required only 13 s per sample. Optimum collision-induced dissociation voltages, desorption gas temperatures, and wipe sample solvents were determined for 11 drugs. Peaks were observed in analyte-ion traces for 0.025 µg/100 cm2 of meth and seven other drugs. This level is half the detection limit of NIOSH methods and one-fourth of the lowest U.S. state decontamination limit for meth. Dynamic ranges of 100 in concentration were demonstrated for eight drugs, which is sufficient for a screening technique. The volatilities of 11 drugs deposited on glass were determined. The pick up of the drugs by solvent-soaked cotton-swab wipes from glass relative to acrylic latex paint was also compared. Published in 2011 by John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H. and Sovocool, G. Wayne},\n\tyear = {2011},\n\tpages = {1271--1281},\n}\n\n\n\n
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\n Methamphetamine (meth) from meth syntheses or habitual meth smoking deposited on household surfaces poses human health hazards. The U.S. State Departments of Health require decontamination of sites where meth was synthesized (meth labs) before they are sold. National Institute for Occupational Safety and Health (NIOSH) methods for meth analysis require wipe sampling, extraction, clean-up, solvent exchange, derivatization, and/or mass spectral analysis using selected ion monitoring. Rapid and inexpensive analyses could screen for drug-contamination within structures with greater spatial resolution, provide real-time analyses during decontamination, and provide thorough documentation of successful clean ups. Herein an autosampler/open-air ion source time-of-flight mass spectrometric technique is described that required only direct sampling using cotton-swab wipes. Each wipe sample collection required 2 min and data acquisition required only 13 s per sample. Optimum collision-induced dissociation voltages, desorption gas temperatures, and wipe sample solvents were determined for 11 drugs. Peaks were observed in analyte-ion traces for 0.025 µg/100 cm2 of meth and seven other drugs. This level is half the detection limit of NIOSH methods and one-fourth of the lowest U.S. state decontamination limit for meth. Dynamic ranges of 100 in concentration were demonstrated for eight drugs, which is sufficient for a screening technique. The volatilities of 11 drugs deposited on glass were determined. The pick up of the drugs by solvent-soaked cotton-swab wipes from glass relative to acrylic latex paint was also compared. Published in 2011 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Comparison of dielectric barrier discharge, atmospheric pressure radiofrequency-driven glow discharge and direct analysis in real time sources for ambient mass spectrometry of acetaminophen.\n \n \n \n\n\n \n Kratzera, J.; Mester, Z.; and Sturgeon, R. E.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 66(8): 594–603. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kratzera_comparison_2011,\n\ttitle = {Comparison of dielectric barrier discharge, atmospheric pressure radiofrequency-driven glow discharge and direct analysis in real time sources for ambient mass spectrometry of acetaminophen},\n\tvolume = {66},\n\tabstract = {Three plasma-based ambient pressure ion sources were investigated; laboratory constructed dielectric barrier and rf glow discharges, as well as a commercial corona discharge (DART source). All were used to desorb and ionize a model analyte, providing sampling techniques for ambient mass spectrometry (MS). Experimental parameters were optimized to achive highest signal for acetaminophen as the analyte. Insight into the mechanisms of analyte desorption and ionization was obtained by means of emission spectrometry and ion current measurements. Desorption and ionization mechanisms for this analyte appear to be identical for all three plasma sources. Emission spectra differ only in the intensities of various lines and bands. Desorption of solid analyte requires transfer of thermal energy from the plasma source to sample surface, in the absence of which complete loss of MS response occurs. For acetaminophen, helium was the best plasma gas, providing 100- to 1000-fold higher analyte response than with argon or nitrogen. The same trend was also evident with background ions (protonated water clusters). MS analyte signal intensity correlates with the ion density (expressed as ion current) in the plasma plume and with emission intensity from excited state species in the plasma. These observations support an ionization process which occurs via proton transfer from protonated water clusters to analyte molecules.},\n\tnumber = {8},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {Kratzera, Jan and Mester, Zoltán and Sturgeon, Ralph E.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time (DART); Dielectric barrier discharge (DBD); Atmospheric pressure rf glow discharge (APGD); Ambient mass spectrometry (AMS); Acetaminophen},\n\tpages = {594--603},\n}\n\n\n\n
\n
\n\n\n
\n Three plasma-based ambient pressure ion sources were investigated; laboratory constructed dielectric barrier and rf glow discharges, as well as a commercial corona discharge (DART source). All were used to desorb and ionize a model analyte, providing sampling techniques for ambient mass spectrometry (MS). Experimental parameters were optimized to achive highest signal for acetaminophen as the analyte. Insight into the mechanisms of analyte desorption and ionization was obtained by means of emission spectrometry and ion current measurements. Desorption and ionization mechanisms for this analyte appear to be identical for all three plasma sources. Emission spectra differ only in the intensities of various lines and bands. Desorption of solid analyte requires transfer of thermal energy from the plasma source to sample surface, in the absence of which complete loss of MS response occurs. For acetaminophen, helium was the best plasma gas, providing 100- to 1000-fold higher analyte response than with argon or nitrogen. The same trend was also evident with background ions (protonated water clusters). MS analyte signal intensity correlates with the ion density (expressed as ion current) in the plasma plume and with emission intensity from excited state species in the plasma. These observations support an ionization process which occurs via proton transfer from protonated water clusters to analyte molecules.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Coupled to Multiplexed Drift Tube Ion Mobility Spectrometry for Detecting Toxic Chemicals.\n \n \n \n \n\n\n \n Harris, G. A.; Kwasnik, M.; and Fernández, F. M.\n\n\n \n\n\n\n Anal. Chem., 83(6): 1908–1915. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{harris_direct_2011,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Coupled} to {Multiplexed} {Drift} {Tube} {Ion} {Mobility} {Spectrometry} for {Detecting} {Toxic} {Chemicals}},\n\tvolume = {83},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac102246h},\n\tdoi = {10.1021/ac102246h},\n\tabstract = {Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95\\% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81\\% v/v for DMMP, 1.13\\% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28\\% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.\nCurrent and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95\\% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81\\% v/v for DMMP, 1.13\\% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28\\% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.},\n\tnumber = {6},\n\tjournal = {Anal. Chem.},\n\tauthor = {Harris, Glenn A. and Kwasnik, Mark and Fernández, Facundo M.},\n\tyear = {2011},\n\tpages = {1908--1915},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81% v/v for DMMP, 1.13% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections. Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81% v/v for DMMP, 1.13% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.\n
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\n \n\n \n \n \n \n \n \n Principal component directed partial least squares analysis for combining nuclear magnetic resonance and mass spectrometry data in metabolomics: Application to the detection of breast cancer.\n \n \n \n \n\n\n \n Gu, H.; Pan, Z.; Xi, B.; Asiago, V.; Musselman, B.; and Raftery, D.\n\n\n \n\n\n\n Analytica Chimica Acta, 686(1–2): 57–63. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PrincipalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{gu_principal_2011,\n\ttitle = {Principal component directed partial least squares analysis for combining nuclear magnetic resonance and mass spectrometry data in metabolomics: {Application} to the detection of breast cancer},\n\tvolume = {686},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267010014558},\n\tdoi = {10.1016/j.aca.2010.11.040},\n\tabstract = {Nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) are the two most commonly used analytical tools in metabolomics, and their complementary nature makes the combination particularly attractive. A combined analytical approach can improve the potential for providing reliable methods to detect metabolic profile alterations in biofluids or tissues caused by disease, toxicity, etc. In this paper, 1H NMR spectroscopy and direct analysis in real time (DART)-MS were used for the metabolomics analysis of serum samples from breast cancer patients and healthy controls. Principal component analysis (PCA) of the NMR data showed that the first principal component (PC1) scores could be used to separate cancer from normal samples. However, no such obvious clustering could be observed in the PCA score plot of DART-MS data, even though DART-MS can provide a rich and informative metabolic profile. Using a modified multivariate statistical approach, the DART-MS data were then reevaluated by orthogonal signal correction (OSC) pretreated partial least squares (PLS), in which the Y matrix in the regression was set to the PC1 score values from the NMR data analysis. This approach, and a similar one using the first latent variable from PLS-DA of the NMR data resulted in a significant improvement of the separation between the disease samples and normals, and a metabolic profile related to breast cancer could be extracted from DART-MS. The new approach allows the disease classification to be expressed on a continuum as opposed to a binary scale and thus better represents the disease and healthy classifications. An improved metabolic profile obtained by combining MS and NMR by this approach may be useful to achieve more accurate disease detection and gain more insight regarding disease mechanisms and biology.},\n\tnumber = {1–2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Gu, Haiwei and Pan, Zhengzheng and Xi, Bowei and Asiago, Vincent and Musselman, Brian and Raftery, Daniel},\n\tyear = {2011},\n\tkeywords = {Breast cancer, Direct analysis in real time, Human serum, Nuclear magnetic resonance, Orthogonal signal correction, Partial least squares, mass spectrometry, metabolomics},\n\tpages = {57--63},\n}\n\n\n\n
\n
\n\n\n
\n Nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) are the two most commonly used analytical tools in metabolomics, and their complementary nature makes the combination particularly attractive. A combined analytical approach can improve the potential for providing reliable methods to detect metabolic profile alterations in biofluids or tissues caused by disease, toxicity, etc. In this paper, 1H NMR spectroscopy and direct analysis in real time (DART)-MS were used for the metabolomics analysis of serum samples from breast cancer patients and healthy controls. Principal component analysis (PCA) of the NMR data showed that the first principal component (PC1) scores could be used to separate cancer from normal samples. However, no such obvious clustering could be observed in the PCA score plot of DART-MS data, even though DART-MS can provide a rich and informative metabolic profile. Using a modified multivariate statistical approach, the DART-MS data were then reevaluated by orthogonal signal correction (OSC) pretreated partial least squares (PLS), in which the Y matrix in the regression was set to the PC1 score values from the NMR data analysis. This approach, and a similar one using the first latent variable from PLS-DA of the NMR data resulted in a significant improvement of the separation between the disease samples and normals, and a metabolic profile related to breast cancer could be extracted from DART-MS. The new approach allows the disease classification to be expressed on a continuum as opposed to a binary scale and thus better represents the disease and healthy classifications. An improved metabolic profile obtained by combining MS and NMR by this approach may be useful to achieve more accurate disease detection and gain more insight regarding disease mechanisms and biology.\n
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\n \n\n \n \n \n \n \n \n Epiafzelechin from the Root Bark of Cassia sieberiana: Detection by DART Mass Spectrometry, Spectroscopic Characterization, and Antioxidant Properties.\n \n \n \n \n\n\n \n Kpegba, K.; Agbonon, A.; Petrovic, A. G.; Amouzou, E.; Gbeassor, M.; Proni, G.; and Nesnas, N.\n\n\n \n\n\n\n Journal of Natural Products, 74(3): 455–459. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"EpiafzelechinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kpegba_epiafzelechin_2011,\n\ttitle = {Epiafzelechin from the {Root} {Bark} of {Cassia} sieberiana: {Detection} by {DART} {Mass} {Spectrometry}, {Spectroscopic} {Characterization}, and {Antioxidant} {Properties}},\n\tvolume = {74},\n\tissn = {0163-3864, 1520-6025},\n\tshorttitle = {Epiafzelechin from the {Root} {Bark} of {Cassia} sieberiana},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/np100090e},\n\tdoi = {10.1021/np100090e},\n\tabstract = {The root bark of Cassia sieberiana was analyzed using direct analysis in real time mass spectrometry, and a main flavonoid component with an [M + H]+ mass of 275 was identified. The flavonoid, epiafzelechin, was isolated and fully characterized with the concerted use of NMR spectroscopy, circular dichroism, and optical rotation. Electronic circular dichroism and optical rotation TDDFT calculations were also performed, and their agreement with the experimental results confirmed the enantiomeric identity of the isolated natural product. The antioxidant activity of the compound was also investigated.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Journal of Natural Products},\n\tauthor = {Kpegba, Kafui and Agbonon, Amegnona and Petrovic, Ana G. and Amouzou, Etchri and Gbeassor, Messanvi and Proni, Gloria and Nesnas, Nasri},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {455--459},\n}\n\n\n\n
\n
\n\n\n
\n The root bark of Cassia sieberiana was analyzed using direct analysis in real time mass spectrometry, and a main flavonoid component with an [M + H]+ mass of 275 was identified. The flavonoid, epiafzelechin, was isolated and fully characterized with the concerted use of NMR spectroscopy, circular dichroism, and optical rotation. Electronic circular dichroism and optical rotation TDDFT calculations were also performed, and their agreement with the experimental results confirmed the enantiomeric identity of the isolated natural product. The antioxidant activity of the compound was also investigated.\n
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\n \n\n \n \n \n \n \n \n Current mass spectrometry strategies for the analysis of pesticides and their metabolites in food and water matrices.\n \n \n \n \n\n\n \n Botitsi, H. V.; Garbis, S. D.; Economou, A.; and Tsipi, D. F.\n\n\n \n\n\n\n Mass Spectrometry Reviews, 30(5): 907–939. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"CurrentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{botitsi_current_2011,\n\ttitle = {Current mass spectrometry strategies for the analysis of pesticides and their metabolites in food and water matrices},\n\tvolume = {30},\n\tissn = {1098-2787},\n\turl = {http://dx.doi.org/10.1002/mas.20307},\n\tdoi = {10.1002/mas.20307},\n\tabstract = {Analysis of pesticides and their metabolites in food and water matrices continues to be an active research area closely related to food safety and environmental issues. This review discusses the most widely applied mass spectrometric (MS) approaches to pesticide residues analysis over the last few years. The main techniques for sample preparation remain solvent extraction and solid-phase extraction. The QuEChERS (Quick, Easy, Cheap, Effective, Rugged, Safe) approach is being increasingly used for the development of multi-class pesticide residues methods in various sample matrices. MS detectors—triple quadrupole (QqQ), ion-trap (IT), quadrupole linear ion trap (QqLIT), time-of-flight (TOF), and quadrupole time-of-flight (QqTOF)—have been established as powerful analytical tools sharing a primary role in the detection/quantification and/or identification/confirmation of pesticides and their metabolites. Recent developments in analytical instrumentation have enabled coupling of ultra-performance liquid chromatography (UPLC) and fast gas chromatography (GC) with MS detectors, and faster analysis for a greater number of pesticides. The newly developed “ambient-ionization” MS techniques (e.g., desorption electrospray ionization, DESI, and direct analysis in real time, DART) hyphenated with high-resolution MS platforms without liquid chromatography separation, and sometimes with minimum pre-treatment, have shown potential for pesticide residue screening. The recently introduced Orbitrap mass spectrometers can provide high resolving power and mass accuracy, to tackle complex analytical problems involved in pesticide residue analysis. © 2010 Wiley Periodicals, Inc., Mass Spec Rev 30:907–939, 2011},\n\tnumber = {5},\n\tjournal = {Mass Spectrometry Reviews},\n\tauthor = {Botitsi, Helen V. and Garbis, Spiros D. and Economou, Anastasios and Tsipi, Despina F.},\n\tyear = {2011},\n\tkeywords = {food and water, liquid and gas chromatography, mass spectrometry, pesticides},\n\tpages = {907--939},\n}\n\n\n\n
\n
\n\n\n
\n Analysis of pesticides and their metabolites in food and water matrices continues to be an active research area closely related to food safety and environmental issues. This review discusses the most widely applied mass spectrometric (MS) approaches to pesticide residues analysis over the last few years. The main techniques for sample preparation remain solvent extraction and solid-phase extraction. The QuEChERS (Quick, Easy, Cheap, Effective, Rugged, Safe) approach is being increasingly used for the development of multi-class pesticide residues methods in various sample matrices. MS detectors—triple quadrupole (QqQ), ion-trap (IT), quadrupole linear ion trap (QqLIT), time-of-flight (TOF), and quadrupole time-of-flight (QqTOF)—have been established as powerful analytical tools sharing a primary role in the detection/quantification and/or identification/confirmation of pesticides and their metabolites. Recent developments in analytical instrumentation have enabled coupling of ultra-performance liquid chromatography (UPLC) and fast gas chromatography (GC) with MS detectors, and faster analysis for a greater number of pesticides. The newly developed “ambient-ionization” MS techniques (e.g., desorption electrospray ionization, DESI, and direct analysis in real time, DART) hyphenated with high-resolution MS platforms without liquid chromatography separation, and sometimes with minimum pre-treatment, have shown potential for pesticide residue screening. The recently introduced Orbitrap mass spectrometers can provide high resolving power and mass accuracy, to tackle complex analytical problems involved in pesticide residue analysis. © 2010 Wiley Periodicals, Inc., Mass Spec Rev 30:907–939, 2011\n
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\n \n\n \n \n \n \n \n Structural Elucidation of Direct Analysis in Real Time Ionized Nerve Agent Simulants with Infrared Multiple Photon Dissociation Spectroscopy.\n \n \n \n\n\n \n Rummel, J. L.; Steill, J. D.; Oomens, J.; Contreras, C. S.; Pearson, W. L.; Szczepanski, J.; Powell, D. H.; and Eyler, J. R.\n\n\n \n\n\n\n Analytical Chemistry, 83(11): 4045–4052. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rummel_structural_2011,\n\ttitle = {Structural {Elucidation} of {Direct} {Analysis} in {Real} {Time} {Ionized} {Nerve} {Agent} {Simulants} with {Infrared} {Multiple} {Photon} {Dissociation} {Spectroscopy}},\n\tvolume = {83},\n\tdoi = {10.1021/ac102973a},\n\tabstract = {Infrared multiple photon dissociation (IRMPD) was used to generate vibrational spectra of ions produced with a direct analysis in real time (DART) ionization source coupled to a 4.7 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The location of protonation on the nerve agent simulants diisopropyl methylphosphonate (DIMP) and dimethyl methylphosphonate (DMMP) was studied while solutions of the compounds were introduced for extended periods of time with a syringe pump. Theoretical vibrational spectra were generated with density functional theory calculations. Visual comparison of experimental mid-IR IRMPD spectra and theoretical spectra could not establish definitively if a single structure or a mixture of conformations was present for the protonated parent of each compound. However, theoretical calculations, near-ir IRMPD spectra, and frequency-to-frequency and statistical comparisons indicated that the protonation site for both DIMP and DMMP was predominantly, if not exclusively, the phosphonyl oxygen instead of one of the oxygen atoms with only single bonds.},\n\tnumber = {11},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Rummel, Julia L. and Steill, Jeffrey D. and Oomens, Jos and Contreras, Cesar S. and Pearson, Wright L. and Szczepanski, Jan and Powell, David H. and Eyler, John R.},\n\tyear = {2011},\n\tkeywords = {DART, FT-ICR, nerve agents},\n\tpages = {4045--4052},\n}\n\n\n\n
\n
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\n Infrared multiple photon dissociation (IRMPD) was used to generate vibrational spectra of ions produced with a direct analysis in real time (DART) ionization source coupled to a 4.7 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The location of protonation on the nerve agent simulants diisopropyl methylphosphonate (DIMP) and dimethyl methylphosphonate (DMMP) was studied while solutions of the compounds were introduced for extended periods of time with a syringe pump. Theoretical vibrational spectra were generated with density functional theory calculations. Visual comparison of experimental mid-IR IRMPD spectra and theoretical spectra could not establish definitively if a single structure or a mixture of conformations was present for the protonated parent of each compound. However, theoretical calculations, near-ir IRMPD spectra, and frequency-to-frequency and statistical comparisons indicated that the protonation site for both DIMP and DMMP was predominantly, if not exclusively, the phosphonyl oxygen instead of one of the oxygen atoms with only single bonds.\n
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\n \n\n \n \n \n \n \n \n Fast identification of phthalic acid esters in poly(vinyl chloride) samples by Direct Analysis In Real Time (DART) tandem mass spectrometry.\n \n \n \n \n\n\n \n Kuki, Á.; Nagy, L.; Zsuga, M.; and Kéki, S.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 303(2–3): 225–228. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"FastPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kuki_fast_2011,\n\ttitle = {Fast identification of phthalic acid esters in poly(vinyl chloride) samples by {Direct} {Analysis} {In} {Real} {Time} ({DART}) tandem mass spectrometry},\n\tvolume = {303},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380611000698},\n\tdoi = {10.1016/j.ijms.2011.02.011},\n\tabstract = {It was found that the collision energy/voltage necessary to obtain 50\\% fragmentation (CV50) was linearly dependent on the molecular weight of phthalic acid esters (PAEs). Based on this observation a fast screening technique for the detection of PAEs in poly vinyl chloride (PVC) samples was developed using Direct Analysis in Real Time (DART) ionization tandem mass spectrometry. Based on this observation an automated data acquisition method, including mass-dependent tuning of the collision energy/voltage in DART-MS/MS, was developed thereby reducing the analysis time.},\n\tnumber = {2–3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Kuki, Ákos and Nagy, Lajos and Zsuga, Miklós and Kéki, Sándor},\n\tyear = {2011},\n\tkeywords = {Direct Analysis in Real Time ionization (DART), Phthalic acid ester, Poly(vinyl chloride), Tandem mass spectrometry (MS/MS)},\n\tpages = {225--228},\n}\n\n\n\n
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\n It was found that the collision energy/voltage necessary to obtain 50% fragmentation (CV50) was linearly dependent on the molecular weight of phthalic acid esters (PAEs). Based on this observation a fast screening technique for the detection of PAEs in poly vinyl chloride (PVC) samples was developed using Direct Analysis in Real Time (DART) ionization tandem mass spectrometry. Based on this observation an automated data acquisition method, including mass-dependent tuning of the collision energy/voltage in DART-MS/MS, was developed thereby reducing the analysis time.\n
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\n \n\n \n \n \n \n \n \n Simplified and rapid determination of polychlorinated biphenyls, polybrominated diphenyl ethers, and polycyclic aromatic hydrocarbons in fish and shrimps integrated into a single method.\n \n \n \n \n\n\n \n Kalachova, K.; Pulkrabova, J.; Drabova, L.; Cajka, T.; Kocourek, V.; and Hajslova, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 707(1–2): 84–91. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SimplifiedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{kalachova_simplified_2011,\n\ttitle = {Simplified and rapid determination of polychlorinated biphenyls, polybrominated diphenyl ethers, and polycyclic aromatic hydrocarbons in fish and shrimps integrated into a single method},\n\tvolume = {707},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267011012347},\n\tdoi = {10.1016/j.aca.2011.09.016},\n\tabstract = {In this study, a new rapid and flexible method for the simultaneous determination of 18 key representatives of polychlorinated biphenyls (PCBs), 7 polybrominated diphenyl ethers (PBDEs), and 32 polycyclic aromatic hydrocarbons (PAHs) in fish and shrimps by gas chromatography coupled to mass spectrometry (GC–MS) was developed and validated. A substantial simplification of sample processing prior to quantification step was achieved: after addition of water to homogenized sample, transfer of hydrophobic analytes into ethyl acetate was supported by added inorganic salts. Bulk fat, contained in crude organic extract obtained by partition, was subsequently removed on a silica minicolumn. This approach enabled to process six samples in less than 1\\&\\#xa0;h; moreover, the volume of an extraction solvent and consumption of other chemicals can be significantly reduced compared to, e.g., traditional Soxhlet extraction followed by gel permeation chromatography. The recoveries of target analytes were in the range of 73–120\\% even at the lowest spiking level (1\\&\\#xa0;μg\\&\\#xa0;kg−1), repeatabilities (relative standard deviations, RSDs) ranged from 1 to 20\\%. Under optimized GC–MS conditions (time-of-flight mass analyzer, TOF), the limits of quantification (LOQs) were as follows: PCBs 0.1–0.5\\&\\#xa0;μg\\&\\#xa0;kg−1, PBDEs 0.5\\&\\#xa0;μg\\&\\#xa0;kg−1, and PAHs 0.05–0.25\\&\\#xa0;μg\\&\\#xa0;kg−1. Ambient mass spectrometry employing a direct analysis in real time (DART) ion source was shown as an effective tool for fat control in extract, which is needed during the method development and examination of unknown samples prior to the analysis. Further extension of a method scope by other similar analytes is easily possible.},\n\tnumber = {1–2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Kalachova, Kamila and Pulkrabova, Jana and Drabova, Lucie and Cajka, Tomas and Kocourek, Vladimir and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {DART, Fish, Fish; Shrimps; PCB; PBDE; PAH; GC–TOFMS; DART; AccuTOF, GC–TOFMS, PAH, PBDE, PCB, Shrimps},\n\tpages = {84--91},\n}\n\n\n\n
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\n\n\n
\n In this study, a new rapid and flexible method for the simultaneous determination of 18 key representatives of polychlorinated biphenyls (PCBs), 7 polybrominated diphenyl ethers (PBDEs), and 32 polycyclic aromatic hydrocarbons (PAHs) in fish and shrimps by gas chromatography coupled to mass spectrometry (GC–MS) was developed and validated. A substantial simplification of sample processing prior to quantification step was achieved: after addition of water to homogenized sample, transfer of hydrophobic analytes into ethyl acetate was supported by added inorganic salts. Bulk fat, contained in crude organic extract obtained by partition, was subsequently removed on a silica minicolumn. This approach enabled to process six samples in less than 1 h; moreover, the volume of an extraction solvent and consumption of other chemicals can be significantly reduced compared to, e.g., traditional Soxhlet extraction followed by gel permeation chromatography. The recoveries of target analytes were in the range of 73–120% even at the lowest spiking level (1 μg kg−1), repeatabilities (relative standard deviations, RSDs) ranged from 1 to 20%. Under optimized GC–MS conditions (time-of-flight mass analyzer, TOF), the limits of quantification (LOQs) were as follows: PCBs 0.1–0.5 μg kg−1, PBDEs 0.5 μg kg−1, and PAHs 0.05–0.25 μg kg−1. Ambient mass spectrometry employing a direct analysis in real time (DART) ion source was shown as an effective tool for fat control in extract, which is needed during the method development and examination of unknown samples prior to the analysis. Further extension of a method scope by other similar analytes is easily possible.\n
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\n \n\n \n \n \n \n \n \n Validation of Thin Layer Chromatography with AccuTOF-DART™ Detection for Forensic Drug Analysis*.\n \n \n \n \n\n\n \n Howlett, S. E.; and Steiner, R. R.\n\n\n \n\n\n\n Journal of Forensic Sciences, 56(5): 1261–1267. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{howlett_validation_2011,\n\ttitle = {Validation of {Thin} {Layer} {Chromatography} with {AccuTOF}-{DART}™ {Detection} for {Forensic} {Drug} {Analysis}*},\n\tvolume = {56},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2011.01881.x},\n\tdoi = {10.1111/j.1556-4029.2011.01881.x},\n\tabstract = {Abstract:  Thin layer chromatography (TLC) is a technique that is commonly employed in the forensic drug analysis of pharmaceutical preparations. Detection is typically accomplished using various visualization spray reagents. Conventional gas chromatography–mass spectrometry (GC-MS) analysis is typically performed to confirm the TLC results. Depending on the drugs tested and the instrument conditions required, this confirmation can take up to an hour to complete. Direct analysis in real time (DART™) is an ionization source, coupled to an accurate-mass time-of-flight mass spectrometer that has the capability to ionize materials under ambient conditions. To streamline analysis, the combination of TLC with DART™ detection is proposed to screen and subsequently identify drug compounds, all from the same TLC plate. DART™ confirmations of TLC analyses take {\\textless}10 min to complete and compare favorably to GC-MS in sensitivity and selectivity. This study validates the use of TLC-DART in the forensic identification of the components of several pharmaceutical preparations.},\n\tnumber = {5},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Howlett, Susanne E. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time, controlled substances, forensic science, forensic science; controlled substances; thin layer chromatography; direct analysis in real time; mass spectrometry; time of flight; AccuTOF, mass spectrometry, thin layer chromatography, time of flight},\n\tpages = {1261--1267},\n}\n\n\n\n
\n
\n\n\n
\n Abstract:  Thin layer chromatography (TLC) is a technique that is commonly employed in the forensic drug analysis of pharmaceutical preparations. Detection is typically accomplished using various visualization spray reagents. Conventional gas chromatography–mass spectrometry (GC-MS) analysis is typically performed to confirm the TLC results. Depending on the drugs tested and the instrument conditions required, this confirmation can take up to an hour to complete. Direct analysis in real time (DART™) is an ionization source, coupled to an accurate-mass time-of-flight mass spectrometer that has the capability to ionize materials under ambient conditions. To streamline analysis, the combination of TLC with DART™ detection is proposed to screen and subsequently identify drug compounds, all from the same TLC plate. DART™ confirmations of TLC analyses take \\textless10 min to complete and compare favorably to GC-MS in sensitivity and selectivity. This study validates the use of TLC-DART in the forensic identification of the components of several pharmaceutical preparations.\n
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\n \n\n \n \n \n \n \n \n Analysis of Alprazolam by DART-TOF Mass Spectrometry in Counterfeit and Routine Drug Identification Cases.\n \n \n \n \n\n\n \n Samms, W. C.; Jiang, Y. J.; Dixon, M. D.; Houck, S. S.; and Mozayani, A.\n\n\n \n\n\n\n Journal of Forensic Sciences, 56(4): 993–998. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{samms_analysis_2011,\n\ttitle = {Analysis of {Alprazolam} by {DART}-{TOF} {Mass} {Spectrometry} in {Counterfeit} and {Routine} {Drug} {Identification} {Cases}},\n\tvolume = {56},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2011.01767.x},\n\tdoi = {10.1111/j.1556-4029.2011.01767.x},\n\tabstract = {Abstract:  The high prevalence of alprazolam abuse translates to an increased workload for crime laboratories in characterizing seized tablets. These tablets may originate as diverted pharmaceuticals or counterfeited mimics, so efficient analytical techniques should provide confirmatory data while minimizing destruction of evidence. We offer the first report of a validated forensic method for confirming alprazolam tablets by direct analysis in real time–time of flight (DART-TOF) mass spectrometric analysis. This technique provides rapid identification of target analytes with minimal sample preparation, allowing direct analysis in the atmospheric sample gap. Selectivity is achieved through high resolution and mass accuracy, unique ion fragments, and chlorine isotopic ratios. This method utilizes fragmentation in two separate voltage functions to observe the alprazolam pseudo molecular ion at 309.09070 using 40 V and major ion fragments of 281.07197 and 205.07657 at 120 V. These parameters allow our laboratory to confirm alprazolam tablets efficiently, without compromising quality forensic standards.},\n\tnumber = {4},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Samms, Warren C. and Jiang, Yongyi Julia and Dixon, Mark D. and Houck, Stephen S. and Mozayani, Ashraf},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Direct analysis in real time, alprazolam, confirmation, controlled substances, counterfeit, forensic science},\n\tpages = {993--998},\n}\n\n\n\n
\n
\n\n\n
\n Abstract:  The high prevalence of alprazolam abuse translates to an increased workload for crime laboratories in characterizing seized tablets. These tablets may originate as diverted pharmaceuticals or counterfeited mimics, so efficient analytical techniques should provide confirmatory data while minimizing destruction of evidence. We offer the first report of a validated forensic method for confirming alprazolam tablets by direct analysis in real time–time of flight (DART-TOF) mass spectrometric analysis. This technique provides rapid identification of target analytes with minimal sample preparation, allowing direct analysis in the atmospheric sample gap. Selectivity is achieved through high resolution and mass accuracy, unique ion fragments, and chlorine isotopic ratios. This method utilizes fragmentation in two separate voltage functions to observe the alprazolam pseudo molecular ion at 309.09070 using 40 V and major ion fragments of 281.07197 and 205.07657 at 120 V. These parameters allow our laboratory to confirm alprazolam tablets efficiently, without compromising quality forensic standards.\n
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\n \n\n \n \n \n \n \n \n Practical considerations for the rapid screening for pesticides using ambient pressure desorption ionisation with high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Edison, S.; Lin, L.; and Parrales, L.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 28(10): 1393–1404. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PracticalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{edison_practical_2011,\n\ttitle = {Practical considerations for the rapid screening for pesticides using ambient pressure desorption ionisation with high-resolution mass spectrometry},\n\tvolume = {28},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2011.596165},\n\tdoi = {10.1080/19440049.2011.596165},\n\tabstract = {A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80\\% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.\nA rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80\\% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.},\n\tnumber = {10},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Edison, S.E. and Lin, L.A. and Parrales, L.},\n\tyear = {2011},\n\tpages = {1393--1404},\n}\n\n\n\n
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\n A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode. A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.\n
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\n \n\n \n \n \n \n \n \n Some new features of Direct Analysis in Real Time mass spectrometry utilizing the desorption at an angle option.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Revelsky, A. I.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(16): 2275–2282. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SomePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{chernetsova_new_2011,\n\ttitle = {Some new features of {Direct} {Analysis} in {Real} {Time} mass spectrometry utilizing the desorption at an angle option},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5112},\n\tdoi = {10.1002/rcm.5112},\n\tabstract = {The present study is a first step towards the unexplored capabilities of Direct Analysis in Real Time (DART) mass spectrometry (MS) arising from the possibility of the desorption at an angle: scanning analysis of surfaces, including the coupling of thin-layer chromatography (TLC) with DART-MS, and a more sensitive analysis due to the preliminary concentration of analytes dissolved in large volumes of liquids on glass surfaces. In order to select the most favorable conditions for DART-MS analysis, proper positioning of samples is important. Therefore, a simple and cheap technique for the visualization of the impact region of the DART gas stream onto a substrate was developed. A filter paper or TLC plate, previously loaded with the analyte, was immersed in a derivatization solution. On this substrate, owing to the impact of the hot DART gas, reaction of the analyte to a colored product occurred. An improved capability of detection of DART-MS for the analysis of liquids was demonstrated by applying large volumes of model solutions of coumaphos into small glass vessels and drying these solutions prior to DART-MS analysis under ambient conditions. This allowed the introduction of, by up to more than two orders of magnitude, increased quantities of analyte compared with the conventional DART-MS analysis of liquids. Through this improved detectability, the capabilities of DART-MS in trace analysis could be strengthened. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {16},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Revelsky, Alexander I. and Morlock, Gertrud E.},\n\tyear = {2011},\n\tkeywords = {Agilent Quad},\n\tpages = {2275--2282},\n}\n\n\n\n
\n
\n\n\n
\n The present study is a first step towards the unexplored capabilities of Direct Analysis in Real Time (DART) mass spectrometry (MS) arising from the possibility of the desorption at an angle: scanning analysis of surfaces, including the coupling of thin-layer chromatography (TLC) with DART-MS, and a more sensitive analysis due to the preliminary concentration of analytes dissolved in large volumes of liquids on glass surfaces. In order to select the most favorable conditions for DART-MS analysis, proper positioning of samples is important. Therefore, a simple and cheap technique for the visualization of the impact region of the DART gas stream onto a substrate was developed. A filter paper or TLC plate, previously loaded with the analyte, was immersed in a derivatization solution. On this substrate, owing to the impact of the hot DART gas, reaction of the analyte to a colored product occurred. An improved capability of detection of DART-MS for the analysis of liquids was demonstrated by applying large volumes of model solutions of coumaphos into small glass vessels and drying these solutions prior to DART-MS analysis under ambient conditions. This allowed the introduction of, by up to more than two orders of magnitude, increased quantities of analyte compared with the conventional DART-MS analysis of liquids. Through this improved detectability, the capabilities of DART-MS in trace analysis could be strengthened. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Quantitative analysis of major dibenzocyclooctane lignans in schisandrae fructus by online TLC-DART-MS.\n \n \n \n \n\n\n \n Kim, H. J.; Oh, M. S.; Hong, J.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis, 22(3): 258–262. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_quantitative_2011,\n\ttitle = {Quantitative analysis of major dibenzocyclooctane lignans in schisandrae fructus by online {TLC}-{DART}-{MS}},\n\tvolume = {22},\n\tissn = {09580344},\n\turl = {http://doi.wiley.com/10.1002/pca.1273},\n\tdoi = {10.1002/pca.1273},\n\tabstract = {Introduction – Direct analysis in real time (DART) ion source is a powerful ionising technique for the quick and easy detection of various organic molecules without any sample preparation steps, but the lack of quantitation capacity limits its extensive use in the field of phytochemical analysis.\nObjective – To improvise a new system which utilize DART-MS as a hyphenated detector for quantitation.\nMethodology – A total extract of Schisandra chinensis fruit was analyzed on a TLC plate and three major lignan compounds were quantitated by three different methods of UV densitometry, TLC-DART-MS and HPLC-UV to compare the efficiency of each method. To introduce the TLC plate into the DART ion source at a constant velocity, a syringe pump was employed. The DART-MS total ion current chromatogram was recorded for the entire TLC plate. The concentration of each lignan compound was calculated from the calibration curve established with standard compound.\nResults – Gomisin A, gomisin N and schisandrin were well separated on a silica-coated TLC plate and the specific ion current chromatograms were successfully acquired from the TLC-DART-MS system. The TLC-DART-MS system for the quantitation of natural products showed better linearity and specificity than TLC densitometry, and consumed less time and solvent than conventional HPLC method.\nConclusion – A hyphenated system for the quantitation of phytochemicals from crude herbal drugs was successfully established. This system was shown to have a powerful analytical capacity for the prompt and efficient quantitation of natural products from crude drugs.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Oh, Myung Sook and Hong, Jongki and Jang, Young Pyo},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {258--262},\n}\n\n\n\n
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\n Introduction – Direct analysis in real time (DART) ion source is a powerful ionising technique for the quick and easy detection of various organic molecules without any sample preparation steps, but the lack of quantitation capacity limits its extensive use in the field of phytochemical analysis. Objective – To improvise a new system which utilize DART-MS as a hyphenated detector for quantitation. Methodology – A total extract of Schisandra chinensis fruit was analyzed on a TLC plate and three major lignan compounds were quantitated by three different methods of UV densitometry, TLC-DART-MS and HPLC-UV to compare the efficiency of each method. To introduce the TLC plate into the DART ion source at a constant velocity, a syringe pump was employed. The DART-MS total ion current chromatogram was recorded for the entire TLC plate. The concentration of each lignan compound was calculated from the calibration curve established with standard compound. Results – Gomisin A, gomisin N and schisandrin were well separated on a silica-coated TLC plate and the specific ion current chromatograms were successfully acquired from the TLC-DART-MS system. The TLC-DART-MS system for the quantitation of natural products showed better linearity and specificity than TLC densitometry, and consumed less time and solvent than conventional HPLC method. Conclusion – A hyphenated system for the quantitation of phytochemicals from crude herbal drugs was successfully established. This system was shown to have a powerful analytical capacity for the prompt and efficient quantitation of natural products from crude drugs.\n
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\n \n\n \n \n \n \n \n \n Direct analysis of dithiocarbamate fungicides in fruit by ambient mass spectrometry.\n \n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Zomer, P.; Mol, H.; and Hajslova, J.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 28(10): 1372–1382. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cajka_direct_2011,\n\ttitle = {Direct analysis of dithiocarbamate fungicides in fruit by ambient mass spectrometry},\n\tvolume = {28},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2011.590456},\n\tdoi = {10.1080/19440049.2011.590456},\n\tabstract = {Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.\nDithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.},\n\tnumber = {10},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Cajka, Tomas and Riddellova, Katerina and Zomer, Paul and Mol, Hans and Hajslova, Jana},\n\tyear = {2011},\n\tpages = {1372--1382},\n}\n\n\n\n
\n
\n\n\n
\n Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained. Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.\n
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\n \n\n \n \n \n \n \n \n Determination of drugs and drug-like compounds in different samples with direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n Mass Spectrometry Reviews, 30(5): 875–883. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{chernetsova_determination_2011,\n\ttitle = {Determination of drugs and drug-like compounds in different samples with direct analysis in real time mass spectrometry},\n\tvolume = {30},\n\tissn = {1098-2787},\n\turl = {http://dx.doi.org/10.1002/mas.20304},\n\tdoi = {10.1002/mas.20304},\n\tabstract = {Direct analysis in real time (DART), a relatively new ionization source for mass spectrometry, ionizes small-molecule components from different kinds of samples without any sample preparation and chromatographic separation. The current paper reviews the published data available on the determination of drugs and drug-like compounds in different matrices with DART-MS, including identification and quantitation issues. Parameters that affect ionization efficiency and mass spectra composition are also discussed. © 2011 Wiley Periodicals, Inc., Mass Spec Rev 30:875–883, 2011},\n\tnumber = {5},\n\tjournal = {Mass Spectrometry Reviews},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tyear = {2011},\n\tkeywords = {Ambient mass spectrometry, DART, Direct analysis in real time, drugs, identification, quantitation, review; direct analysis in real time; DART; drugs; identification; quantitation; ambient mass spectrometry},\n\tpages = {875--883},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART), a relatively new ionization source for mass spectrometry, ionizes small-molecule components from different kinds of samples without any sample preparation and chromatographic separation. The current paper reviews the published data available on the determination of drugs and drug-like compounds in different matrices with DART-MS, including identification and quantitation issues. Parameters that affect ionization efficiency and mass spectra composition are also discussed. © 2011 Wiley Periodicals, Inc., Mass Spec Rev 30:875–883, 2011\n
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\n \n\n \n \n \n \n \n Crushing Garlic and Slicing Onions: Detection of Sulfenic Acids and Other Reactive Organosulfur Intermediates from Garlic and Other Alliums using Direct Analysis in Real-Time Mass Spectrometry (DART-MS).\n \n \n \n\n\n \n Block, E.; Dane, A.; and Cody, R.\n\n\n \n\n\n\n Phosphorus, Sulfur, and Silicon and the Related Elements, 186(5): 1085–1093. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{block_crushing_2011,\n\ttitle = {Crushing {Garlic} and {Slicing} {Onions}: {Detection} of {Sulfenic} {Acids} and {Other} {Reactive} {Organosulfur} {Intermediates} from {Garlic} and {Other} {Alliums} using {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry} ({DART}-{MS})},\n\tvolume = {186},\n\tabstract = {Direct analysis in real-time mass spectrometry (DART-MS) under both positive-ion (PI) and negative-ion (NI) high-resolution (HR) conditions has been used to identify reactive sulfur-containing compounds formed from cutting seven different genus Allium species, garlic, onion, elephant garlic, leek, Chinese chives, and the ornamental species, Allium siculum and A. stipitatum. From cut garlic, PI-DART-MS shows allicin, allyl/methyl and dimethyl thiosulfinates, diallyl trisulfane S-oxide, allyl alcohol, and propene, whereas NI-DART-MS shows 2-propenesulfenic acid, 2-propenesulfinic acid, SO2, and pyruvate. From cut onion, PI-DART-MS shows mainly the lachrymatory factor (LF), along with much lower amounts of thiosulfinates, zwiebelanes, and a bis-sulfine. From cut elephant garlic, both allicin and LF are found, along with thiosulfinates and bis-sulfine. From cut leek, using PI-DART-MS, mixed methyl-1-propenyl-n-propyl thiosulfinates are found, whereas cut Chinese chive shows predominantly methyl with lesser amounts of mixed allyl/methyl thiosufinates. From cut A. siculum, PI-DART-MS shows butanethial S-oxide along with lesser amounts of mixed 1-butenyl/n-butyl/methyl thiosulfinates, while from cut A. stipitatum, N-hydroxy-2-pyridinethione (pyrithone) is seen. PI-DART-MS analysis of all six cut Allium species showed that disulfanes and polysulfanes were absent, which is consistent with these compounds being artifacts from handling and analysis.},\n\tnumber = {5},\n\tjournal = {Phosphorus, Sulfur, and Silicon and the Related Elements},\n\tauthor = {Block, E. and Dane, A.J. and Cody, R.B.},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {1085--1093},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Direct analysis in real-time mass spectrometry (DART-MS) under both positive-ion (PI) and negative-ion (NI) high-resolution (HR) conditions has been used to identify reactive sulfur-containing compounds formed from cutting seven different genus Allium species, garlic, onion, elephant garlic, leek, Chinese chives, and the ornamental species, Allium siculum and A. stipitatum. From cut garlic, PI-DART-MS shows allicin, allyl/methyl and dimethyl thiosulfinates, diallyl trisulfane S-oxide, allyl alcohol, and propene, whereas NI-DART-MS shows 2-propenesulfenic acid, 2-propenesulfinic acid, SO2, and pyruvate. From cut onion, PI-DART-MS shows mainly the lachrymatory factor (LF), along with much lower amounts of thiosulfinates, zwiebelanes, and a bis-sulfine. From cut elephant garlic, both allicin and LF are found, along with thiosulfinates and bis-sulfine. From cut leek, using PI-DART-MS, mixed methyl-1-propenyl-n-propyl thiosulfinates are found, whereas cut Chinese chive shows predominantly methyl with lesser amounts of mixed allyl/methyl thiosufinates. From cut A. siculum, PI-DART-MS shows butanethial S-oxide along with lesser amounts of mixed 1-butenyl/n-butyl/methyl thiosulfinates, while from cut A. stipitatum, N-hydroxy-2-pyridinethione (pyrithone) is seen. PI-DART-MS analysis of all six cut Allium species showed that disulfanes and polysulfanes were absent, which is consistent with these compounds being artifacts from handling and analysis.\n
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\n \n\n \n \n \n \n \n \n Ambient desorption ionization mass spectrometry (DART, DESI) and its bioanalytical applications.\n \n \n \n \n\n\n \n Morlock, G.\n\n\n \n\n\n\n Bioanalytical Reviews, 3(1): 1–9. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{morlock_ambient_2011,\n\ttitle = {Ambient desorption ionization mass spectrometry ({DART}, {DESI}) and its bioanalytical applications},\n\tvolume = {3},\n\tissn = {1867-2086},\n\turl = {http://dx.doi.org/10.1007/s12566-010-0019-5},\n\tdoi = {10.1007/s12566-010-0019-5},\n\tabstract = {In recent years, ambient desorption ionization techniques for mass spectrometry were introduced. Among them, the most established techniques are Direct Analysis in Real Time (DART) and Desorption Electrospray Ionization (DESI). Therefore, the current review focuses on the bioanalytical applications of ambient desorption ionization techniques by the example of DART and DESI mass spectrometry. The potential and also limitations of both ambient mass spectrometry (MS) techniques in such areas, as identification and quantitation of small molecules, coupling DART-MS and DESI-MS with planar chromatography, protein/peptide analysis, as well as molecular imaging applications, are discussed.},\n\tnumber = {1},\n\tjournal = {Bioanalytical Reviews},\n\tauthor = {Morlock, Gertrud},\n\tyear = {2011},\n\tkeywords = {Ambient mass spectrometry, Bioanalytical methods, Chemistry and Materials Science, Desorption electrospray ionization – DESI, Direct analysis in real time – DART, identification, quantitation},\n\tpages = {1--9},\n}\n\n\n\n
\n
\n\n\n
\n In recent years, ambient desorption ionization techniques for mass spectrometry were introduced. Among them, the most established techniques are Direct Analysis in Real Time (DART) and Desorption Electrospray Ionization (DESI). Therefore, the current review focuses on the bioanalytical applications of ambient desorption ionization techniques by the example of DART and DESI mass spectrometry. The potential and also limitations of both ambient mass spectrometry (MS) techniques in such areas, as identification and quantitation of small molecules, coupling DART-MS and DESI-MS with planar chromatography, protein/peptide analysis, as well as molecular imaging applications, are discussed.\n
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\n \n\n \n \n \n \n \n \n Surface swabbing technique for the rapid screening for pesticides using ambient pressure desorption ionization with high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Edison, S. E.; Lin, L. A.; Gamble, B. M.; Wong, J.; and Zhang, K.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(1): 127–139. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SurfacePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{edison_surface_2011,\n\ttitle = {Surface swabbing technique for the rapid screening for pesticides using ambient pressure desorption ionization with high-resolution mass spectrometry},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4831},\n\tdoi = {10.1002/rcm.4831},\n\tabstract = {A rapid screening method for pesticides has been developed to promote more efficient processing of produce entering the United States. Foam swabs were used to recover a multiclass mixture of 132 pesticides from the surfaces of grapes, apples, and oranges. The swabs were analyzed using direct analysis in real time (DART) ionization coupled with a high-resolution Exactive Orbitrap™ mass spectrometer. By using a DART helium temperature gradient from 100–350°C over 3 min, a minimal separation of analytes based on volatility differences was achieved. This, combined with the Exactive's mass resolution of 100 000, allowed the chromatographic step, along with the typical compositing and extraction steps associated with gas chromatography/mass spectrometry (GC/MS) or liquid chromatography/mass spectrometry (LC/MS) approaches, to be eliminated. Detection of 86\\% of the analytes present was consistently achieved at levels of 2 ng/g (per each apple or orange) and 10 ng/g (per grape). A resolution study was conducted with four pairs of isobaric compounds analyzed at a mass resolution of 100 000. Baseline separation was achieved with analyte ions differing in mass by 25 ppm and analyte ions with a mass difference of 10 ppm were partially resolved. In addition, field samples that had undergone traditional sample preparation using QuEChERS (quick, easy, cheap, rugged, and safe) were analyzed using both LC/MS and DART-MS and the results from the two techniques were found to be comparable in terms of identification of the pesticides present. The use of swabs greatly increased sample throughput by reducing sample preparation and analysis time. Published in 2010 by John Wiley \\& Sons, Ltd.},\n\tnumber = {1},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Edison, Sara. E. and Lin, Lora A. and Gamble, Bryan M. and Wong, Jon and Zhang, Kai},\n\tyear = {2011},\n\tkeywords = {Orbitrap},\n\tpages = {127--139},\n}\n\n\n\n
\n
\n\n\n
\n A rapid screening method for pesticides has been developed to promote more efficient processing of produce entering the United States. Foam swabs were used to recover a multiclass mixture of 132 pesticides from the surfaces of grapes, apples, and oranges. The swabs were analyzed using direct analysis in real time (DART) ionization coupled with a high-resolution Exactive Orbitrap™ mass spectrometer. By using a DART helium temperature gradient from 100–350°C over 3 min, a minimal separation of analytes based on volatility differences was achieved. This, combined with the Exactive's mass resolution of 100 000, allowed the chromatographic step, along with the typical compositing and extraction steps associated with gas chromatography/mass spectrometry (GC/MS) or liquid chromatography/mass spectrometry (LC/MS) approaches, to be eliminated. Detection of 86% of the analytes present was consistently achieved at levels of 2 ng/g (per each apple or orange) and 10 ng/g (per grape). A resolution study was conducted with four pairs of isobaric compounds analyzed at a mass resolution of 100 000. Baseline separation was achieved with analyte ions differing in mass by 25 ppm and analyte ions with a mass difference of 10 ppm were partially resolved. In addition, field samples that had undergone traditional sample preparation using QuEChERS (quick, easy, cheap, rugged, and safe) were analyzed using both LC/MS and DART-MS and the results from the two techniques were found to be comparable in terms of identification of the pesticides present. The use of swabs greatly increased sample throughput by reducing sample preparation and analysis time. Published in 2010 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n In-situ and Rapid Identification of Tea by Diect Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Zhang, J.; Zhang, W.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Chinese Journal of Chromatography, 29(7): 681–686. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhang_-situ_2011,\n\ttitle = {In-situ and {Rapid} {Identification} of {Tea} by {Diect} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {29},\n\tabstract = {By applying an ambient mass spectrometric method-direct analysis in real time mass spectrometry (DART MS), a method was developed for rapid identification of the principal constituents in different kinds of tea. The identification of different kinds of tea was also achieved by characteristic mass spectrometric signals. Under atmospheric pressure, DART MS method does not require any sample preparation, greatly reduces the analysis time, realizes the in situ, rapid, accurate, and high-throughput analysis.},\n\tnumber = {7},\n\tjournal = {Chinese Journal of Chromatography},\n\tauthor = {Zhang, J. and Zhang, W. and Zhou, Z. and Bai, Y. and Liu, H.},\n\tyear = {2011},\n\tkeywords = {ion trap; XCT},\n\tpages = {681--686},\n}\n\n\n\n
\n
\n\n\n
\n By applying an ambient mass spectrometric method-direct analysis in real time mass spectrometry (DART MS), a method was developed for rapid identification of the principal constituents in different kinds of tea. The identification of different kinds of tea was also achieved by characteristic mass spectrometric signals. Under atmospheric pressure, DART MS method does not require any sample preparation, greatly reduces the analysis time, realizes the in situ, rapid, accurate, and high-throughput analysis.\n
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\n \n\n \n \n \n \n \n \n Analysis of printing and writing papers by using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Adams, J.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 301(1–3): 109–126. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{adams_analysis_2011,\n\ttitle = {Analysis of printing and writing papers by using direct analysis in real time mass spectrometry},\n\tvolume = {301},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380610002617},\n\tdoi = {10.1016/j.ijms.2010.07.025},\n\tabstract = {A quick and direct method for identifying organic components of papers in library and archival collections with minimal destructive sampling is needed for preservation, forensic, and general purposes. Direct analysis in real time mass spectrometry (DART-MS) is used for characterizing 16 reference papers of known manufacture in terms of their pulp composition and pitch contaminants. Unique mass spectra are obtained from bleached kraft, chemithermomechanical, and stone groundwood pulp papers in real time without extractions, derivatizations, chromatographic separations, and other time- and chemical-consuming sample preparations. Phytosteroids are volatilized from bleached hardwood kraft but not from bleached softwood kraft papers, which differentiates the two of them. The kraft papers are in turn differentiated from chemithermomechanical pulp papers by lignin-derived thermolyis products: syringyl products arise from hardwood, but guaiacyl and coumaryl products arise from softwood, chemithermomechanical pulp papers. Stone groundwood papers contain a number of extractives that are volatilized, which serve to differentiate them from all the other papers. Papers that contain rosin vs. alkyl ketene dimer (AKD) sizings are immediately differentiated. The DART-MS methodology is fast and simple, and the spectra are repeatable. Microsamples as small as ∼10\\&\\#xa0;μg tweezed from the paper surface may be analyzed. These benchmark spectra are the prelude to further applications of DART-MS in paper research and the beginning of the development of a searchable library of DART-MS spectra of printing and writing papers by the Library of Congress.},\n\tnumber = {1–3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Adams, Jeanette},\n\tyear = {2011},\n\tkeywords = {AccuTOF, DART, Direct analysis in real time, Extractives, Lignin, Paper, Pulp},\n\tpages = {109--126},\n}\n\n\n\n
\n
\n\n\n
\n A quick and direct method for identifying organic components of papers in library and archival collections with minimal destructive sampling is needed for preservation, forensic, and general purposes. Direct analysis in real time mass spectrometry (DART-MS) is used for characterizing 16 reference papers of known manufacture in terms of their pulp composition and pitch contaminants. Unique mass spectra are obtained from bleached kraft, chemithermomechanical, and stone groundwood pulp papers in real time without extractions, derivatizations, chromatographic separations, and other time- and chemical-consuming sample preparations. Phytosteroids are volatilized from bleached hardwood kraft but not from bleached softwood kraft papers, which differentiates the two of them. The kraft papers are in turn differentiated from chemithermomechanical pulp papers by lignin-derived thermolyis products: syringyl products arise from hardwood, but guaiacyl and coumaryl products arise from softwood, chemithermomechanical pulp papers. Stone groundwood papers contain a number of extractives that are volatilized, which serve to differentiate them from all the other papers. Papers that contain rosin vs. alkyl ketene dimer (AKD) sizings are immediately differentiated. The DART-MS methodology is fast and simple, and the spectra are repeatable. Microsamples as small as ∼10 μg tweezed from the paper surface may be analyzed. These benchmark spectra are the prelude to further applications of DART-MS in paper research and the beginning of the development of a searchable library of DART-MS spectra of printing and writing papers by the Library of Congress.\n
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\n \n\n \n \n \n \n \n \n Thin layer chromatography/mass spectrometry.\n \n \n \n \n\n\n \n Cheng, S.; Huang, M.; and Shiea, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1218(19): 2700–2711. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ThinPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cheng_thin_2011,\n\ttitle = {Thin layer chromatography/mass spectrometry},\n\tvolume = {1218},\n\turl = {http://dx.doi.org/10.1016/j.chroma.2011.01.077},\n\tabstract = {Thin layer chromatography (TLC)—a simple, cost-effective, and easy-to-operate planar chromatographic technique—has been used in general chemistry laboratories for several decades to routinely separate chemical and biochemical compounds. Traditionally, chemical and optical methods are employed to visualize the analyte spots on the TLC plate. Because direct identification and structural characterization of the analytes on the TLC plate through these methods are not possible, there has been long-held interest in the development of interfaces that allow TLC to be combined with mass spectrometry (MS)—one of the most efficient analytical tools for structural elucidation. So far, many different TLC–MS techniques have been reported in the literature; some are commercially available. According to differences in their operational processes, the existing TLC–MS systems can be classified into two categories: (i) indirect mass spectrometric analyses, performed by scraping, extracting, purifying, and concentrating the analyte from the TLC plate and then directing it into the mass spectrometer's ion source for further analysis; (ii) direct mass spectrometric analyses, where the analyte on the TLC plate is characterized directly through mass spectrometry without the need for scraping, extraction, or concentration processes. Conventionally, direct TLC–MS analysis is performed under vacuum, but the development of ambient mass spectrometry has allowed analytes on TLC plates to be characterized under atmospheric pressure. Thus, TLC–MS techniques can also be classified into two other categories according to the working environment of the ion source: vacuum-based TLC–MS or ambient TLC–MS. This review article describes the state of the art of TLC–MS techniques used for indirect and direct characterization of analytes on the surfaces of TLC plates.},\n\tnumber = {19},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Cheng, Sy-Chyi and Huang, Min-Zong and Shiea, Jentaie},\n\tyear = {2011},\n\tkeywords = {Review; TLC–MS; Ambient ionization; Vacuum-based ionization; Desorption/ionization; Direct sampling; Indirect sampling},\n\tpages = {2700--2711},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Thin layer chromatography (TLC)—a simple, cost-effective, and easy-to-operate planar chromatographic technique—has been used in general chemistry laboratories for several decades to routinely separate chemical and biochemical compounds. Traditionally, chemical and optical methods are employed to visualize the analyte spots on the TLC plate. Because direct identification and structural characterization of the analytes on the TLC plate through these methods are not possible, there has been long-held interest in the development of interfaces that allow TLC to be combined with mass spectrometry (MS)—one of the most efficient analytical tools for structural elucidation. So far, many different TLC–MS techniques have been reported in the literature; some are commercially available. According to differences in their operational processes, the existing TLC–MS systems can be classified into two categories: (i) indirect mass spectrometric analyses, performed by scraping, extracting, purifying, and concentrating the analyte from the TLC plate and then directing it into the mass spectrometer's ion source for further analysis; (ii) direct mass spectrometric analyses, where the analyte on the TLC plate is characterized directly through mass spectrometry without the need for scraping, extraction, or concentration processes. Conventionally, direct TLC–MS analysis is performed under vacuum, but the development of ambient mass spectrometry has allowed analytes on TLC plates to be characterized under atmospheric pressure. Thus, TLC–MS techniques can also be classified into two other categories according to the working environment of the ion source: vacuum-based TLC–MS or ambient TLC–MS. This review article describes the state of the art of TLC–MS techniques used for indirect and direct characterization of analytes on the surfaces of TLC plates.\n
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\n \n\n \n \n \n \n \n \n Purification of pharmaceutical preparations using thin-layer chromatography to obtain mass spectra with Direct Analysis in Real Time and accurate mass spectrometry.\n \n \n \n \n\n\n \n Wood, J. L.; and Steiner, R. R.\n\n\n \n\n\n\n Drug Testing and Analysis, 3(6): 345–351. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PurificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wood_purification_2011,\n\ttitle = {Purification of pharmaceutical preparations using thin-layer chromatography to obtain mass spectra with {Direct} {Analysis} in {Real} {Time} and accurate mass spectrometry},\n\tvolume = {3},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.293},\n\tdoi = {10.1002/dta.293},\n\tabstract = {Forensic analysis of pharmaceutical preparations requires a comparative analysis with a standard of the suspected drug in order to identify the active ingredient. Purchasing analytical standards can be expensive or unattainable from the drug manufacturers. Direct Analysis in Real Time (DART™) is a novel, ambient ionization technique, typically coupled with a JEOL AccuTOF™ (accurate mass) mass spectrometer. While a fast and easy technique to perform, a drawback of using DART™ is the lack of component separation of mixtures prior to ionization. Various in-house pharmaceutical preparations were purified using thin-layer chromatography (TLC) and mass spectra were subsequently obtained using the AccuTOF™- DART™ technique. Utilizing TLC prior to sample introduction provides a simple, low-cost solution to acquiring mass spectra of the purified preparation. Each spectrum was compared against an in-house molecular formula list to confirm the accurate mass elemental compositions. Spectra of purified ingredients of known pharmaceuticals were added to an in-house library for use as comparators for casework samples. Resolving isomers from one another can be accomplished using collision-induced dissociation after ionization. Challenges arose when the pharmaceutical preparation required an optimized TLC solvent to achieve proper separation and purity of the standard. Purified spectra were obtained for 91 preparations and included in an in-house drug standard library. Primary standards would only need to be purchased when pharmaceutical preparations not previously encountered are submitted for comparative analysis. TLC prior to DART™ analysis demonstrates a time efficient and cost saving technique for the forensic drug analysis community. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {6},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Wood, Jessica L. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Direct analysis in real time, forensic science, pharmaceutical preparations, thin-layer chromatography, time of flight},\n\tpages = {345--351},\n}\n\n\n\n
\n
\n\n\n
\n Forensic analysis of pharmaceutical preparations requires a comparative analysis with a standard of the suspected drug in order to identify the active ingredient. Purchasing analytical standards can be expensive or unattainable from the drug manufacturers. Direct Analysis in Real Time (DART™) is a novel, ambient ionization technique, typically coupled with a JEOL AccuTOF™ (accurate mass) mass spectrometer. While a fast and easy technique to perform, a drawback of using DART™ is the lack of component separation of mixtures prior to ionization. Various in-house pharmaceutical preparations were purified using thin-layer chromatography (TLC) and mass spectra were subsequently obtained using the AccuTOF™- DART™ technique. Utilizing TLC prior to sample introduction provides a simple, low-cost solution to acquiring mass spectra of the purified preparation. Each spectrum was compared against an in-house molecular formula list to confirm the accurate mass elemental compositions. Spectra of purified ingredients of known pharmaceuticals were added to an in-house library for use as comparators for casework samples. Resolving isomers from one another can be accomplished using collision-induced dissociation after ionization. Challenges arose when the pharmaceutical preparation required an optimized TLC solvent to achieve proper separation and purity of the standard. Purified spectra were obtained for 91 preparations and included in an in-house drug standard library. Primary standards would only need to be purchased when pharmaceutical preparations not previously encountered are submitted for comparative analysis. TLC prior to DART™ analysis demonstrates a time efficient and cost saving technique for the forensic drug analysis community. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Increasing the rate of sample vaporization in an open air desorption ionization source by using a heated metal screen as a sample holder.\n \n \n \n\n\n \n Krechmer, J.; Tice, J.; Crawford, E.; and Musselman, B.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(17): 2384–2388. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{krechmer_increasing_2011,\n\ttitle = {Increasing the rate of sample vaporization in an open air desorption ionization source by using a heated metal screen as a sample holder},\n\tvolume = {25},\n\tdoi = {10.1002/rcm.5133},\n\tabstract = {Rapid vaporization of sample into the ionizing gas exiting a direct analysis in real time (DARTW) source has been enabled by directing a high electrical current through a metal wire screen to which sample has been applied. This direct heating of the screen enables rapid vaporization of sample as the wire temperature rises from room temperature to greater than 400C in less than 20s. Positioning the screen between the DARTsource and atmospheric pressure inlet of the mass spectrometer ensures that the ionizing gas is in close proximity to the sample molecules, resulting in efficient ionization while significantly reducing the time required for mass spectrometric analysis. The capability to modulate the electrical current flow through the wires facilitates either rapid desorption for the determination of single component samples or slower desorption where analysis of mixtures might be desired. The technology also enables deployment of strategies for the determination of chemicals present as powders that might otherwise require dissolution prior to analysis. Results from the use of this thermally assisted DART (‘TA-DART’) system for the analysis of pure compounds, simple mixtures, solids and low vapor pressure samples are presented.},\n\tnumber = {17},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Krechmer, Jordan and Tice, Joseph and Crawford, Elizabeth and Musselman, Brian},\n\tyear = {2011},\n\tkeywords = {Agilent Quad},\n\tpages = {2384--2388},\n}\n\n\n\n
\n
\n\n\n
\n Rapid vaporization of sample into the ionizing gas exiting a direct analysis in real time (DARTW) source has been enabled by directing a high electrical current through a metal wire screen to which sample has been applied. This direct heating of the screen enables rapid vaporization of sample as the wire temperature rises from room temperature to greater than 400C in less than 20s. Positioning the screen between the DARTsource and atmospheric pressure inlet of the mass spectrometer ensures that the ionizing gas is in close proximity to the sample molecules, resulting in efficient ionization while significantly reducing the time required for mass spectrometric analysis. The capability to modulate the electrical current flow through the wires facilitates either rapid desorption for the determination of single component samples or slower desorption where analysis of mixtures might be desired. The technology also enables deployment of strategies for the determination of chemicals present as powders that might otherwise require dissolution prior to analysis. Results from the use of this thermally assisted DART (‘TA-DART’) system for the analysis of pure compounds, simple mixtures, solids and low vapor pressure samples are presented.\n
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\n \n\n \n \n \n \n \n Study on rapid and direct analysis of illegally added six PDE5 inhibitors in health food by DART-MS/MS method.\n \n \n \n\n\n \n CHENG, Xian-lon; LI ,Wen-jie; LI, Wei-jian; XIAO, Xin-yue; LIN, Rui-chao; and WEI, Feng\n\n\n \n\n\n\n Chinese Journal of Pharmaceutical Analysis, 31: 438–442. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cheng_xian-lon_study_2011,\n\ttitle = {Study on rapid and direct analysis of illegally added six {PDE5} inhibitors in health food by {DART}-{MS}/{MS} method},\n\tvolume = {31},\n\tdoi = {CNKI:SUN:YWFX.0.2011-03-005},\n\tabstract = {To develop a directed analysis of 6 phosphodiesterase 5(PDE5)inhibitors:sildenafil,tadalafil,acetildenafil,hydroxyhomosildenafil,aminotadalafil,pseudo-vardenfil in health food.Methods:Triple quadrupol MS with DART ion souce was used to perform the direct analysis.The DART sampler delivery rate was 0.2 mm·s-1.The temperature of carry gas of DART was 450 ℃.The capillary voltage was kept at 4 kV.The temperature of the drying gas of triple quadrupol MS was set at 350 ℃.The flow rate of the drying gas of triple quadrupol MS was set at 10 L·min-1,respectively.Product ion scan mode was used with scan range from 50-550 amu.The precursor ions were set as m/z 475.1(sildenafil),m/z 467.2(acetildenafil),m/z 505.1(hydroxyhomosildenafil),m/z 390.1(tadalafil),m/z 391.2(aminotadalafil),m/z 460.3(pseudo-vardenfil).The identification was performed by comparing the mass spectrum of detected peak in samples with the mass spectrum of peak in reference substance.Results:The limit of detection for each of 6 PDE5 inhibitors was under 1 μg·g-1.Sildenafil was detected in 6 samples,and tadalafil was detected in 1 sample.Conclusion:The method is employed to simultaneous detection of 6 PDE5 inhibitors in health food.},\n\tjournal = {Chinese Journal of Pharmaceutical Analysis},\n\tauthor = {{CHENG, Xian-lon} and {LI ,Wen-jie} and {LI, Wei-jian} and {XIAO, Xin-yue} and {LIN, Rui-chao} and {WEI, Feng}},\n\tyear = {2011},\n\tpages = {438--442},\n}\n\n\n\n
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\n To develop a directed analysis of 6 phosphodiesterase 5(PDE5)inhibitors:sildenafil,tadalafil,acetildenafil,hydroxyhomosildenafil,aminotadalafil,pseudo-vardenfil in health food.Methods:Triple quadrupol MS with DART ion souce was used to perform the direct analysis.The DART sampler delivery rate was 0.2 mm·s-1.The temperature of carry gas of DART was 450 ℃.The capillary voltage was kept at 4 kV.The temperature of the drying gas of triple quadrupol MS was set at 350 ℃.The flow rate of the drying gas of triple quadrupol MS was set at 10 L·min-1,respectively.Product ion scan mode was used with scan range from 50-550 amu.The precursor ions were set as m/z 475.1(sildenafil),m/z 467.2(acetildenafil),m/z 505.1(hydroxyhomosildenafil),m/z 390.1(tadalafil),m/z 391.2(aminotadalafil),m/z 460.3(pseudo-vardenfil).The identification was performed by comparing the mass spectrum of detected peak in samples with the mass spectrum of peak in reference substance.Results:The limit of detection for each of 6 PDE5 inhibitors was under 1 μg·g-1.Sildenafil was detected in 6 samples,and tadalafil was detected in 1 sample.Conclusion:The method is employed to simultaneous detection of 6 PDE5 inhibitors in health food.\n
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\n \n\n \n \n \n \n \n \n Development and validation of AccuTOF-DART™ as a screening method for analysis of bank security device and pepper spray components.\n \n \n \n \n\n\n \n Pfaff, A. M.; and Steiner, R. R.\n\n\n \n\n\n\n Forensic Science International, 206(1–3): 62–70. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DevelopmentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{pfaff_development_2011,\n\ttitle = {Development and validation of {AccuTOF}-{DART}™ as a screening method for analysis of bank security device and pepper spray components},\n\tvolume = {206},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073810003154},\n\tdoi = {10.1016/j.forsciint.2010.06.018},\n\tabstract = {Analysis of bank security devices, containing 1-methylaminoanthraquinone (MAAQ) and o-chlorobenzylidenemalononitrile (CS), and pepper sprays, containing capsaicin, is a lengthy process with no specific screening technique to aid in identifying samples of interest. Direct Analysis in Real Time (DART™) ionization coupled with an Accurate Time of Flight (AccuTOF) mass detector is a fast, ambient ionization source that could significantly reduce time spent on these cases and increase the specificity of the screening process. A new method for screening clothing for bank dye and pepper spray, using AccuTOF-DART™ analysis, has been developed. Detection of MAAQ, CS, and capsaicin was achieved via extraction of each compound onto cardstock paper, which was then sampled in the AccuTOF-DART™. All results were verified using gas chromatography coupled with electron impact mass spectrometry.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Pfaff, Allison M. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {Bank dye, Direct analysis in real time, Forensic science; Bank dye; Pepper spray; Direct Analysis in Real Time; Mass spectrometry; Time of flight; AccuTOF, Pepper spray, forensic science, mass spectrometry, time of flight},\n\tpages = {62--70},\n}\n\n\n\n
\n
\n\n\n
\n Analysis of bank security devices, containing 1-methylaminoanthraquinone (MAAQ) and o-chlorobenzylidenemalononitrile (CS), and pepper sprays, containing capsaicin, is a lengthy process with no specific screening technique to aid in identifying samples of interest. Direct Analysis in Real Time (DART™) ionization coupled with an Accurate Time of Flight (AccuTOF) mass detector is a fast, ambient ionization source that could significantly reduce time spent on these cases and increase the specificity of the screening process. A new method for screening clothing for bank dye and pepper spray, using AccuTOF-DART™ analysis, has been developed. Detection of MAAQ, CS, and capsaicin was achieved via extraction of each compound onto cardstock paper, which was then sampled in the AccuTOF-DART™. All results were verified using gas chromatography coupled with electron impact mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Thin Layer Chromatography/Plasma Assisted Multiwavelength Laser Desorption Ionization Mass Spectrometry for Facile Separation and Selective Identification of Low Molecular Weight Compounds.\n \n \n \n \n\n\n \n Zhang, J.; Zhou, Z.; Yang, J.; Zhang, W.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Anal. Chem., 84(3): 1496–1503. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ThinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zhang_thin_2011,\n\ttitle = {Thin {Layer} {Chromatography}/{Plasma} {Assisted} {Multiwavelength} {Laser} {Desorption} {Ionization} {Mass} {Spectrometry} for {Facile} {Separation} and {Selective} {Identification} of {Low} {Molecular} {Weight} {Compounds}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac202732y},\n\tdoi = {10.1021/ac202732y},\n\tabstract = {A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.\nA novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.},\n\tnumber = {3},\n\tjournal = {Anal. Chem.},\n\tauthor = {Zhang, Jialing and Zhou, Zhigui and Yang, Jianwang and Zhang, Wei and Bai, Yu and Liu, Huwei},\n\tyear = {2011},\n\tkeywords = {DART, LDI, laser desorption, TLC},\n\tpages = {1496--1503},\n}\n\n\n\n
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\n\n\n
\n A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2. A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.\n
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\n \n\n \n \n \n \n \n Analytical methods for the quantification of volatile aromatic compounds.\n \n \n \n\n\n \n Biniecka, M.; and Caroli, S.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry, 30(11): 1756–1770. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{biniecka_analytical_2011,\n\ttitle = {Analytical methods for the quantification of volatile aromatic compounds},\n\tvolume = {30},\n\tabstract = {The investigation of odorants is not an easy task, which needs to be undertaken in the context of fit-for-purpose quality systems. To date, great attention has been paid to determination of the volatile fractions of odorants, since they are responsible for the attributes of global flavor [i.e. a combination of olfactory (aroma) and gustatory (taste) sensations produced by chemicals]. This kind of determination can be carried out by analytical techniques [e.g., gas chromatography (GC) combined with mass spectrometry and/or olfactometric GC]. Methods complementary to GC analysis are available, allowing assessment of the olfactory impact by an electronic nose (e-nose) or a panel of selected individuals. Also, we consider some innovative analytical techniques to study the effects of odorants in food during consumption.},\n\tnumber = {11},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Biniecka, Małgorzata and Caroli, Sergio},\n\tyear = {2011},\n\tkeywords = {Analytical method; Electronic nose; Food odorant; Gas chromatography; Mass spectrometry; Odorant; Odorant determination; Olfactometric gas chromatography; Volatile aromatic compound},\n\tpages = {1756--1770},\n}\n\n\n\n
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\n The investigation of odorants is not an easy task, which needs to be undertaken in the context of fit-for-purpose quality systems. To date, great attention has been paid to determination of the volatile fractions of odorants, since they are responsible for the attributes of global flavor [i.e. a combination of olfactory (aroma) and gustatory (taste) sensations produced by chemicals]. This kind of determination can be carried out by analytical techniques [e.g., gas chromatography (GC) combined with mass spectrometry and/or olfactometric GC]. Methods complementary to GC analysis are available, allowing assessment of the olfactory impact by an electronic nose (e-nose) or a panel of selected individuals. Also, we consider some innovative analytical techniques to study the effects of odorants in food during consumption.\n
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\n \n\n \n \n \n \n \n Direct Identification of Dyes in Textiles by Direct Analysis in Real Time-Time of Flight Mass Spectrometry.\n \n \n \n\n\n \n Deroo, C. S.; and Armitage, R. A.\n\n\n \n\n\n\n Analytical Chemistry, 83(18): 6924–6928. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{deroo_direct_2011,\n\ttitle = {Direct {Identification} of {Dyes} in {Textiles} by {Direct} {Analysis} in {Real} {Time}-{Time} of {Flight} {Mass} {Spectrometry}},\n\tvolume = {83},\n\tdoi = {10.1021/ac201747s},\n\tabstract = {We present here a method requiring no sample preparation for direct identification of the organic dye compounds quercetin, indigotin, and alizarin in reference materials, in solution, and also in situ in dyed fibers by use of direct analysis in real time (DART) ionization and high-resolution time-of-flight mass spectrometry. Exact mass determinations on small samples of dyed textiles were completed in less than 1 min. With the ability to identify flavonoid, indigoid, and anthraquinone classes of dyes, this technique shows early promise as an additional analytical tool in the challenging analysis of organic dyes in rare cultural heritage materials and possesses the unique advantages of sensitivity and simplicity without the preparatory procedures required by other methods.},\n\tnumber = {18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Deroo, Cathy Selvius and Armitage, Ruth Ann},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {6924--6928},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n We present here a method requiring no sample preparation for direct identification of the organic dye compounds quercetin, indigotin, and alizarin in reference materials, in solution, and also in situ in dyed fibers by use of direct analysis in real time (DART) ionization and high-resolution time-of-flight mass spectrometry. Exact mass determinations on small samples of dyed textiles were completed in less than 1 min. With the ability to identify flavonoid, indigoid, and anthraquinone classes of dyes, this technique shows early promise as an additional analytical tool in the challenging analysis of organic dyes in rare cultural heritage materials and possesses the unique advantages of sensitivity and simplicity without the preparatory procedures required by other methods.\n
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\n \n\n \n \n \n \n \n \n Identification of ambiguous cubeb fruit by DART-MS-based fingerprinting combined with principal component analysis.\n \n \n \n \n\n\n \n Kim, H. J.; Baek, W. S.; and Jang, Y. P.\n\n\n \n\n\n\n Food Chemistry, 129(3): 1305–1310. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kim_identification_2011,\n\ttitle = {Identification of ambiguous cubeb fruit by {DART}-{MS}-based fingerprinting combined with principal component analysis},\n\tvolume = {129},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814611007862},\n\tdoi = {10.1016/j.foodchem.2011.05.083},\n\tabstract = {The cubeb berry has been used as a spice and medicinal herb since medieval times. In China, Litsea cubeba (Lauraceae) has been designated as the cubeb tree; in other countries, Piper cubeba (Piperaceae) is considered as the cubeb. Since most cubeb berries in the Korean market are imported from China, there is a need to develop an efficient analytical method for the identification of the origin of cubeb fruit. Thirty-two commercial cubeb samples were collected from China, Korea, and Indonesia, and direct analysis in real time mass spectrometry (DART-MS) was employed to obtain a chemical fingerprint of each sample for multivariate analysis. Cubebene was identified as a marker molecule for P. cubeba, and all cubeb samples from Korean markets were identified as the fruit of L. cubeba. DART-MS fingerprinting together with principal component analysis can be applied as a promising method for rapid identification and/or quality control of cubeb berries.},\n\tnumber = {3},\n\tjournal = {Food Chemistry},\n\tauthor = {Kim, Hye Jin and Baek, Wan Sook and Jang, Young Pyo},\n\tyear = {2011},\n\tkeywords = {Cubeb berries, Cubeb berries; Piper cubeba; Litsea cubeba; DART-MS; Principal component analysis; AccuTOF, DART-MS, Litsea cubeba, Piper cubeba, Principal component analysis},\n\tpages = {1305--1310},\n}\n\n\n\n
\n
\n\n\n
\n The cubeb berry has been used as a spice and medicinal herb since medieval times. In China, Litsea cubeba (Lauraceae) has been designated as the cubeb tree; in other countries, Piper cubeba (Piperaceae) is considered as the cubeb. Since most cubeb berries in the Korean market are imported from China, there is a need to develop an efficient analytical method for the identification of the origin of cubeb fruit. Thirty-two commercial cubeb samples were collected from China, Korea, and Indonesia, and direct analysis in real time mass spectrometry (DART-MS) was employed to obtain a chemical fingerprint of each sample for multivariate analysis. Cubebene was identified as a marker molecule for P. cubeba, and all cubeb samples from Korean markets were identified as the fruit of L. cubeba. DART-MS fingerprinting together with principal component analysis can be applied as a promising method for rapid identification and/or quality control of cubeb berries.\n
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\n \n\n \n \n \n \n \n \n Challenging applications offered by direct analysis in real time (DART) in food-quality and safety analysis.\n \n \n \n \n\n\n \n Hajslova, J.; Cajka, T.; and Vaclavik, L.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry, 30(2): 204–218. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ChallengingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{hajslova_challenging_2011,\n\ttitle = {Challenging applications offered by direct analysis in real time ({DART}) in food-quality and safety analysis},\n\tvolume = {30},\n\tissn = {0165-9936},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0165993610003134},\n\tdoi = {10.1016/j.trac.2010.11.001},\n\tabstract = {Direct analysis in real time (DART) is an ambient ionization technique undergoing rapid development. With minimal sample pre-treatment, ionization of analyte molecules outside the mass spectrometry (MS) instrument in the ordinary atmosphere is feasible. This ionization approach relies upon the fundamental principles of atmospheric pressure chemical ionization.\n\nThe current review highlights and critically assesses application of DART (and some related desorption/ionization techniques) coupled to various types of MS analyzers for both target and non-target analysis of complex food matrices. Based on existing studies, DART-MS is presented as a simple, high-throughput tool for:(i)\nqualitative confirmation of chemical identity;\n(ii)\nmetabolomic fingerprinting/profiling; and,\n(iii)\nquantification of low-molecular-weight food components, including some trace organic contaminants.\n\n\nWith regard to regulatory requirements, we mention practical aspects of DART-MS use, as well as performance characteristics that can be attained.},\n\tnumber = {2},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Hajslova, Jana and Cajka, Tomas and Vaclavik, Lukas},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Ambient ionization, Atmospheric pressure chemical ionization, Contaminant, DART, Direct analysis in real time, Fingerprinting, Food quality, Food safety, Profiling, mass spectrometry},\n\tpages = {204--218},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is an ambient ionization technique undergoing rapid development. With minimal sample pre-treatment, ionization of analyte molecules outside the mass spectrometry (MS) instrument in the ordinary atmosphere is feasible. This ionization approach relies upon the fundamental principles of atmospheric pressure chemical ionization. The current review highlights and critically assesses application of DART (and some related desorption/ionization techniques) coupled to various types of MS analyzers for both target and non-target analysis of complex food matrices. Based on existing studies, DART-MS is presented as a simple, high-throughput tool for:(i) qualitative confirmation of chemical identity; (ii) metabolomic fingerprinting/profiling; and, (iii) quantification of low-molecular-weight food components, including some trace organic contaminants. With regard to regulatory requirements, we mention practical aspects of DART-MS use, as well as performance characteristics that can be attained.\n
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\n \n\n \n \n \n \n \n \n Clarification of the composition of [M+18] ions in DART mass spectra of polyethylene glycol using high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E.; Ovcharov, M.; Zatonskii, G.; Abramovich, R.; and Revelskii, I.\n\n\n \n\n\n\n Journal of Analytical Chemistry, 66(13): 1348–1351. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ClarificationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_clarification_2011,\n\ttitle = {Clarification of the composition of [{M}+18] ions in {DART} mass spectra of polyethylene glycol using high-resolution mass spectrometry},\n\tvolume = {66},\n\tissn = {1061-9348},\n\turl = {http://dx.doi.org/10.1134/S1061934811130016},\n\tabstract = {10.1134/S1061934811130016},\n\tnumber = {13},\n\tjournal = {Journal of Analytical Chemistry},\n\tauthor = {Chernetsova, E. and Ovcharov, M. and Zatonskii, G. and Abramovich, R. and Revelskii, I.},\n\tyear = {2011},\n\tpages = {1348--1351},\n}\n\n\n\n
\n
\n\n\n
\n 10.1134/S1061934811130016\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time coupled with dried spot sampling for bioanalysis in a drug-discovery setting.\n \n \n \n \n\n\n \n Crawford, E.; Gordon, J.; Wu, J.; Musselman, B.; Liu, R.; and Yu, S.\n\n\n \n\n\n\n Bioanalysis, 3(11): 1217–1226. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{crawford_direct_2011,\n\ttitle = {Direct analysis in real time coupled with dried spot sampling for bioanalysis in a drug-discovery setting},\n\tvolume = {3},\n\tissn = {1757-6180},\n\turl = {http://dx.doi.org/10.4155/bio.11.99},\n\tdoi = {10.4155/bio.11.99},\n\tabstract = {Background: Conventional mouse or rat pharmacokinetic/toxicokinetic (PK/TK) studies frequently require sacrifice or use of multiple animals for a full time-course in order to obtain adequate blood volume. Currently accepted LC–MS/MS analyses require tedious sample preparation and large blood volume, therefore, a bioanalytical method with a simpler blood-sampling procedure using fewer animals, lower sample volume and no additional sample preparation is desirable. Results: We have developed a method that combines the direct analysis in real time (DART) open-air ambient ionization source and MS/MS to directly analyze dried blood spots (DBS) on glass from low volume whole blood samples without additional sample preparation or manipulation of the spots. Single mouse serial bleeding was performed for sample collection for DART-MS/MS and the results were comparable to the conventional terminal bleeding method for LC–MS/MS. Conclusion: The DART-MS/MS method was applied to DBS sampling for PK/TK studies and also for in vitro screening of absorption, distribution, metabolism and excretion properties. The results from the DART-MS/MS approach correlated well with the LC–MS/MS analyses for comparison.},\n\tnumber = {11},\n\tjournal = {Bioanalysis},\n\tauthor = {Crawford, Elizabeth and Gordon, Justin and Wu, Jing-Tao and Musselman, Brian and Liu, Ray and Yu, Shaoxia},\n\tyear = {2011},\n\tpages = {1217--1226},\n}\n\n\n\n
\n
\n\n\n
\n Background: Conventional mouse or rat pharmacokinetic/toxicokinetic (PK/TK) studies frequently require sacrifice or use of multiple animals for a full time-course in order to obtain adequate blood volume. Currently accepted LC–MS/MS analyses require tedious sample preparation and large blood volume, therefore, a bioanalytical method with a simpler blood-sampling procedure using fewer animals, lower sample volume and no additional sample preparation is desirable. Results: We have developed a method that combines the direct analysis in real time (DART) open-air ambient ionization source and MS/MS to directly analyze dried blood spots (DBS) on glass from low volume whole blood samples without additional sample preparation or manipulation of the spots. Single mouse serial bleeding was performed for sample collection for DART-MS/MS and the results were comparable to the conventional terminal bleeding method for LC–MS/MS. Conclusion: The DART-MS/MS method was applied to DBS sampling for PK/TK studies and also for in vitro screening of absorption, distribution, metabolism and excretion properties. The results from the DART-MS/MS approach correlated well with the LC–MS/MS analyses for comparison.\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry employing a DART ion source for metabolomic fingerprinting/profiling: a powerful tool for beer origin recognition.\n \n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Metabolomics, 7(4): 500–508. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cajka_ambient_2011,\n\ttitle = {Ambient mass spectrometry employing a {DART} ion source for metabolomic fingerprinting/profiling: a powerful tool for beer origin recognition},\n\tvolume = {7},\n\tissn = {1573-3882},\n\turl = {http://dx.doi.org/10.1007/s11306-010-0266-z},\n\tdoi = {10.1007/s11306-010-0266-z},\n\tabstract = {A metabolomic fingerprinting/profiling generated by ambient mass spectrometry (MS) employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) was employed as a tool for beer origin recognition. In a first step, the DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in beer samples (direct measurement, no sample preparation). In the next step, metabolomic profiles (mass spectra) of a large set of different beer brands (Trappist and non-Trappist specialty beers) were acquired. In the final phase, the experimental data were analyzed using partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) with the aim of distinguishing (i) the beers labeled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. The best prediction ability was obtained for the model that distinguished the group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided ≥95\\% correct classification. The current study showed that DART–TOFMS metabolomic fingerprinting/profiling is a powerful analytical strategy enabling quality monitoring/authenticity assessment to be conducted in real time.},\n\tnumber = {4},\n\tjournal = {Metabolomics},\n\tauthor = {Cajka, Tomas and Riddellova, Katerina and Tomaniova, Monika and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {Beer; Authenticity; Traceability; Direct analysis in real time; Mass spectrometry; Multivariate analysis; Metabolomic fingerprinting/profiling; AccuTOF},\n\tpages = {500--508},\n}\n\n\n\n
\n
\n\n\n
\n A metabolomic fingerprinting/profiling generated by ambient mass spectrometry (MS) employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) was employed as a tool for beer origin recognition. In a first step, the DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in beer samples (direct measurement, no sample preparation). In the next step, metabolomic profiles (mass spectra) of a large set of different beer brands (Trappist and non-Trappist specialty beers) were acquired. In the final phase, the experimental data were analyzed using partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) with the aim of distinguishing (i) the beers labeled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. The best prediction ability was obtained for the model that distinguished the group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided ≥95% correct classification. The current study showed that DART–TOFMS metabolomic fingerprinting/profiling is a powerful analytical strategy enabling quality monitoring/authenticity assessment to be conducted in real time.\n
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\n \n\n \n \n \n \n \n \n Danshen extract does not alter pharmacokinetics of docetaxel and clopidogrel, reflecting its negligible potential in P-glycoprotein- and cytochrome P4503A-mediated herb–drug interactions.\n \n \n \n \n\n\n \n Lee, J. H.; Shin, Y.; Kim, H. J.; Oh, J.; Jang, Y. P.; and Lee, Y.\n\n\n \n\n\n\n International Journal of Pharmaceutics, 410(1-2): 68–74. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DanshenPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{lee_danshen_2011,\n\ttitle = {Danshen extract does not alter pharmacokinetics of docetaxel and clopidogrel, reflecting its negligible potential in {P}-glycoprotein- and cytochrome {P4503A}-mediated herb–drug interactions},\n\tvolume = {410},\n\turl = {http://dx.doi.org/10.1016/j.ijpharm.2011.03.031},\n\tabstract = {Danshen (Salvia miltiorrhiza) contains tanshinones, which inhibit P-glycoprotein (P-gp) and the cytochrome P450 (CYP) system. In the present study, we evaluated the possible pharmacokinetic interactions of Danshen extract with docetaxel and clopidogrel in rats. Docetaxel (5 mg/kg intravenously and 40 mg/kg orally) or clopidogrel (30 mg/kg orally) was administered to rats with or without oral co-administration of Danshen (400 mg/kg). Co-administration of Danshen did not affect the plasma concentration profiles and pharmacokinetic parameters of docetaxel and clopidogrel, whereas cyclosporine A, a P-gp and CYP3A inhibitor, significantly influenced the pharmacokinetics of co-administered docetaxel and clopidogrel. Orally administered Danshen had no substantial effect on the pharmacokinetics of docetaxel and clopidogrel, suggesting the negligible safety concern of Danshen in P-gp- and CYP3A-mediated interactions in vivo.},\n\tnumber = {1-2},\n\tjournal = {International Journal of Pharmaceutics},\n\tauthor = {Lee, Joo Hyun and Shin, Yong-Jun and Kim, Hye Jin and Oh, Ju-Hee and Jang, Young Pyo and Lee, Young-Joo},\n\tyear = {2011},\n\tkeywords = {Danshen; Docetaxel; Clopidogrel; Pharmacokinetic interaction; P-glycoprotein; Cytochrome P450 3A; AccuTOF},\n\tpages = {68--74},\n}\n\n\n\n
\n
\n\n\n
\n Danshen (Salvia miltiorrhiza) contains tanshinones, which inhibit P-glycoprotein (P-gp) and the cytochrome P450 (CYP) system. In the present study, we evaluated the possible pharmacokinetic interactions of Danshen extract with docetaxel and clopidogrel in rats. Docetaxel (5 mg/kg intravenously and 40 mg/kg orally) or clopidogrel (30 mg/kg orally) was administered to rats with or without oral co-administration of Danshen (400 mg/kg). Co-administration of Danshen did not affect the plasma concentration profiles and pharmacokinetic parameters of docetaxel and clopidogrel, whereas cyclosporine A, a P-gp and CYP3A inhibitor, significantly influenced the pharmacokinetics of co-administered docetaxel and clopidogrel. Orally administered Danshen had no substantial effect on the pharmacokinetics of docetaxel and clopidogrel, suggesting the negligible safety concern of Danshen in P-gp- and CYP3A-mediated interactions in vivo.\n
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\n \n\n \n \n \n \n \n Simple and Rapid Screening for Methamphetamine and 3,4-Methylene- dioxymethamphetamine (MDMA) and Their Metabolites in Urine Using Direct Analysis in Real Time (DART)-TOFMS.\n \n \n \n\n\n \n Kawamura, M.; Kikura-Hanajiri, R.; and Goda, Y.\n\n\n \n\n\n\n Yakugaku Zasshi, 131(5): 827–833. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{kawamura_simple_2011,\n\ttitle = {Simple and {Rapid} {Screening} for {Methamphetamine} and 3,4-{Methylene}- dioxymethamphetamine ({MDMA}) and {Their} {Metabolites} in {Urine} {Using} {Direct} {Analysis} in {Real} {Time} ({DART})-{TOFMS}},\n\tvolume = {131},\n\tdoi = {10.1248/yakushi.131.827},\n\tabstract = {An ionization technique, direct analysis in real time (DART) has recently been developed for the ambient ionization of a variety samples. The DART coupled with time-of-flight mass spectrometry (TOFMS) would be useful as a simple and rapid screening for the targeted compounds in various samples, because it provides the molecular information of these compounds without time-consuming extraction. In this study, we investigated rapid screening methods of illicit drugs and their metabolites, such as methamphetamine (MA), 3,4-methylenedioxymethamphetamine (MDMA), amphetamine (AP) and 3,4-methylenedioxyamphetamine (MDA) in human urine using DART-TOFMS. As serious matrix effects caused by urea in urine samples and ionizations of the targeted compounds were greatly suppressed in the DART-TOFMS analyses, simple pretreatment methods to remove the urea from the samples were investigated. When a pipette tip-type solid-phase extraction with a dichloromethane and isopropanol mixed solution as an eluent was used for the pretreatment, the limits of detection (LODs) of 4 compounds added to control urine samples were 0.25 μg/ml. On the other hand, the LODs of these compounds were 0.5 μg/ml by a liquid-liquid extraction using a dichloromethane and hexane mixed solution. In both extractions, the recoveries of 4 compounds from urine samples were over 70\\% and these extraction methods showed good linearity in the range of 0.5-5 μg/ml by GC-MS analyses. In conclusion, our proposed method using DART-TOFMS could simultaneously detect MA, MDMA and their metabolites in urine at 0.5 μg/ml without time-consuming pretreatment steps. Therefore it would be useful for screening drugs in urine with the molecular information.},\n\tnumber = {5},\n\tjournal = {Yakugaku Zasshi},\n\tauthor = {Kawamura, M. and Kikura-Hanajiri, R. and Goda, Y.},\n\tyear = {2011},\n\tkeywords = {direct analysis in real time; methamphetamine; 3,4-methylenedioxymethamphetamine; urine; time-of-flight mass spectrometry; AccuTOF},\n\tpages = {827--833},\n}\n\n\n\n
\n
\n\n\n
\n An ionization technique, direct analysis in real time (DART) has recently been developed for the ambient ionization of a variety samples. The DART coupled with time-of-flight mass spectrometry (TOFMS) would be useful as a simple and rapid screening for the targeted compounds in various samples, because it provides the molecular information of these compounds without time-consuming extraction. In this study, we investigated rapid screening methods of illicit drugs and their metabolites, such as methamphetamine (MA), 3,4-methylenedioxymethamphetamine (MDMA), amphetamine (AP) and 3,4-methylenedioxyamphetamine (MDA) in human urine using DART-TOFMS. As serious matrix effects caused by urea in urine samples and ionizations of the targeted compounds were greatly suppressed in the DART-TOFMS analyses, simple pretreatment methods to remove the urea from the samples were investigated. When a pipette tip-type solid-phase extraction with a dichloromethane and isopropanol mixed solution as an eluent was used for the pretreatment, the limits of detection (LODs) of 4 compounds added to control urine samples were 0.25 μg/ml. On the other hand, the LODs of these compounds were 0.5 μg/ml by a liquid-liquid extraction using a dichloromethane and hexane mixed solution. In both extractions, the recoveries of 4 compounds from urine samples were over 70% and these extraction methods showed good linearity in the range of 0.5-5 μg/ml by GC-MS analyses. In conclusion, our proposed method using DART-TOFMS could simultaneously detect MA, MDMA and their metabolites in urine at 0.5 μg/ml without time-consuming pretreatment steps. Therefore it would be useful for screening drugs in urine with the molecular information.\n
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\n \n\n \n \n \n \n \n Ambient ionization mass spectrometry: A tutorial.\n \n \n \n\n\n \n Huang, M.; Cheng, S.; Cho, Y.; and Shiea, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 702(1): 1–15. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{huang_ambient_2011,\n\ttitle = {Ambient ionization mass spectrometry: {A} tutorial},\n\tvolume = {702},\n\tabstract = {Ambient ionization is a set of mass spectrometric ionization techniques performed under ambient conditions that allows the direct analysis of sample surfaces with little or no sample pretreatment. Using combinations of different types of sample introduction systems and ionization methods, several novel techniques have been developed over the last few years with many applications (e.g., food safety screening; detection of pharmaceuticals and drug abuse; monitoring of environmental pollutants; detection of explosives for antiterrorism and forensics; characterization of biological compounds for proteomics and metabolomics; molecular imaging analysis; and monitoring chemical and biochemical reactions). Electrospray ionization and atmospheric pressure chemical ionization are the two main ionization principles most commonly used in ambient ionization mass spectrometry. This tutorial paper provides a review of the publications related to ambient ionization techniques. We describe and compare the underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques.},\n\tnumber = {1},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Huang, Min-Zong and Cheng, Sy-Chi and Cho, Yi-Tzu and Shiea, Jentaie},\n\tyear = {2011},\n\tkeywords = {review; Ambient; Desorption/ionization; Two-step ionization; Electrospray ionization; Atmospheric pressure chemical ionization},\n\tpages = {1--15},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Ambient ionization is a set of mass spectrometric ionization techniques performed under ambient conditions that allows the direct analysis of sample surfaces with little or no sample pretreatment. Using combinations of different types of sample introduction systems and ionization methods, several novel techniques have been developed over the last few years with many applications (e.g., food safety screening; detection of pharmaceuticals and drug abuse; monitoring of environmental pollutants; detection of explosives for antiterrorism and forensics; characterization of biological compounds for proteomics and metabolomics; molecular imaging analysis; and monitoring chemical and biochemical reactions). Electrospray ionization and atmospheric pressure chemical ionization are the two main ionization principles most commonly used in ambient ionization mass spectrometry. This tutorial paper provides a review of the publications related to ambient ionization techniques. We describe and compare the underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques.\n
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\n \n\n \n \n \n \n \n \n Utilizing DART Mass Spectrometry to Pinpoint Halogenated Metabolites from a Marine Invertebrate-Derived Fungus.\n \n \n \n \n\n\n \n Watts, K. R.; Loveridge, S. T.; Tenney, K.; Media, J.; Valeriote, F. A.; and Crews, P.\n\n\n \n\n\n\n The Journal of Organic Chemistry, 76(15): 6201–6208. August 2011.\n \n\n\n\n
\n\n\n\n \n \n \"UtilizingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{watts_utilizing_2011,\n\ttitle = {Utilizing {DART} {Mass} {Spectrometry} to {Pinpoint} {Halogenated} {Metabolites} from a {Marine} {Invertebrate}-{Derived} {Fungus}},\n\tvolume = {76},\n\tissn = {0022-3263, 1520-6904},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/jo2009593},\n\tdoi = {10.1021/jo2009593},\n\tabstract = {Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using direct analysis in real time (DART) mass spectrometry, these compounds were initially detected from hyphae of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogues, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.},\n\tlanguage = {en},\n\tnumber = {15},\n\turldate = {2016-07-19},\n\tjournal = {The Journal of Organic Chemistry},\n\tauthor = {Watts, Katharine R. and Loveridge, Steven T. and Tenney, Karen and Media, Joseph and Valeriote, Frederick A. and Crews, Phillip},\n\tmonth = aug,\n\tyear = {2011},\n\tpages = {6201--6208},\n}\n\n\n\n
\n
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\n Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using direct analysis in real time (DART) mass spectrometry, these compounds were initially detected from hyphae of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogues, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.\n
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\n \n\n \n \n \n \n \n \n Rapid screening for synthetic antidiabetic drug adulteration in herbal dietary supplements using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Zhou, Z.; Zhang, J.; Zhang, W.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analyst, 136(12): 2613–2618. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhou_rapid_2011,\n\ttitle = {Rapid screening for synthetic antidiabetic drug adulteration in herbal dietary supplements using direct analysis in real time mass spectrometry},\n\tvolume = {136},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C0AN01047B},\n\tabstract = {Adulteration of herbal supplements with synthetic drugs is illegal. A rapid and reliable method which utilizes direct analysis in real time mass spectrometry (DART-MS) was developed for the identification of seven synthetic antidiabetic drugs used as adulterants in herbal dietary supplements. The supplement sample was simply extracted with methanol/water by manually shaking several times and directly analyzed using DART-MS. The presence of synthetic drug adulterants was confirmed through the accurate m/z values and MS/MS data obtained via quadruple time of flight mass spectrometry (QTOF MS). Parameters for the DART source were systematically optimized, and the limits of detection (LODs) in herbal supplement matrices were measured. This method was successfully applied to examine five commercial herbal dietary supplements, and two of them proved to be adulterated with metformin without labeling.},\n\tnumber = {12},\n\tjournal = {Analyst},\n\tauthor = {Zhou, Zhigui and Zhang, Jialing and Zhang, Wei and Bai, Yu and Liu, Huwei},\n\tyear = {2011},\n\tpages = {2613--2618},\n}\n\n\n\n
\n
\n\n\n
\n Adulteration of herbal supplements with synthetic drugs is illegal. A rapid and reliable method which utilizes direct analysis in real time mass spectrometry (DART-MS) was developed for the identification of seven synthetic antidiabetic drugs used as adulterants in herbal dietary supplements. The supplement sample was simply extracted with methanol/water by manually shaking several times and directly analyzed using DART-MS. The presence of synthetic drug adulterants was confirmed through the accurate m/z values and MS/MS data obtained via quadruple time of flight mass spectrometry (QTOF MS). Parameters for the DART source were systematically optimized, and the limits of detection (LODs) in herbal supplement matrices were measured. This method was successfully applied to examine five commercial herbal dietary supplements, and two of them proved to be adulterated with metformin without labeling.\n
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\n \n\n \n \n \n \n \n \n Precursors and Formation of Pyrithione and Other Pyridyl-Containing Sulfur Compounds in Drumstick Onion, Allium stipitatum.\n \n \n \n \n\n\n \n Kubec, R.; Krejčová, P.; Šimek, P.; Václavík, L.; Hajšlová, J.; and Schraml, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(10): 5763–5770. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PrecursorsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kubec_precursors_2011,\n\ttitle = {Precursors and {Formation} of {Pyrithione} and {Other} {Pyridyl}-{Containing} {Sulfur} {Compounds} in {Drumstick} {Onion}, {Allium} stipitatum},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf200704n},\n\tdoi = {10.1021/jf200704n},\n\tabstract = {Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.\nTwo novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.},\n\tnumber = {10},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Kubec, Roman and Krejčová, Petra and Šimek, Petr and Václavík, Lukáš and Hajšlová, Jana and Schraml, Jan},\n\tyear = {2011},\n\tkeywords = {Allium stipitatum; S-(2-pyridyl)cysteine N-oxide; marasmin; sulfenic acid; DART-MS; pyrithione; AccuTOF},\n\tpages = {5763--5770},\n}\n\n\n\n
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\n Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product. Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.\n
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\n \n\n \n \n \n \n \n \n Versatile Method for the Detection of Covalently Bound Substrates on Solid Supports by DART Mass Spectrometry.\n \n \n \n \n\n\n \n Sanchez, L. M.; Curtis, M. E.; Bracamonte, B. E.; Kurita, K. L.; Navarro, G.; Sparkman, O. D.; and Linington, R. G.\n\n\n \n\n\n\n Organic Letters, 13(15): 3770–3773. June 2011.\n \n\n\n\n
\n\n\n\n \n \n \"VersatilePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sanchez_versatile_2011,\n\ttitle = {Versatile {Method} for the {Detection} of {Covalently} {Bound} {Substrates} on {Solid} {Supports} by {DART} {Mass} {Spectrometry}},\n\tvolume = {13},\n\tissn = {1523-7060},\n\turl = {http://dx.doi.org/10.1021/ol201404v},\n\tdoi = {10.1021/ol201404v},\n\tabstract = {Analysis of substrates directly on solid phase resins without the need for separate cleavage conditions remains an outstanding challenge in the field of solid phase synthesis. We now present the first example of simultaneous cleavage and mass spectrometric analysis of peptides from solid supports using direct analysis in real time (DART) mass spectrometry. We have shown that this method is compatible with a diverse array of solid phase resins and is suitable for analysis of both peptides and organic substrates.},\n\tnumber = {15},\n\turldate = {2013-06-05},\n\tjournal = {Organic Letters},\n\tauthor = {Sanchez, Laura M. and Curtis, Matthew E. and Bracamonte, Bianca E. and Kurita, Kenji L. and Navarro, Gabriel and Sparkman, O. David and Linington, Roger G.},\n\tmonth = jun,\n\tyear = {2011},\n\tpages = {3770--3773},\n}\n\n\n\n
\n
\n\n\n
\n Analysis of substrates directly on solid phase resins without the need for separate cleavage conditions remains an outstanding challenge in the field of solid phase synthesis. We now present the first example of simultaneous cleavage and mass spectrometric analysis of peptides from solid supports using direct analysis in real time (DART) mass spectrometry. We have shown that this method is compatible with a diverse array of solid phase resins and is suitable for analysis of both peptides and organic substrates.\n
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\n \n\n \n \n \n \n \n \n Microwave-Assisted Solution-Phase Synthesis and DART-Mass Spectrometric Monitoring of a Combinatorial Library of Indolin-2,3-dione Schiff Bases with Potential Antimycobacterial Activity.\n \n \n \n \n\n\n \n Aboul-Fadl, T.; Abdel-Aziz, H. A; Kadi, A.; Ahmad, P.; Elsaman, T.; Attwa, M. W; and Darwish, I. A\n\n\n \n\n\n\n Molecules, 16(6): 5194–5206. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"Microwave-AssistedPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{aboul-fadl_microwave-assisted_2011,\n\ttitle = {Microwave-{Assisted} {Solution}-{Phase} {Synthesis} and {DART}-{Mass} {Spectrometric} {Monitoring} of a {Combinatorial} {Library} of {Indolin}-2,3-dione {Schiff} {Bases} with {Potential} {Antimycobacterial} {Activity}},\n\tvolume = {16},\n\turl = {http://www.mdpi.com/1420-3049/16/6/5194/},\n\tabstract = {A combinatorial library composed of eleven hydrazides A-K and eleven indolin-1,2-dione derivatives 1-11 has been designed to formally generate sublibraries of 22 mixtures, M1-M22 comprising of 121 Schiff bases, A-K(1-11). The designed library has been synthesized by the solution-phase method and microwave-assisted synthetic techniques. The formation of individual compounds of each mixture was confirmed by Direct Analysis in Real Time (DART) as ionization technique connected to an Ion Trap as a mass detector. The synthesized mixtures were evaluated for their antimycobacterial activity against four Mycobacterium strains; M. intercellulari, M. xenopi, M. cheleneoi and M. smegmatis. Variable antimycobacterial activity was revealed with the investigated mixtures and maximum activity was shown by M8, M10, M11, and M15 with MIC values of 1.5, 3.1, 6.2 and 0.09 μg/mL, respectively. Application of the indexed method of analysis on these active mixtures revealed that compounds D8, D10 and D11 may contribute to the activity of the tested mixtures.},\n\tnumber = {6},\n\tjournal = {Molecules},\n\tauthor = {Aboul-Fadl, Tarek and Abdel-Aziz, Hatem A and Kadi, Adnan and Ahmad, Pervez and Elsaman, Tilal and Attwa, Mohamed W and Darwish, Ibrahim A},\n\tyear = {2011},\n\tpages = {5194--5206},\n}\n\n\n\n
\n
\n\n\n
\n A combinatorial library composed of eleven hydrazides A-K and eleven indolin-1,2-dione derivatives 1-11 has been designed to formally generate sublibraries of 22 mixtures, M1-M22 comprising of 121 Schiff bases, A-K(1-11). The designed library has been synthesized by the solution-phase method and microwave-assisted synthetic techniques. The formation of individual compounds of each mixture was confirmed by Direct Analysis in Real Time (DART) as ionization technique connected to an Ion Trap as a mass detector. The synthesized mixtures were evaluated for their antimycobacterial activity against four Mycobacterium strains; M. intercellulari, M. xenopi, M. cheleneoi and M. smegmatis. Variable antimycobacterial activity was revealed with the investigated mixtures and maximum activity was shown by M8, M10, M11, and M15 with MIC values of 1.5, 3.1, 6.2 and 0.09 μg/mL, respectively. Application of the indexed method of analysis on these active mixtures revealed that compounds D8, D10 and D11 may contribute to the activity of the tested mixtures.\n
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\n \n\n \n \n \n \n \n \n Allium Discoloration: The Precursor and Formation of the Red Pigment in Giant Onion (Allium giganteum Regel) and Some Other Subgenus Melanocrommyum Species.\n \n \n \n \n\n\n \n Kučerová, P.; Kubec, R.; Šimek, P.; Václavík, L.; and Schraml, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(5): 1821–1828. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AlliumPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kucerova_allium_2011,\n\ttitle = {Allium {Discoloration}: {The} {Precursor} and {Formation} of the {Red} {Pigment} in {Giant} {Onion} ({Allium} giganteum {Regel}) and {Some} {Other} {Subgenus} {Melanocrommyum} {Species}},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf104195k},\n\tdoi = {10.1021/jf104195k},\n\tabstract = {The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).\nThe precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).},\n\tnumber = {5},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Kučerová, Petra and Kubec, Roman and Šimek, Petr and Václavík, Lukáš and Schraml, Jan},\n\tyear = {2011},\n\tkeywords = {S-(2-pyrrolyl)cysteine S-oxide; S-(3-pyrrolyl)cysteine S-oxide; giant onion; Allium giganteum; Melanocrommyum; discoloration; thiosulfinate; pigment; LC−NMR; DART-MS; sulfenic acid; non-protein amino acid; AccuTOF},\n\tpages = {1821--1828},\n}\n\n\n\n
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\n The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa). The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry and its applications in chemical analysis.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Morlock, G. E.; and Revelsky, I. A.\n\n\n \n\n\n\n Russian Chemical Reviews, 80(3): 235. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_dart_2011,\n\ttitle = {{DART} mass spectrometry and its applications in chemical analysis},\n\tvolume = {80},\n\turl = {http://stacks.iop.org/0036-021X/80/i=3/a=R03},\n\tabstract = {Published data on the fundamental and applied aspects of DART mass spectrometry are surveyed. The DART ionization principles and the key parameters affecting the analytical characteristics of the method and the mass spectra of the determined compounds are considered. The advantages and drawbacks of DART mass spectrometry are discussed and the existing and prospective applications are outlined.},\n\tnumber = {3},\n\tjournal = {Russian Chemical Reviews},\n\tauthor = {Chernetsova, Elena S. and Morlock, G. E. and Revelsky, Igor A.},\n\tyear = {2011},\n\tkeywords = {review},\n\tpages = {235},\n}\n\n\n\n
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\n Published data on the fundamental and applied aspects of DART mass spectrometry are surveyed. The DART ionization principles and the key parameters affecting the analytical characteristics of the method and the mass spectra of the determined compounds are considered. The advantages and drawbacks of DART mass spectrometry are discussed and the existing and prospective applications are outlined.\n
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\n \n\n \n \n \n \n \n \n Identification and semi-quantitative analysis of parabens and UV filters in cosmetic products by direct-analysis-in-real-time mass spectrometry and gas chromatography with mass spectrometric detection.\n \n \n \n \n\n\n \n Haunschmidt, M.; Buchberger, W.; Klampfl, C. W.; and Hertsens, R.\n\n\n \n\n\n\n Anal. Methods, 3(1): 99–104. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_identification_2011,\n\ttitle = {Identification and semi-quantitative analysis of parabens and {UV} filters in cosmetic products by direct-analysis-in-real-time mass spectrometry and gas chromatography with mass spectrometric detection},\n\tvolume = {3},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C0AY00588F},\n\tabstract = {A method based on direct-analysis-in-real-time mass spectrometry (DART-MS) for the qualitative and semi-quantitative analysis of eight organic UV filters and four parabens in twelve cosmetic products with substantially different formulations (as cream, milk, lotion, oil, lipstick) was developed. All tested substances could be identified unambiguously in the investigated samples without any sample pre-treatment. Direct analysis of cosmetic products allows semi-quantitative determination of parabens. For UV filters no satisfactory results were obtained by direct analysis but all analytes could be quantified by simply dissolving the samples in methanol, addition of an internal standard and subsequent measurement of the solution by DART-MS without further pre-treatment. The results obtained using DART-MS were confirmed by a more established method namely gas chromatography with mass spectrometric detection (GC-MS).},\n\tnumber = {1},\n\tjournal = {Anal. Methods},\n\tauthor = {Haunschmidt, Manuela and Buchberger, Wolfgang and Klampfl, Christian W. and Hertsens, Robert},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {99--104},\n}\n\n\n\n
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\n A method based on direct-analysis-in-real-time mass spectrometry (DART-MS) for the qualitative and semi-quantitative analysis of eight organic UV filters and four parabens in twelve cosmetic products with substantially different formulations (as cream, milk, lotion, oil, lipstick) was developed. All tested substances could be identified unambiguously in the investigated samples without any sample pre-treatment. Direct analysis of cosmetic products allows semi-quantitative determination of parabens. For UV filters no satisfactory results were obtained by direct analysis but all analytes could be quantified by simply dissolving the samples in methanol, addition of an internal standard and subsequent measurement of the solution by DART-MS without further pre-treatment. The results obtained using DART-MS were confirmed by a more established method namely gas chromatography with mass spectrometric detection (GC-MS).\n
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\n \n\n \n \n \n \n \n \n A rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by direct analysis in real-time mass spectrometry.\n \n \n \n \n\n\n \n Kim, S. W.; Kim, H. J.; Kim, J. H.; Kwon, Y. K.; Ahn, M. S.; Jang, Y. P.; and Liu, J. R\n\n\n \n\n\n\n Plant Methods, 7(1): 1–10. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_rapid_2011,\n\ttitle = {A rapid, simple method for the genetic discrimination of intact {Arabidopsis} thaliana mutant seeds using metabolic profiling by direct analysis in real-time mass spectrometry},\n\tvolume = {7},\n\tissn = {1746-4811},\n\turl = {http://www.plantmethods.com/content/7/1/14},\n\tdoi = {10.1186/1746-4811-7-14},\n\tabstract = {Background  \nEfficient high throughput screening systems of useful mutants are prerequisite for study of plant functional genomics and lots of application fields. Advance in such screening tools, thanks to the development of analytic instruments. Direct analysis in real-time (DART)-mass spectrometry (MS) by ionization of complex materials at atmospheric pressure is a rapid, simple, high-resolution analytical technique. Here we describe a rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by DART-MS.\n\nResults  \nTo determine whether this DART-MS combined by multivariate analysis can perform genetic discrimination based on global metabolic profiling, intact Arabidopsis thaliana mutant seeds were subjected to DART-MS without any sample preparation. Partial least squares-discriminant analysis (PLS-DA) of DART-MS spectral data from intact seeds classified 14 different lines of seeds into two distinct groups: Columbia (Col-0) and Landsberg erecta (Ler) ecotype backgrounds. A hierarchical dendrogram based on partial least squares-discriminant analysis (PLS-DA) subdivided the Col-0 ecotype into two groups: mutant lines harboring defects in the phenylpropanoid biosynthetic pathway and mutants without these defects. These results indicated that metabolic profiling with DART-MS could discriminate intact Arabidopsis seeds at least ecotype level and metabolic pathway level within same ecotype.\n\nConclusion  \nThe described DART-MS combined by multivariate analysis allows for rapid screening and metabolic characterization of lots of Arabidopsis mutant seeds without complex metabolic preparation steps. Moreover, potential novel metabolic markers can be detected and used to clarify the genetic relationship between Arabidopsis cultivars. Furthermore this technique can be applied to predict the novel gene function of metabolic mutants regardless of morphological phenotypes.},\n\tnumber = {1},\n\tjournal = {Plant Methods},\n\tauthor = {Kim, Suk Weon and Kim, Hye Jin and Kim, Jong Hyun and Kwon, Yong Kook and Ahn, Myung Suk and Jang, Young Pyo and Liu, Jang R},\n\tyear = {2011},\n\tkeywords = {Arabidopsis thaliana; Direct analysis in real-time mass spectrometry (DART-MS); partial least squares-discriminant analysis (PLS-DA); seed; AccuTOF},\n\tpages = {1--10},\n}\n\n\n\n
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\n\n\n
\n Background Efficient high throughput screening systems of useful mutants are prerequisite for study of plant functional genomics and lots of application fields. Advance in such screening tools, thanks to the development of analytic instruments. Direct analysis in real-time (DART)-mass spectrometry (MS) by ionization of complex materials at atmospheric pressure is a rapid, simple, high-resolution analytical technique. Here we describe a rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by DART-MS. Results To determine whether this DART-MS combined by multivariate analysis can perform genetic discrimination based on global metabolic profiling, intact Arabidopsis thaliana mutant seeds were subjected to DART-MS without any sample preparation. Partial least squares-discriminant analysis (PLS-DA) of DART-MS spectral data from intact seeds classified 14 different lines of seeds into two distinct groups: Columbia (Col-0) and Landsberg erecta (Ler) ecotype backgrounds. A hierarchical dendrogram based on partial least squares-discriminant analysis (PLS-DA) subdivided the Col-0 ecotype into two groups: mutant lines harboring defects in the phenylpropanoid biosynthetic pathway and mutants without these defects. These results indicated that metabolic profiling with DART-MS could discriminate intact Arabidopsis seeds at least ecotype level and metabolic pathway level within same ecotype. Conclusion The described DART-MS combined by multivariate analysis allows for rapid screening and metabolic characterization of lots of Arabidopsis mutant seeds without complex metabolic preparation steps. Moreover, potential novel metabolic markers can be detected and used to clarify the genetic relationship between Arabidopsis cultivars. Furthermore this technique can be applied to predict the novel gene function of metabolic mutants regardless of morphological phenotypes.\n
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\n \n\n \n \n \n \n \n \n Rapid identification and absence of drug tests for AG-013736 in 1 mg Axitinib tablets by ion mobility spectrometry and DART™ mass spectrometry.\n \n \n \n \n\n\n \n Likar, M. D.; Cheng, G.; Mahajan, N.; and Zhang, Z.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 55(3): 569–573. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{likar_rapid_2011,\n\ttitle = {Rapid identification and absence of drug tests for {AG}-013736 in 1 mg {Axitinib} tablets by ion mobility spectrometry and {DART}™ mass spectrometry},\n\tvolume = {55},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708511001099},\n\tdoi = {10.1016/j.jpba.2011.02.021},\n\tabstract = {Axitinib (AG-013736) is a potent investigational drug that has antitumor activity in patients with metastatic renal cell carcinoma and other types of cancers. In this study, ion mobility spectrometry and “direct analysis in real time” (DART™) mass spectrometry were used to rapidly identify AG-013736 in drug substance samples and 1\\&\\#xa0;mg Axitinib tablets. The plasmagrams of the sample solutions exhibited a major peak with a reduced ion mobility that was within ±0.0002\\&\\#xa0;cm2\\&\\#xa0;V−1\\&\\#xa0;s−1 of that for AG-013736 in an external reference standard solution. The DART ionization source was coupled with both a time-of-flight mass spectrometer and a lower-resolution ion trap mass spectrometer. Samples were analyzed by this technique in as little as 5\\&\\#xa0;s with minimal to no sample preparation required. The isotopic masses of the protonated dimer ions of AG-013736 were used to identify AG-013736 in the active tablet. Both techniques were also used to develop low-level limit tests for rapidly verifying the presence or absence of AG-013736 in blinded clinical supplies of active and matching placebo tablets of Axitinib.},\n\tnumber = {3},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Likar, Michael D. and Cheng, Guilong and Mahajan, Nidhi and Zhang, Zhongli},\n\tyear = {2011},\n\tkeywords = {Axitinib, Direct analysis in real time, Ion mobility spectrometry, Ion mobility spectrometry; Direct analysis in real time; Mass spectrometry; Axitinib; AccuTOF, mass spectrometry},\n\tpages = {569--573},\n}\n\n\n\n
\n
\n\n\n
\n Axitinib (AG-013736) is a potent investigational drug that has antitumor activity in patients with metastatic renal cell carcinoma and other types of cancers. In this study, ion mobility spectrometry and “direct analysis in real time” (DART™) mass spectrometry were used to rapidly identify AG-013736 in drug substance samples and 1 mg Axitinib tablets. The plasmagrams of the sample solutions exhibited a major peak with a reduced ion mobility that was within ±0.0002 cm2 V−1 s−1 of that for AG-013736 in an external reference standard solution. The DART ionization source was coupled with both a time-of-flight mass spectrometer and a lower-resolution ion trap mass spectrometer. Samples were analyzed by this technique in as little as 5 s with minimal to no sample preparation required. The isotopic masses of the protonated dimer ions of AG-013736 were used to identify AG-013736 in the active tablet. Both techniques were also used to develop low-level limit tests for rapidly verifying the presence or absence of AG-013736 in blinded clinical supplies of active and matching placebo tablets of Axitinib.\n
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\n \n\n \n \n \n \n \n \n New approach to detecting counterfeit drugs in tablets by DART mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E.; Bochkov, P.; Zatonskii, G.; and Abramovich, R.\n\n\n \n\n\n\n Pharmaceutical Chemistry Journal, 45(5): 306–308. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"NewPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_new_2011,\n\ttitle = {New approach to detecting counterfeit drugs in tablets by {DART} mass spectrometry},\n\tvolume = {45},\n\tissn = {0091-150X},\n\turl = {http://dx.doi.org/10.1007/s11094-011-0622-y},\n\tabstract = {The possibility of using DART mass spectrometry for the identification of active ingredients in tableted drugs has been studied. Analytical results for some drugs such as glycin, nootropyl, anaprilin, mexidol, and biseptol are presented. The benefits and limitations of DART mass spectrometry as applied to fast screening of tableted pharmaceuticals for detecting counterfeits are discussed.},\n\tnumber = {5},\n\tjournal = {Pharmaceutical Chemistry Journal},\n\tauthor = {Chernetsova, E. and Bochkov, P. and Zatonskii, G. and Abramovich, R.},\n\tyear = {2011},\n\tpages = {306--308},\n}\n\n\n\n
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\n The possibility of using DART mass spectrometry for the identification of active ingredients in tableted drugs has been studied. Analytical results for some drugs such as glycin, nootropyl, anaprilin, mexidol, and biseptol are presented. The benefits and limitations of DART mass spectrometry as applied to fast screening of tableted pharmaceuticals for detecting counterfeits are discussed.\n
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\n \n\n \n \n \n \n \n \n Authentication of Animal Fats Using Direct Analysis in Real Time (DART) Ionization−Mass Spectrometry and Chemometric Tools.\n \n \n \n \n\n\n \n Vaclavik, L.; Hrbek, V.; Cajka, T.; Rohlik, B.; Pipek, P.; and Hajslova, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(11): 5919–5926. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AuthenticationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{vaclavik_authentication_2011,\n\ttitle = {Authentication of {Animal} {Fats} {Using} {Direct} {Analysis} in {Real} {Time} ({DART}) {Ionization}−{Mass} {Spectrometry} and {Chemometric} {Tools}},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf200734x},\n\tdoi = {10.1021/jf200734x},\n\tabstract = {A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10\\% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10\\% pork added to beef and vice versa was possible.\nA combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10\\% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10\\% pork added to beef and vice versa was possible.},\n\tnumber = {11},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Vaclavik, Lukas and Hrbek, Vojtech and Cajka, Tomas and Rohlik, Bo-Anne and Pipek, Petr and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {animal fat; meat; adulteration; direct analysis in real time; mass spectrometry; multivariate analysis; AccuTOF},\n\tpages = {5919--5926},\n}\n\n\n\n\n\n\n\n
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\n A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10% pork added to beef and vice versa was possible. A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10% pork added to beef and vice versa was possible.\n
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\n \n\n \n \n \n \n \n \n High-performance liquid chromatography coupled to direct analysis in real time mass spectrometry: Investigations on gradient elution and influence of complex matrices on signal intensities.\n \n \n \n \n\n\n \n Beißmann, S.; Buchberger, W.; Hertsens, R.; and Klampfl, C. W.\n\n\n \n\n\n\n Journal of Chromatography A, 1218(31): 5180–5186. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"High-performancePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
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@article{beismann_high-performance_2011,\n\ttitle = {High-performance liquid chromatography coupled to direct analysis in real time mass spectrometry: {Investigations} on gradient elution and influence of complex matrices on signal intensities},\n\tvolume = {1218},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967311007692},\n\tdoi = {10.1016/j.chroma.2011.05.092},\n\tnumber = {31},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Beißmann, Susanne and Buchberger, Wolfgang and Hertsens, Robert and Klampfl, Christian W.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time, HPLC, Hyphenated methods},\n\tpages = {5180--5186},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Utilizing DART Mass Spectrometry to Pinpoint Halogenated Metabolites from a Marine Invertebrate-Derived Fungus.\n \n \n \n\n\n \n Watts, K. R.; Loveridge, S. T.; Tenney, K.; Media, J.; Valeriote, F. A.; and Crews, P.\n\n\n \n\n\n\n Journal of Organic Chemistry, 76(15): 6201–6208. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{watts_utilizing_2011,\n\ttitle = {Utilizing {DART} {Mass} {Spectrometry} to {Pinpoint} {Halogenated} {Metabolites} from a {Marine} {Invertebrate}-{Derived} {Fungus}},\n\tvolume = {76},\n\tabstract = {Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using Direct Analysis in\nReal Time (DART) Mass Spectrometry, these compounds were initially detected from spores of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogs, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.},\n\tnumber = {15},\n\tjournal = {Journal of Organic Chemistry},\n\tauthor = {Watts, Katharine R. and Loveridge, Steven T. and Tenney, Karen and Media, Joseph and Valeriote, Frederick A. and Crews, Phillip},\n\tyear = {2011},\n\tpages = {6201--6208},\n}\n\n\n\n
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\n Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using Direct Analysis in Real Time (DART) Mass Spectrometry, these compounds were initially detected from spores of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogs, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.\n
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\n \n\n \n \n \n \n \n \n Qualitative Analysis of Tackifier Resins in Pressure Sensitive Adhesives Using Direct Analysis in Real Time Time-of-Flight Mass Spectrometry.\n \n \n \n \n\n\n \n Mess, A.; Vietzke, J.; Rapp, C.; and Francke, W.\n\n\n \n\n\n\n Anal. Chem., 83(19): 7323–7330. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"QualitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{mess_qualitative_2011,\n\ttitle = {Qualitative {Analysis} of {Tackifier} {Resins} in {Pressure} {Sensitive} {Adhesives} {Using} {Direct} {Analysis} in {Real} {Time} {Time}-of-{Flight} {Mass} {Spectrometry}},\n\tvolume = {83},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac2011608},\n\tdoi = {10.1021/ac2011608},\n\tabstract = {Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1\\% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.\nTackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1\\% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.},\n\tnumber = {19},\n\tjournal = {Anal. Chem.},\n\tauthor = {Mess, Aylin and Vietzke, Jens-Peter and Rapp, Claudius and Francke, Wittko},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {7323--7330},\n}\n\n\n\n
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\n Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs. Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.\n
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\n \n\n \n \n \n \n \n \n Evaluation of direct analysis in real time mass spectrometry for onsite monitoring of batch slurry reactions.\n \n \n \n \n\n\n \n Cho, D. S.; Gibson, S. C.; Bhandari, D.; McNally, M. E.; Hoffman, R. M.; Cook, K. D.; and Song, L.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(23): 3575–3580. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cho_evaluation_2011,\n\ttitle = {Evaluation of direct analysis in real time mass spectrometry for onsite monitoring of batch slurry reactions},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5269},\n\tdoi = {10.1002/rcm.5269},\n\tabstract = {Batch slurry reactions are widely used in the industrial manufacturing of chemicals, pharmaceuticals, petrochemicals and polymers. However, onsite monitoring of batch slurry reactions is still not feasible in production plants due to the challenge in analyzing heterogeneous samples without complicated sample preparation procedures. In this study, direct analysis in real time mass spectrometry (DART-MS) has been evaluated for the onsite monitoring of a model batch slurry reaction. The results suggested that automation of the sampling process of DART-MS is important to achieve quantitative results. With a sampling technique of manual sample deposition on melting point capillaries followed by automatic sample introduction across the helium beam, relative standard deviation (RSD) of the protonated molecule signals from the reaction product of the model batch slurry reaction ranged from 6 to 30\\%. This RSD range is improved greatly over a sampling technique of manual sample deposition followed by manual sample introduction where the RSDs are up to 110\\%. Furthermore, with the semi-automated sampling approach, semi-quantitative analysis of slurry samples has been achieved. Better quantification is expected with a fully automated sampling approach. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {23},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Cho, David S. and Gibson, Stephen C. and Bhandari, Deepak and McNally, Mary Ellen and Hoffman, Ron M. and Cook, Kelsey D. and Song, Liguo},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {3575--3580},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Batch slurry reactions are widely used in the industrial manufacturing of chemicals, pharmaceuticals, petrochemicals and polymers. However, onsite monitoring of batch slurry reactions is still not feasible in production plants due to the challenge in analyzing heterogeneous samples without complicated sample preparation procedures. In this study, direct analysis in real time mass spectrometry (DART-MS) has been evaluated for the onsite monitoring of a model batch slurry reaction. The results suggested that automation of the sampling process of DART-MS is important to achieve quantitative results. With a sampling technique of manual sample deposition on melting point capillaries followed by automatic sample introduction across the helium beam, relative standard deviation (RSD) of the protonated molecule signals from the reaction product of the model batch slurry reaction ranged from 6 to 30%. This RSD range is improved greatly over a sampling technique of manual sample deposition followed by manual sample introduction where the RSDs are up to 110%. Furthermore, with the semi-automated sampling approach, semi-quantitative analysis of slurry samples has been achieved. Better quantification is expected with a fully automated sampling approach. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Detection of illicit drugs on surfaces using direct analysis in real time (DART) time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Grange, A. H.; and Sovocool, G. W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(9): 1271–1281. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{grange_detection_2011,\n\ttitle = {Detection of illicit drugs on surfaces using direct analysis in real time ({DART}) time-of-flight mass spectrometry},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5009},\n\tdoi = {10.1002/rcm.5009},\n\tabstract = {Methamphetamine (meth) from meth syntheses or habitual meth smoking deposited on household surfaces poses human health hazards. The U.S. State Departments of Health require decontamination of sites where meth was synthesized (meth labs) before they are sold. National Institute for Occupational Safety and Health (NIOSH) methods for meth analysis require wipe sampling, extraction, clean-up, solvent exchange, derivatization, and/or mass spectral analysis using selected ion monitoring. Rapid and inexpensive analyses could screen for drug-contamination within structures with greater spatial resolution, provide real-time analyses during decontamination, and provide thorough documentation of successful clean ups. Herein an autosampler/open-air ion source time-of-flight mass spectrometric technique is described that required only direct sampling using cotton-swab wipes. Each wipe sample collection required 2 min and data acquisition required only 13 s per sample. Optimum collision-induced dissociation voltages, desorption gas temperatures, and wipe sample solvents were determined for 11 drugs. Peaks were observed in analyte-ion traces for 0.025 µg/100 cm2 of meth and seven other drugs. This level is half the detection limit of NIOSH methods and one-fourth of the lowest U.S. state decontamination limit for meth. Dynamic ranges of 100 in concentration were demonstrated for eight drugs, which is sufficient for a screening technique. The volatilities of 11 drugs deposited on glass were determined. The pick up of the drugs by solvent-soaked cotton-swab wipes from glass relative to acrylic latex paint was also compared. Published in 2011 by John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H. and Sovocool, G. Wayne},\n\tyear = {2011},\n\tpages = {1271--1281},\n}\n\n\n\n
\n
\n\n\n
\n Methamphetamine (meth) from meth syntheses or habitual meth smoking deposited on household surfaces poses human health hazards. The U.S. State Departments of Health require decontamination of sites where meth was synthesized (meth labs) before they are sold. National Institute for Occupational Safety and Health (NIOSH) methods for meth analysis require wipe sampling, extraction, clean-up, solvent exchange, derivatization, and/or mass spectral analysis using selected ion monitoring. Rapid and inexpensive analyses could screen for drug-contamination within structures with greater spatial resolution, provide real-time analyses during decontamination, and provide thorough documentation of successful clean ups. Herein an autosampler/open-air ion source time-of-flight mass spectrometric technique is described that required only direct sampling using cotton-swab wipes. Each wipe sample collection required 2 min and data acquisition required only 13 s per sample. Optimum collision-induced dissociation voltages, desorption gas temperatures, and wipe sample solvents were determined for 11 drugs. Peaks were observed in analyte-ion traces for 0.025 µg/100 cm2 of meth and seven other drugs. This level is half the detection limit of NIOSH methods and one-fourth of the lowest U.S. state decontamination limit for meth. Dynamic ranges of 100 in concentration were demonstrated for eight drugs, which is sufficient for a screening technique. The volatilities of 11 drugs deposited on glass were determined. The pick up of the drugs by solvent-soaked cotton-swab wipes from glass relative to acrylic latex paint was also compared. Published in 2011 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Principal component directed partial least squares analysis for combining nuclear magnetic resonance and mass spectrometry data in metabolomics: Application to the detection of breast cancer.\n \n \n \n \n\n\n \n Gu, H.; Pan, Z.; Xi, B.; Asiago, V.; Musselman, B.; and Raftery, D.\n\n\n \n\n\n\n Analytica Chimica Acta, 686(1–2): 57–63. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PrincipalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{gu_principal_2011,\n\ttitle = {Principal component directed partial least squares analysis for combining nuclear magnetic resonance and mass spectrometry data in metabolomics: {Application} to the detection of breast cancer},\n\tvolume = {686},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267010014558},\n\tdoi = {10.1016/j.aca.2010.11.040},\n\tabstract = {Nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) are the two most commonly used analytical tools in metabolomics, and their complementary nature makes the combination particularly attractive. A combined analytical approach can improve the potential for providing reliable methods to detect metabolic profile alterations in biofluids or tissues caused by disease, toxicity, etc. In this paper, 1H NMR spectroscopy and direct analysis in real time (DART)-MS were used for the metabolomics analysis of serum samples from breast cancer patients and healthy controls. Principal component analysis (PCA) of the NMR data showed that the first principal component (PC1) scores could be used to separate cancer from normal samples. However, no such obvious clustering could be observed in the PCA score plot of DART-MS data, even though DART-MS can provide a rich and informative metabolic profile. Using a modified multivariate statistical approach, the DART-MS data were then reevaluated by orthogonal signal correction (OSC) pretreated partial least squares (PLS), in which the Y matrix in the regression was set to the PC1 score values from the NMR data analysis. This approach, and a similar one using the first latent variable from PLS-DA of the NMR data resulted in a significant improvement of the separation between the disease samples and normals, and a metabolic profile related to breast cancer could be extracted from DART-MS. The new approach allows the disease classification to be expressed on a continuum as opposed to a binary scale and thus better represents the disease and healthy classifications. An improved metabolic profile obtained by combining MS and NMR by this approach may be useful to achieve more accurate disease detection and gain more insight regarding disease mechanisms and biology.},\n\tnumber = {1–2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Gu, Haiwei and Pan, Zhengzheng and Xi, Bowei and Asiago, Vincent and Musselman, Brian and Raftery, Daniel},\n\tyear = {2011},\n\tkeywords = {Breast cancer, Direct analysis in real time, Human serum, Nuclear magnetic resonance, Orthogonal signal correction, Partial least squares, mass spectrometry, metabolomics},\n\tpages = {57--63},\n}\n\n\n\n
\n
\n\n\n
\n Nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) are the two most commonly used analytical tools in metabolomics, and their complementary nature makes the combination particularly attractive. A combined analytical approach can improve the potential for providing reliable methods to detect metabolic profile alterations in biofluids or tissues caused by disease, toxicity, etc. In this paper, 1H NMR spectroscopy and direct analysis in real time (DART)-MS were used for the metabolomics analysis of serum samples from breast cancer patients and healthy controls. Principal component analysis (PCA) of the NMR data showed that the first principal component (PC1) scores could be used to separate cancer from normal samples. However, no such obvious clustering could be observed in the PCA score plot of DART-MS data, even though DART-MS can provide a rich and informative metabolic profile. Using a modified multivariate statistical approach, the DART-MS data were then reevaluated by orthogonal signal correction (OSC) pretreated partial least squares (PLS), in which the Y matrix in the regression was set to the PC1 score values from the NMR data analysis. This approach, and a similar one using the first latent variable from PLS-DA of the NMR data resulted in a significant improvement of the separation between the disease samples and normals, and a metabolic profile related to breast cancer could be extracted from DART-MS. The new approach allows the disease classification to be expressed on a continuum as opposed to a binary scale and thus better represents the disease and healthy classifications. An improved metabolic profile obtained by combining MS and NMR by this approach may be useful to achieve more accurate disease detection and gain more insight regarding disease mechanisms and biology.\n
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\n \n\n \n \n \n \n \n Comparison of dielectric barrier discharge, atmospheric pressure radiofrequency-driven glow discharge and direct analysis in real time sources for ambient mass spectrometry of acetaminophen.\n \n \n \n\n\n \n Kratzera, J.; Mester, Z.; and Sturgeon, R. E.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 66(8): 594–603. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kratzera_comparison_2011,\n\ttitle = {Comparison of dielectric barrier discharge, atmospheric pressure radiofrequency-driven glow discharge and direct analysis in real time sources for ambient mass spectrometry of acetaminophen},\n\tvolume = {66},\n\tabstract = {Three plasma-based ambient pressure ion sources were investigated; laboratory constructed dielectric barrier and rf glow discharges, as well as a commercial corona discharge (DART source). All were used to desorb and ionize a model analyte, providing sampling techniques for ambient mass spectrometry (MS). Experimental parameters were optimized to achive highest signal for acetaminophen as the analyte. Insight into the mechanisms of analyte desorption and ionization was obtained by means of emission spectrometry and ion current measurements. Desorption and ionization mechanisms for this analyte appear to be identical for all three plasma sources. Emission spectra differ only in the intensities of various lines and bands. Desorption of solid analyte requires transfer of thermal energy from the plasma source to sample surface, in the absence of which complete loss of MS response occurs. For acetaminophen, helium was the best plasma gas, providing 100- to 1000-fold higher analyte response than with argon or nitrogen. The same trend was also evident with background ions (protonated water clusters). MS analyte signal intensity correlates with the ion density (expressed as ion current) in the plasma plume and with emission intensity from excited state species in the plasma. These observations support an ionization process which occurs via proton transfer from protonated water clusters to analyte molecules.},\n\tnumber = {8},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {Kratzera, Jan and Mester, Zoltán and Sturgeon, Ralph E.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time (DART); Dielectric barrier discharge (DBD); Atmospheric pressure rf glow discharge (APGD); Ambient mass spectrometry (AMS); Acetaminophen},\n\tpages = {594--603},\n}\n\n\n\n
\n
\n\n\n
\n Three plasma-based ambient pressure ion sources were investigated; laboratory constructed dielectric barrier and rf glow discharges, as well as a commercial corona discharge (DART source). All were used to desorb and ionize a model analyte, providing sampling techniques for ambient mass spectrometry (MS). Experimental parameters were optimized to achive highest signal for acetaminophen as the analyte. Insight into the mechanisms of analyte desorption and ionization was obtained by means of emission spectrometry and ion current measurements. Desorption and ionization mechanisms for this analyte appear to be identical for all three plasma sources. Emission spectra differ only in the intensities of various lines and bands. Desorption of solid analyte requires transfer of thermal energy from the plasma source to sample surface, in the absence of which complete loss of MS response occurs. For acetaminophen, helium was the best plasma gas, providing 100- to 1000-fold higher analyte response than with argon or nitrogen. The same trend was also evident with background ions (protonated water clusters). MS analyte signal intensity correlates with the ion density (expressed as ion current) in the plasma plume and with emission intensity from excited state species in the plasma. These observations support an ionization process which occurs via proton transfer from protonated water clusters to analyte molecules.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Coupled to Multiplexed Drift Tube Ion Mobility Spectrometry for Detecting Toxic Chemicals.\n \n \n \n \n\n\n \n Harris, G. A.; Kwasnik, M.; and Fernández, F. M.\n\n\n \n\n\n\n Anal. Chem., 83(6): 1908–1915. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{harris_direct_2011,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Coupled} to {Multiplexed} {Drift} {Tube} {Ion} {Mobility} {Spectrometry} for {Detecting} {Toxic} {Chemicals}},\n\tvolume = {83},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac102246h},\n\tdoi = {10.1021/ac102246h},\n\tabstract = {Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95\\% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81\\% v/v for DMMP, 1.13\\% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28\\% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.\nCurrent and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95\\% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81\\% v/v for DMMP, 1.13\\% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28\\% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.},\n\tnumber = {6},\n\tjournal = {Anal. Chem.},\n\tauthor = {Harris, Glenn A. and Kwasnik, Mark and Fernández, Facundo M.},\n\tyear = {2011},\n\tpages = {1908--1915},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81% v/v for DMMP, 1.13% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections. Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81% v/v for DMMP, 1.13% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.\n
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\n \n\n \n \n \n \n \n \n Epiafzelechin from the Root Bark of Cassia sieberiana: Detection by DART Mass Spectrometry, Spectroscopic Characterization, and Antioxidant Properties.\n \n \n \n \n\n\n \n Kpegba, K.; Agbonon, A.; Petrovic, A. G.; Amouzou, E.; Gbeassor, M.; Proni, G.; and Nesnas, N.\n\n\n \n\n\n\n Journal of Natural Products, 74(3): 455–459. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"EpiafzelechinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kpegba_epiafzelechin_2011,\n\ttitle = {Epiafzelechin from the {Root} {Bark} of {Cassia} sieberiana: {Detection} by {DART} {Mass} {Spectrometry}, {Spectroscopic} {Characterization}, and {Antioxidant} {Properties}},\n\tvolume = {74},\n\tissn = {0163-3864, 1520-6025},\n\tshorttitle = {Epiafzelechin from the {Root} {Bark} of {Cassia} sieberiana},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/np100090e},\n\tdoi = {10.1021/np100090e},\n\tabstract = {The root bark of Cassia sieberiana was analyzed using direct analysis in real time mass spectrometry, and a main flavonoid component with an [M + H]+ mass of 275 was identified. The flavonoid, epiafzelechin, was isolated and fully characterized with the concerted use of NMR spectroscopy, circular dichroism, and optical rotation. Electronic circular dichroism and optical rotation TDDFT calculations were also performed, and their agreement with the experimental results confirmed the enantiomeric identity of the isolated natural product. The antioxidant activity of the compound was also investigated.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Journal of Natural Products},\n\tauthor = {Kpegba, Kafui and Agbonon, Amegnona and Petrovic, Ana G. and Amouzou, Etchri and Gbeassor, Messanvi and Proni, Gloria and Nesnas, Nasri},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {455--459},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The root bark of Cassia sieberiana was analyzed using direct analysis in real time mass spectrometry, and a main flavonoid component with an [M + H]+ mass of 275 was identified. The flavonoid, epiafzelechin, was isolated and fully characterized with the concerted use of NMR spectroscopy, circular dichroism, and optical rotation. Electronic circular dichroism and optical rotation TDDFT calculations were also performed, and their agreement with the experimental results confirmed the enantiomeric identity of the isolated natural product. The antioxidant activity of the compound was also investigated.\n
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\n \n\n \n \n \n \n \n \n Current mass spectrometry strategies for the analysis of pesticides and their metabolites in food and water matrices.\n \n \n \n \n\n\n \n Botitsi, H. V.; Garbis, S. D.; Economou, A.; and Tsipi, D. F.\n\n\n \n\n\n\n Mass Spectrometry Reviews, 30(5): 907–939. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"CurrentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{botitsi_current_2011,\n\ttitle = {Current mass spectrometry strategies for the analysis of pesticides and their metabolites in food and water matrices},\n\tvolume = {30},\n\tissn = {1098-2787},\n\turl = {http://dx.doi.org/10.1002/mas.20307},\n\tdoi = {10.1002/mas.20307},\n\tabstract = {Analysis of pesticides and their metabolites in food and water matrices continues to be an active research area closely related to food safety and environmental issues. This review discusses the most widely applied mass spectrometric (MS) approaches to pesticide residues analysis over the last few years. The main techniques for sample preparation remain solvent extraction and solid-phase extraction. The QuEChERS (Quick, Easy, Cheap, Effective, Rugged, Safe) approach is being increasingly used for the development of multi-class pesticide residues methods in various sample matrices. MS detectors—triple quadrupole (QqQ), ion-trap (IT), quadrupole linear ion trap (QqLIT), time-of-flight (TOF), and quadrupole time-of-flight (QqTOF)—have been established as powerful analytical tools sharing a primary role in the detection/quantification and/or identification/confirmation of pesticides and their metabolites. Recent developments in analytical instrumentation have enabled coupling of ultra-performance liquid chromatography (UPLC) and fast gas chromatography (GC) with MS detectors, and faster analysis for a greater number of pesticides. The newly developed “ambient-ionization” MS techniques (e.g., desorption electrospray ionization, DESI, and direct analysis in real time, DART) hyphenated with high-resolution MS platforms without liquid chromatography separation, and sometimes with minimum pre-treatment, have shown potential for pesticide residue screening. The recently introduced Orbitrap mass spectrometers can provide high resolving power and mass accuracy, to tackle complex analytical problems involved in pesticide residue analysis. © 2010 Wiley Periodicals, Inc., Mass Spec Rev 30:907–939, 2011},\n\tnumber = {5},\n\tjournal = {Mass Spectrometry Reviews},\n\tauthor = {Botitsi, Helen V. and Garbis, Spiros D. and Economou, Anastasios and Tsipi, Despina F.},\n\tyear = {2011},\n\tkeywords = {food and water, liquid and gas chromatography, mass spectrometry, pesticides},\n\tpages = {907--939},\n}\n\n\n\n
\n
\n\n\n
\n Analysis of pesticides and their metabolites in food and water matrices continues to be an active research area closely related to food safety and environmental issues. This review discusses the most widely applied mass spectrometric (MS) approaches to pesticide residues analysis over the last few years. The main techniques for sample preparation remain solvent extraction and solid-phase extraction. The QuEChERS (Quick, Easy, Cheap, Effective, Rugged, Safe) approach is being increasingly used for the development of multi-class pesticide residues methods in various sample matrices. MS detectors—triple quadrupole (QqQ), ion-trap (IT), quadrupole linear ion trap (QqLIT), time-of-flight (TOF), and quadrupole time-of-flight (QqTOF)—have been established as powerful analytical tools sharing a primary role in the detection/quantification and/or identification/confirmation of pesticides and their metabolites. Recent developments in analytical instrumentation have enabled coupling of ultra-performance liquid chromatography (UPLC) and fast gas chromatography (GC) with MS detectors, and faster analysis for a greater number of pesticides. The newly developed “ambient-ionization” MS techniques (e.g., desorption electrospray ionization, DESI, and direct analysis in real time, DART) hyphenated with high-resolution MS platforms without liquid chromatography separation, and sometimes with minimum pre-treatment, have shown potential for pesticide residue screening. The recently introduced Orbitrap mass spectrometers can provide high resolving power and mass accuracy, to tackle complex analytical problems involved in pesticide residue analysis. © 2010 Wiley Periodicals, Inc., Mass Spec Rev 30:907–939, 2011\n
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\n \n\n \n \n \n \n \n Structural Elucidation of Direct Analysis in Real Time Ionized Nerve Agent Simulants with Infrared Multiple Photon Dissociation Spectroscopy.\n \n \n \n\n\n \n Rummel, J. L.; Steill, J. D.; Oomens, J.; Contreras, C. S.; Pearson, W. L.; Szczepanski, J.; Powell, D. H.; and Eyler, J. R.\n\n\n \n\n\n\n Analytical Chemistry, 83(11): 4045–4052. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
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@article{rummel_structural_2011,\n\ttitle = {Structural {Elucidation} of {Direct} {Analysis} in {Real} {Time} {Ionized} {Nerve} {Agent} {Simulants} with {Infrared} {Multiple} {Photon} {Dissociation} {Spectroscopy}},\n\tvolume = {83},\n\tdoi = {10.1021/ac102973a},\n\tabstract = {Infrared multiple photon dissociation (IRMPD) was used to generate vibrational spectra of ions produced with a direct analysis in real time (DART) ionization source coupled to a 4.7 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The location of protonation on the nerve agent simulants diisopropyl methylphosphonate (DIMP) and dimethyl methylphosphonate (DMMP) was studied while solutions of the compounds were introduced for extended periods of time with a syringe pump. Theoretical vibrational spectra were generated with density functional theory calculations. Visual comparison of experimental mid-IR IRMPD spectra and theoretical spectra could not establish definitively if a single structure or a mixture of conformations was present for the protonated parent of each compound. However, theoretical calculations, near-ir IRMPD spectra, and frequency-to-frequency and statistical comparisons indicated that the protonation site for both DIMP and DMMP was predominantly, if not exclusively, the phosphonyl oxygen instead of one of the oxygen atoms with only single bonds.},\n\tnumber = {11},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Rummel, Julia L. and Steill, Jeffrey D. and Oomens, Jos and Contreras, Cesar S. and Pearson, Wright L. and Szczepanski, Jan and Powell, David H. and Eyler, John R.},\n\tyear = {2011},\n\tkeywords = {DART, FT-ICR, nerve agents},\n\tpages = {4045--4052},\n}\n\n\n\n
\n
\n\n\n
\n Infrared multiple photon dissociation (IRMPD) was used to generate vibrational spectra of ions produced with a direct analysis in real time (DART) ionization source coupled to a 4.7 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The location of protonation on the nerve agent simulants diisopropyl methylphosphonate (DIMP) and dimethyl methylphosphonate (DMMP) was studied while solutions of the compounds were introduced for extended periods of time with a syringe pump. Theoretical vibrational spectra were generated with density functional theory calculations. Visual comparison of experimental mid-IR IRMPD spectra and theoretical spectra could not establish definitively if a single structure or a mixture of conformations was present for the protonated parent of each compound. However, theoretical calculations, near-ir IRMPD spectra, and frequency-to-frequency and statistical comparisons indicated that the protonation site for both DIMP and DMMP was predominantly, if not exclusively, the phosphonyl oxygen instead of one of the oxygen atoms with only single bonds.\n
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\n \n\n \n \n \n \n \n \n Fast identification of phthalic acid esters in poly(vinyl chloride) samples by Direct Analysis In Real Time (DART) tandem mass spectrometry.\n \n \n \n \n\n\n \n Kuki, Á.; Nagy, L.; Zsuga, M.; and Kéki, S.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 303(2–3): 225–228. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"FastPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kuki_fast_2011,\n\ttitle = {Fast identification of phthalic acid esters in poly(vinyl chloride) samples by {Direct} {Analysis} {In} {Real} {Time} ({DART}) tandem mass spectrometry},\n\tvolume = {303},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380611000698},\n\tdoi = {10.1016/j.ijms.2011.02.011},\n\tabstract = {It was found that the collision energy/voltage necessary to obtain 50\\% fragmentation (CV50) was linearly dependent on the molecular weight of phthalic acid esters (PAEs). Based on this observation a fast screening technique for the detection of PAEs in poly vinyl chloride (PVC) samples was developed using Direct Analysis in Real Time (DART) ionization tandem mass spectrometry. Based on this observation an automated data acquisition method, including mass-dependent tuning of the collision energy/voltage in DART-MS/MS, was developed thereby reducing the analysis time.},\n\tnumber = {2–3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Kuki, Ákos and Nagy, Lajos and Zsuga, Miklós and Kéki, Sándor},\n\tyear = {2011},\n\tkeywords = {Direct Analysis in Real Time ionization (DART), Phthalic acid ester, Poly(vinyl chloride), Tandem mass spectrometry (MS/MS)},\n\tpages = {225--228},\n}\n\n\n\n
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\n It was found that the collision energy/voltage necessary to obtain 50% fragmentation (CV50) was linearly dependent on the molecular weight of phthalic acid esters (PAEs). Based on this observation a fast screening technique for the detection of PAEs in poly vinyl chloride (PVC) samples was developed using Direct Analysis in Real Time (DART) ionization tandem mass spectrometry. Based on this observation an automated data acquisition method, including mass-dependent tuning of the collision energy/voltage in DART-MS/MS, was developed thereby reducing the analysis time.\n
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\n \n\n \n \n \n \n \n \n Simplified and rapid determination of polychlorinated biphenyls, polybrominated diphenyl ethers, and polycyclic aromatic hydrocarbons in fish and shrimps integrated into a single method.\n \n \n \n \n\n\n \n Kalachova, K.; Pulkrabova, J.; Drabova, L.; Cajka, T.; Kocourek, V.; and Hajslova, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 707(1–2): 84–91. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SimplifiedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{kalachova_simplified_2011,\n\ttitle = {Simplified and rapid determination of polychlorinated biphenyls, polybrominated diphenyl ethers, and polycyclic aromatic hydrocarbons in fish and shrimps integrated into a single method},\n\tvolume = {707},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267011012347},\n\tdoi = {10.1016/j.aca.2011.09.016},\n\tabstract = {In this study, a new rapid and flexible method for the simultaneous determination of 18 key representatives of polychlorinated biphenyls (PCBs), 7 polybrominated diphenyl ethers (PBDEs), and 32 polycyclic aromatic hydrocarbons (PAHs) in fish and shrimps by gas chromatography coupled to mass spectrometry (GC–MS) was developed and validated. A substantial simplification of sample processing prior to quantification step was achieved: after addition of water to homogenized sample, transfer of hydrophobic analytes into ethyl acetate was supported by added inorganic salts. Bulk fat, contained in crude organic extract obtained by partition, was subsequently removed on a silica minicolumn. This approach enabled to process six samples in less than 1\\&\\#xa0;h; moreover, the volume of an extraction solvent and consumption of other chemicals can be significantly reduced compared to, e.g., traditional Soxhlet extraction followed by gel permeation chromatography. The recoveries of target analytes were in the range of 73–120\\% even at the lowest spiking level (1\\&\\#xa0;μg\\&\\#xa0;kg−1), repeatabilities (relative standard deviations, RSDs) ranged from 1 to 20\\%. Under optimized GC–MS conditions (time-of-flight mass analyzer, TOF), the limits of quantification (LOQs) were as follows: PCBs 0.1–0.5\\&\\#xa0;μg\\&\\#xa0;kg−1, PBDEs 0.5\\&\\#xa0;μg\\&\\#xa0;kg−1, and PAHs 0.05–0.25\\&\\#xa0;μg\\&\\#xa0;kg−1. Ambient mass spectrometry employing a direct analysis in real time (DART) ion source was shown as an effective tool for fat control in extract, which is needed during the method development and examination of unknown samples prior to the analysis. Further extension of a method scope by other similar analytes is easily possible.},\n\tnumber = {1–2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Kalachova, Kamila and Pulkrabova, Jana and Drabova, Lucie and Cajka, Tomas and Kocourek, Vladimir and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {DART, Fish, Fish; Shrimps; PCB; PBDE; PAH; GC–TOFMS; DART; AccuTOF, GC–TOFMS, PAH, PBDE, PCB, Shrimps},\n\tpages = {84--91},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n In this study, a new rapid and flexible method for the simultaneous determination of 18 key representatives of polychlorinated biphenyls (PCBs), 7 polybrominated diphenyl ethers (PBDEs), and 32 polycyclic aromatic hydrocarbons (PAHs) in fish and shrimps by gas chromatography coupled to mass spectrometry (GC–MS) was developed and validated. A substantial simplification of sample processing prior to quantification step was achieved: after addition of water to homogenized sample, transfer of hydrophobic analytes into ethyl acetate was supported by added inorganic salts. Bulk fat, contained in crude organic extract obtained by partition, was subsequently removed on a silica minicolumn. This approach enabled to process six samples in less than 1 h; moreover, the volume of an extraction solvent and consumption of other chemicals can be significantly reduced compared to, e.g., traditional Soxhlet extraction followed by gel permeation chromatography. The recoveries of target analytes were in the range of 73–120% even at the lowest spiking level (1 μg kg−1), repeatabilities (relative standard deviations, RSDs) ranged from 1 to 20%. Under optimized GC–MS conditions (time-of-flight mass analyzer, TOF), the limits of quantification (LOQs) were as follows: PCBs 0.1–0.5 μg kg−1, PBDEs 0.5 μg kg−1, and PAHs 0.05–0.25 μg kg−1. Ambient mass spectrometry employing a direct analysis in real time (DART) ion source was shown as an effective tool for fat control in extract, which is needed during the method development and examination of unknown samples prior to the analysis. Further extension of a method scope by other similar analytes is easily possible.\n
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\n \n\n \n \n \n \n \n \n Validation of Thin Layer Chromatography with AccuTOF-DART™ Detection for Forensic Drug Analysis*.\n \n \n \n \n\n\n \n Howlett, S. E.; and Steiner, R. R.\n\n\n \n\n\n\n Journal of Forensic Sciences, 56(5): 1261–1267. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{howlett_validation_2011,\n\ttitle = {Validation of {Thin} {Layer} {Chromatography} with {AccuTOF}-{DART}™ {Detection} for {Forensic} {Drug} {Analysis}*},\n\tvolume = {56},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2011.01881.x},\n\tdoi = {10.1111/j.1556-4029.2011.01881.x},\n\tabstract = {Abstract:  Thin layer chromatography (TLC) is a technique that is commonly employed in the forensic drug analysis of pharmaceutical preparations. Detection is typically accomplished using various visualization spray reagents. Conventional gas chromatography–mass spectrometry (GC-MS) analysis is typically performed to confirm the TLC results. Depending on the drugs tested and the instrument conditions required, this confirmation can take up to an hour to complete. Direct analysis in real time (DART™) is an ionization source, coupled to an accurate-mass time-of-flight mass spectrometer that has the capability to ionize materials under ambient conditions. To streamline analysis, the combination of TLC with DART™ detection is proposed to screen and subsequently identify drug compounds, all from the same TLC plate. DART™ confirmations of TLC analyses take {\\textless}10 min to complete and compare favorably to GC-MS in sensitivity and selectivity. This study validates the use of TLC-DART in the forensic identification of the components of several pharmaceutical preparations.},\n\tnumber = {5},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Howlett, Susanne E. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time, controlled substances, forensic science, forensic science; controlled substances; thin layer chromatography; direct analysis in real time; mass spectrometry; time of flight; AccuTOF, mass spectrometry, thin layer chromatography, time of flight},\n\tpages = {1261--1267},\n}\n\n\n\n
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\n\n\n
\n Abstract:  Thin layer chromatography (TLC) is a technique that is commonly employed in the forensic drug analysis of pharmaceutical preparations. Detection is typically accomplished using various visualization spray reagents. Conventional gas chromatography–mass spectrometry (GC-MS) analysis is typically performed to confirm the TLC results. Depending on the drugs tested and the instrument conditions required, this confirmation can take up to an hour to complete. Direct analysis in real time (DART™) is an ionization source, coupled to an accurate-mass time-of-flight mass spectrometer that has the capability to ionize materials under ambient conditions. To streamline analysis, the combination of TLC with DART™ detection is proposed to screen and subsequently identify drug compounds, all from the same TLC plate. DART™ confirmations of TLC analyses take \\textless10 min to complete and compare favorably to GC-MS in sensitivity and selectivity. This study validates the use of TLC-DART in the forensic identification of the components of several pharmaceutical preparations.\n
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\n \n\n \n \n \n \n \n \n Analysis of Alprazolam by DART-TOF Mass Spectrometry in Counterfeit and Routine Drug Identification Cases.\n \n \n \n \n\n\n \n Samms, W. C.; Jiang, Y. J.; Dixon, M. D.; Houck, S. S.; and Mozayani, A.\n\n\n \n\n\n\n Journal of Forensic Sciences, 56(4): 993–998. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{samms_analysis_2011,\n\ttitle = {Analysis of {Alprazolam} by {DART}-{TOF} {Mass} {Spectrometry} in {Counterfeit} and {Routine} {Drug} {Identification} {Cases}},\n\tvolume = {56},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2011.01767.x},\n\tdoi = {10.1111/j.1556-4029.2011.01767.x},\n\tabstract = {Abstract:  The high prevalence of alprazolam abuse translates to an increased workload for crime laboratories in characterizing seized tablets. These tablets may originate as diverted pharmaceuticals or counterfeited mimics, so efficient analytical techniques should provide confirmatory data while minimizing destruction of evidence. We offer the first report of a validated forensic method for confirming alprazolam tablets by direct analysis in real time–time of flight (DART-TOF) mass spectrometric analysis. This technique provides rapid identification of target analytes with minimal sample preparation, allowing direct analysis in the atmospheric sample gap. Selectivity is achieved through high resolution and mass accuracy, unique ion fragments, and chlorine isotopic ratios. This method utilizes fragmentation in two separate voltage functions to observe the alprazolam pseudo molecular ion at 309.09070 using 40 V and major ion fragments of 281.07197 and 205.07657 at 120 V. These parameters allow our laboratory to confirm alprazolam tablets efficiently, without compromising quality forensic standards.},\n\tnumber = {4},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Samms, Warren C. and Jiang, Yongyi Julia and Dixon, Mark D. and Houck, Stephen S. and Mozayani, Ashraf},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Direct analysis in real time, alprazolam, confirmation, controlled substances, counterfeit, forensic science},\n\tpages = {993--998},\n}\n\n\n\n
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\n Abstract:  The high prevalence of alprazolam abuse translates to an increased workload for crime laboratories in characterizing seized tablets. These tablets may originate as diverted pharmaceuticals or counterfeited mimics, so efficient analytical techniques should provide confirmatory data while minimizing destruction of evidence. We offer the first report of a validated forensic method for confirming alprazolam tablets by direct analysis in real time–time of flight (DART-TOF) mass spectrometric analysis. This technique provides rapid identification of target analytes with minimal sample preparation, allowing direct analysis in the atmospheric sample gap. Selectivity is achieved through high resolution and mass accuracy, unique ion fragments, and chlorine isotopic ratios. This method utilizes fragmentation in two separate voltage functions to observe the alprazolam pseudo molecular ion at 309.09070 using 40 V and major ion fragments of 281.07197 and 205.07657 at 120 V. These parameters allow our laboratory to confirm alprazolam tablets efficiently, without compromising quality forensic standards.\n
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\n \n\n \n \n \n \n \n \n Practical considerations for the rapid screening for pesticides using ambient pressure desorption ionisation with high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Edison, S.; Lin, L.; and Parrales, L.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 28(10): 1393–1404. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PracticalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{edison_practical_2011,\n\ttitle = {Practical considerations for the rapid screening for pesticides using ambient pressure desorption ionisation with high-resolution mass spectrometry},\n\tvolume = {28},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2011.596165},\n\tdoi = {10.1080/19440049.2011.596165},\n\tabstract = {A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80\\% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.\nA rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80\\% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.},\n\tnumber = {10},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Edison, S.E. and Lin, L.A. and Parrales, L.},\n\tyear = {2011},\n\tpages = {1393--1404},\n}\n\n\n\n
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\n A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode. A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.\n
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\n \n\n \n \n \n \n \n \n Direct analysis of dithiocarbamate fungicides in fruit by ambient mass spectrometry.\n \n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Zomer, P.; Mol, H.; and Hajslova, J.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 28(10): 1372–1382. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cajka_direct_2011,\n\ttitle = {Direct analysis of dithiocarbamate fungicides in fruit by ambient mass spectrometry},\n\tvolume = {28},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2011.590456},\n\tdoi = {10.1080/19440049.2011.590456},\n\tabstract = {Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.\nDithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.},\n\tnumber = {10},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Cajka, Tomas and Riddellova, Katerina and Zomer, Paul and Mol, Hans and Hajslova, Jana},\n\tyear = {2011},\n\tpages = {1372--1382},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained. Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.\n
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\n \n\n \n \n \n \n \n \n Determination of drugs and drug-like compounds in different samples with direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n Mass Spectrometry Reviews, 30(5): 875–883. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{chernetsova_determination_2011,\n\ttitle = {Determination of drugs and drug-like compounds in different samples with direct analysis in real time mass spectrometry},\n\tvolume = {30},\n\tissn = {1098-2787},\n\turl = {http://dx.doi.org/10.1002/mas.20304},\n\tdoi = {10.1002/mas.20304},\n\tabstract = {Direct analysis in real time (DART), a relatively new ionization source for mass spectrometry, ionizes small-molecule components from different kinds of samples without any sample preparation and chromatographic separation. The current paper reviews the published data available on the determination of drugs and drug-like compounds in different matrices with DART-MS, including identification and quantitation issues. Parameters that affect ionization efficiency and mass spectra composition are also discussed. © 2011 Wiley Periodicals, Inc., Mass Spec Rev 30:875–883, 2011},\n\tnumber = {5},\n\tjournal = {Mass Spectrometry Reviews},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tyear = {2011},\n\tkeywords = {Ambient mass spectrometry, DART, Direct analysis in real time, drugs, identification, quantitation, review; direct analysis in real time; DART; drugs; identification; quantitation; ambient mass spectrometry},\n\tpages = {875--883},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART), a relatively new ionization source for mass spectrometry, ionizes small-molecule components from different kinds of samples without any sample preparation and chromatographic separation. The current paper reviews the published data available on the determination of drugs and drug-like compounds in different matrices with DART-MS, including identification and quantitation issues. Parameters that affect ionization efficiency and mass spectra composition are also discussed. © 2011 Wiley Periodicals, Inc., Mass Spec Rev 30:875–883, 2011\n
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\n \n\n \n \n \n \n \n \n Some new features of Direct Analysis in Real Time mass spectrometry utilizing the desorption at an angle option.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Revelsky, A. I.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(16): 2275–2282. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SomePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_new_2011,\n\ttitle = {Some new features of {Direct} {Analysis} in {Real} {Time} mass spectrometry utilizing the desorption at an angle option},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5112},\n\tdoi = {10.1002/rcm.5112},\n\tabstract = {The present study is a first step towards the unexplored capabilities of Direct Analysis in Real Time (DART) mass spectrometry (MS) arising from the possibility of the desorption at an angle: scanning analysis of surfaces, including the coupling of thin-layer chromatography (TLC) with DART-MS, and a more sensitive analysis due to the preliminary concentration of analytes dissolved in large volumes of liquids on glass surfaces. In order to select the most favorable conditions for DART-MS analysis, proper positioning of samples is important. Therefore, a simple and cheap technique for the visualization of the impact region of the DART gas stream onto a substrate was developed. A filter paper or TLC plate, previously loaded with the analyte, was immersed in a derivatization solution. On this substrate, owing to the impact of the hot DART gas, reaction of the analyte to a colored product occurred. An improved capability of detection of DART-MS for the analysis of liquids was demonstrated by applying large volumes of model solutions of coumaphos into small glass vessels and drying these solutions prior to DART-MS analysis under ambient conditions. This allowed the introduction of, by up to more than two orders of magnitude, increased quantities of analyte compared with the conventional DART-MS analysis of liquids. Through this improved detectability, the capabilities of DART-MS in trace analysis could be strengthened. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {16},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Revelsky, Alexander I. and Morlock, Gertrud E.},\n\tyear = {2011},\n\tkeywords = {Agilent Quad},\n\tpages = {2275--2282},\n}\n\n\n\n
\n
\n\n\n
\n The present study is a first step towards the unexplored capabilities of Direct Analysis in Real Time (DART) mass spectrometry (MS) arising from the possibility of the desorption at an angle: scanning analysis of surfaces, including the coupling of thin-layer chromatography (TLC) with DART-MS, and a more sensitive analysis due to the preliminary concentration of analytes dissolved in large volumes of liquids on glass surfaces. In order to select the most favorable conditions for DART-MS analysis, proper positioning of samples is important. Therefore, a simple and cheap technique for the visualization of the impact region of the DART gas stream onto a substrate was developed. A filter paper or TLC plate, previously loaded with the analyte, was immersed in a derivatization solution. On this substrate, owing to the impact of the hot DART gas, reaction of the analyte to a colored product occurred. An improved capability of detection of DART-MS for the analysis of liquids was demonstrated by applying large volumes of model solutions of coumaphos into small glass vessels and drying these solutions prior to DART-MS analysis under ambient conditions. This allowed the introduction of, by up to more than two orders of magnitude, increased quantities of analyte compared with the conventional DART-MS analysis of liquids. Through this improved detectability, the capabilities of DART-MS in trace analysis could be strengthened. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Quantitative analysis of major dibenzocyclooctane lignans in schisandrae fructus by online TLC-DART-MS.\n \n \n \n \n\n\n \n Kim, H. J.; Oh, M. S.; Hong, J.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis, 22(3): 258–262. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_quantitative_2011,\n\ttitle = {Quantitative analysis of major dibenzocyclooctane lignans in schisandrae fructus by online {TLC}-{DART}-{MS}},\n\tvolume = {22},\n\tissn = {09580344},\n\turl = {http://doi.wiley.com/10.1002/pca.1273},\n\tdoi = {10.1002/pca.1273},\n\tabstract = {Introduction – Direct analysis in real time (DART) ion source is a powerful ionising technique for the quick and easy detection of various organic molecules without any sample preparation steps, but the lack of quantitation capacity limits its extensive use in the field of phytochemical analysis.\nObjective – To improvise a new system which utilize DART-MS as a hyphenated detector for quantitation.\nMethodology – A total extract of Schisandra chinensis fruit was analyzed on a TLC plate and three major lignan compounds were quantitated by three different methods of UV densitometry, TLC-DART-MS and HPLC-UV to compare the efficiency of each method. To introduce the TLC plate into the DART ion source at a constant velocity, a syringe pump was employed. The DART-MS total ion current chromatogram was recorded for the entire TLC plate. The concentration of each lignan compound was calculated from the calibration curve established with standard compound.\nResults – Gomisin A, gomisin N and schisandrin were well separated on a silica-coated TLC plate and the specific ion current chromatograms were successfully acquired from the TLC-DART-MS system. The TLC-DART-MS system for the quantitation of natural products showed better linearity and specificity than TLC densitometry, and consumed less time and solvent than conventional HPLC method.\nConclusion – A hyphenated system for the quantitation of phytochemicals from crude herbal drugs was successfully established. This system was shown to have a powerful analytical capacity for the prompt and efficient quantitation of natural products from crude drugs.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Oh, Myung Sook and Hong, Jongki and Jang, Young Pyo},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {258--262},\n}\n\n\n\n
\n
\n\n\n
\n Introduction – Direct analysis in real time (DART) ion source is a powerful ionising technique for the quick and easy detection of various organic molecules without any sample preparation steps, but the lack of quantitation capacity limits its extensive use in the field of phytochemical analysis. Objective – To improvise a new system which utilize DART-MS as a hyphenated detector for quantitation. Methodology – A total extract of Schisandra chinensis fruit was analyzed on a TLC plate and three major lignan compounds were quantitated by three different methods of UV densitometry, TLC-DART-MS and HPLC-UV to compare the efficiency of each method. To introduce the TLC plate into the DART ion source at a constant velocity, a syringe pump was employed. The DART-MS total ion current chromatogram was recorded for the entire TLC plate. The concentration of each lignan compound was calculated from the calibration curve established with standard compound. Results – Gomisin A, gomisin N and schisandrin were well separated on a silica-coated TLC plate and the specific ion current chromatograms were successfully acquired from the TLC-DART-MS system. The TLC-DART-MS system for the quantitation of natural products showed better linearity and specificity than TLC densitometry, and consumed less time and solvent than conventional HPLC method. Conclusion – A hyphenated system for the quantitation of phytochemicals from crude herbal drugs was successfully established. This system was shown to have a powerful analytical capacity for the prompt and efficient quantitation of natural products from crude drugs.\n
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\n \n\n \n \n \n \n \n Crushing Garlic and Slicing Onions: Detection of Sulfenic Acids and Other Reactive Organosulfur Intermediates from Garlic and Other Alliums using Direct Analysis in Real-Time Mass Spectrometry (DART-MS).\n \n \n \n\n\n \n Block, E.; Dane, A.; and Cody, R.\n\n\n \n\n\n\n Phosphorus, Sulfur, and Silicon and the Related Elements, 186(5): 1085–1093. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{block_crushing_2011,\n\ttitle = {Crushing {Garlic} and {Slicing} {Onions}: {Detection} of {Sulfenic} {Acids} and {Other} {Reactive} {Organosulfur} {Intermediates} from {Garlic} and {Other} {Alliums} using {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry} ({DART}-{MS})},\n\tvolume = {186},\n\tabstract = {Direct analysis in real-time mass spectrometry (DART-MS) under both positive-ion (PI) and negative-ion (NI) high-resolution (HR) conditions has been used to identify reactive sulfur-containing compounds formed from cutting seven different genus Allium species, garlic, onion, elephant garlic, leek, Chinese chives, and the ornamental species, Allium siculum and A. stipitatum. From cut garlic, PI-DART-MS shows allicin, allyl/methyl and dimethyl thiosulfinates, diallyl trisulfane S-oxide, allyl alcohol, and propene, whereas NI-DART-MS shows 2-propenesulfenic acid, 2-propenesulfinic acid, SO2, and pyruvate. From cut onion, PI-DART-MS shows mainly the lachrymatory factor (LF), along with much lower amounts of thiosulfinates, zwiebelanes, and a bis-sulfine. From cut elephant garlic, both allicin and LF are found, along with thiosulfinates and bis-sulfine. From cut leek, using PI-DART-MS, mixed methyl-1-propenyl-n-propyl thiosulfinates are found, whereas cut Chinese chive shows predominantly methyl with lesser amounts of mixed allyl/methyl thiosufinates. From cut A. siculum, PI-DART-MS shows butanethial S-oxide along with lesser amounts of mixed 1-butenyl/n-butyl/methyl thiosulfinates, while from cut A. stipitatum, N-hydroxy-2-pyridinethione (pyrithone) is seen. PI-DART-MS analysis of all six cut Allium species showed that disulfanes and polysulfanes were absent, which is consistent with these compounds being artifacts from handling and analysis.},\n\tnumber = {5},\n\tjournal = {Phosphorus, Sulfur, and Silicon and the Related Elements},\n\tauthor = {Block, E. and Dane, A.J. and Cody, R.B.},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {1085--1093},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real-time mass spectrometry (DART-MS) under both positive-ion (PI) and negative-ion (NI) high-resolution (HR) conditions has been used to identify reactive sulfur-containing compounds formed from cutting seven different genus Allium species, garlic, onion, elephant garlic, leek, Chinese chives, and the ornamental species, Allium siculum and A. stipitatum. From cut garlic, PI-DART-MS shows allicin, allyl/methyl and dimethyl thiosulfinates, diallyl trisulfane S-oxide, allyl alcohol, and propene, whereas NI-DART-MS shows 2-propenesulfenic acid, 2-propenesulfinic acid, SO2, and pyruvate. From cut onion, PI-DART-MS shows mainly the lachrymatory factor (LF), along with much lower amounts of thiosulfinates, zwiebelanes, and a bis-sulfine. From cut elephant garlic, both allicin and LF are found, along with thiosulfinates and bis-sulfine. From cut leek, using PI-DART-MS, mixed methyl-1-propenyl-n-propyl thiosulfinates are found, whereas cut Chinese chive shows predominantly methyl with lesser amounts of mixed allyl/methyl thiosufinates. From cut A. siculum, PI-DART-MS shows butanethial S-oxide along with lesser amounts of mixed 1-butenyl/n-butyl/methyl thiosulfinates, while from cut A. stipitatum, N-hydroxy-2-pyridinethione (pyrithone) is seen. PI-DART-MS analysis of all six cut Allium species showed that disulfanes and polysulfanes were absent, which is consistent with these compounds being artifacts from handling and analysis.\n
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\n \n\n \n \n \n \n \n \n Surface swabbing technique for the rapid screening for pesticides using ambient pressure desorption ionization with high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Edison, S. E.; Lin, L. A.; Gamble, B. M.; Wong, J.; and Zhang, K.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(1): 127–139. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SurfacePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{edison_surface_2011,\n\ttitle = {Surface swabbing technique for the rapid screening for pesticides using ambient pressure desorption ionization with high-resolution mass spectrometry},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4831},\n\tdoi = {10.1002/rcm.4831},\n\tabstract = {A rapid screening method for pesticides has been developed to promote more efficient processing of produce entering the United States. Foam swabs were used to recover a multiclass mixture of 132 pesticides from the surfaces of grapes, apples, and oranges. The swabs were analyzed using direct analysis in real time (DART) ionization coupled with a high-resolution Exactive Orbitrap™ mass spectrometer. By using a DART helium temperature gradient from 100–350°C over 3 min, a minimal separation of analytes based on volatility differences was achieved. This, combined with the Exactive's mass resolution of 100 000, allowed the chromatographic step, along with the typical compositing and extraction steps associated with gas chromatography/mass spectrometry (GC/MS) or liquid chromatography/mass spectrometry (LC/MS) approaches, to be eliminated. Detection of 86\\% of the analytes present was consistently achieved at levels of 2 ng/g (per each apple or orange) and 10 ng/g (per grape). A resolution study was conducted with four pairs of isobaric compounds analyzed at a mass resolution of 100 000. Baseline separation was achieved with analyte ions differing in mass by 25 ppm and analyte ions with a mass difference of 10 ppm were partially resolved. In addition, field samples that had undergone traditional sample preparation using QuEChERS (quick, easy, cheap, rugged, and safe) were analyzed using both LC/MS and DART-MS and the results from the two techniques were found to be comparable in terms of identification of the pesticides present. The use of swabs greatly increased sample throughput by reducing sample preparation and analysis time. Published in 2010 by John Wiley \\& Sons, Ltd.},\n\tnumber = {1},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Edison, Sara. E. and Lin, Lora A. and Gamble, Bryan M. and Wong, Jon and Zhang, Kai},\n\tyear = {2011},\n\tkeywords = {Orbitrap},\n\tpages = {127--139},\n}\n\n\n\n
\n
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\n A rapid screening method for pesticides has been developed to promote more efficient processing of produce entering the United States. Foam swabs were used to recover a multiclass mixture of 132 pesticides from the surfaces of grapes, apples, and oranges. The swabs were analyzed using direct analysis in real time (DART) ionization coupled with a high-resolution Exactive Orbitrap™ mass spectrometer. By using a DART helium temperature gradient from 100–350°C over 3 min, a minimal separation of analytes based on volatility differences was achieved. This, combined with the Exactive's mass resolution of 100 000, allowed the chromatographic step, along with the typical compositing and extraction steps associated with gas chromatography/mass spectrometry (GC/MS) or liquid chromatography/mass spectrometry (LC/MS) approaches, to be eliminated. Detection of 86% of the analytes present was consistently achieved at levels of 2 ng/g (per each apple or orange) and 10 ng/g (per grape). A resolution study was conducted with four pairs of isobaric compounds analyzed at a mass resolution of 100 000. Baseline separation was achieved with analyte ions differing in mass by 25 ppm and analyte ions with a mass difference of 10 ppm were partially resolved. In addition, field samples that had undergone traditional sample preparation using QuEChERS (quick, easy, cheap, rugged, and safe) were analyzed using both LC/MS and DART-MS and the results from the two techniques were found to be comparable in terms of identification of the pesticides present. The use of swabs greatly increased sample throughput by reducing sample preparation and analysis time. Published in 2010 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Ambient desorption ionization mass spectrometry (DART, DESI) and its bioanalytical applications.\n \n \n \n \n\n\n \n Morlock, G.\n\n\n \n\n\n\n Bioanalytical Reviews, 3(1): 1–9. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{morlock_ambient_2011,\n\ttitle = {Ambient desorption ionization mass spectrometry ({DART}, {DESI}) and its bioanalytical applications},\n\tvolume = {3},\n\tissn = {1867-2086},\n\turl = {http://dx.doi.org/10.1007/s12566-010-0019-5},\n\tdoi = {10.1007/s12566-010-0019-5},\n\tabstract = {In recent years, ambient desorption ionization techniques for mass spectrometry were introduced. Among them, the most established techniques are Direct Analysis in Real Time (DART) and Desorption Electrospray Ionization (DESI). Therefore, the current review focuses on the bioanalytical applications of ambient desorption ionization techniques by the example of DART and DESI mass spectrometry. The potential and also limitations of both ambient mass spectrometry (MS) techniques in such areas, as identification and quantitation of small molecules, coupling DART-MS and DESI-MS with planar chromatography, protein/peptide analysis, as well as molecular imaging applications, are discussed.},\n\tnumber = {1},\n\tjournal = {Bioanalytical Reviews},\n\tauthor = {Morlock, Gertrud},\n\tyear = {2011},\n\tkeywords = {Ambient mass spectrometry, Bioanalytical methods, Chemistry and Materials Science, Desorption electrospray ionization – DESI, Direct analysis in real time – DART, identification, quantitation},\n\tpages = {1--9},\n}\n\n\n\n
\n
\n\n\n
\n In recent years, ambient desorption ionization techniques for mass spectrometry were introduced. Among them, the most established techniques are Direct Analysis in Real Time (DART) and Desorption Electrospray Ionization (DESI). Therefore, the current review focuses on the bioanalytical applications of ambient desorption ionization techniques by the example of DART and DESI mass spectrometry. The potential and also limitations of both ambient mass spectrometry (MS) techniques in such areas, as identification and quantitation of small molecules, coupling DART-MS and DESI-MS with planar chromatography, protein/peptide analysis, as well as molecular imaging applications, are discussed.\n
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\n\n\n
\n \n\n \n \n \n \n \n \n Analysis of printing and writing papers by using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Adams, J.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 301(1–3): 109–126. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{adams_analysis_2011,\n\ttitle = {Analysis of printing and writing papers by using direct analysis in real time mass spectrometry},\n\tvolume = {301},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380610002617},\n\tdoi = {10.1016/j.ijms.2010.07.025},\n\tabstract = {A quick and direct method for identifying organic components of papers in library and archival collections with minimal destructive sampling is needed for preservation, forensic, and general purposes. Direct analysis in real time mass spectrometry (DART-MS) is used for characterizing 16 reference papers of known manufacture in terms of their pulp composition and pitch contaminants. Unique mass spectra are obtained from bleached kraft, chemithermomechanical, and stone groundwood pulp papers in real time without extractions, derivatizations, chromatographic separations, and other time- and chemical-consuming sample preparations. Phytosteroids are volatilized from bleached hardwood kraft but not from bleached softwood kraft papers, which differentiates the two of them. The kraft papers are in turn differentiated from chemithermomechanical pulp papers by lignin-derived thermolyis products: syringyl products arise from hardwood, but guaiacyl and coumaryl products arise from softwood, chemithermomechanical pulp papers. Stone groundwood papers contain a number of extractives that are volatilized, which serve to differentiate them from all the other papers. Papers that contain rosin vs. alkyl ketene dimer (AKD) sizings are immediately differentiated. The DART-MS methodology is fast and simple, and the spectra are repeatable. Microsamples as small as ∼10\\&\\#xa0;μg tweezed from the paper surface may be analyzed. These benchmark spectra are the prelude to further applications of DART-MS in paper research and the beginning of the development of a searchable library of DART-MS spectra of printing and writing papers by the Library of Congress.},\n\tnumber = {1–3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Adams, Jeanette},\n\tyear = {2011},\n\tkeywords = {AccuTOF, DART, Direct analysis in real time, Extractives, Lignin, Paper, Pulp},\n\tpages = {109--126},\n}\n\n\n\n
\n
\n\n\n
\n A quick and direct method for identifying organic components of papers in library and archival collections with minimal destructive sampling is needed for preservation, forensic, and general purposes. Direct analysis in real time mass spectrometry (DART-MS) is used for characterizing 16 reference papers of known manufacture in terms of their pulp composition and pitch contaminants. Unique mass spectra are obtained from bleached kraft, chemithermomechanical, and stone groundwood pulp papers in real time without extractions, derivatizations, chromatographic separations, and other time- and chemical-consuming sample preparations. Phytosteroids are volatilized from bleached hardwood kraft but not from bleached softwood kraft papers, which differentiates the two of them. The kraft papers are in turn differentiated from chemithermomechanical pulp papers by lignin-derived thermolyis products: syringyl products arise from hardwood, but guaiacyl and coumaryl products arise from softwood, chemithermomechanical pulp papers. Stone groundwood papers contain a number of extractives that are volatilized, which serve to differentiate them from all the other papers. Papers that contain rosin vs. alkyl ketene dimer (AKD) sizings are immediately differentiated. The DART-MS methodology is fast and simple, and the spectra are repeatable. Microsamples as small as ∼10 μg tweezed from the paper surface may be analyzed. These benchmark spectra are the prelude to further applications of DART-MS in paper research and the beginning of the development of a searchable library of DART-MS spectra of printing and writing papers by the Library of Congress.\n
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\n \n\n \n \n \n \n \n \n Thin layer chromatography/mass spectrometry.\n \n \n \n \n\n\n \n Cheng, S.; Huang, M.; and Shiea, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1218(19): 2700–2711. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ThinPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cheng_thin_2011,\n\ttitle = {Thin layer chromatography/mass spectrometry},\n\tvolume = {1218},\n\turl = {http://dx.doi.org/10.1016/j.chroma.2011.01.077},\n\tabstract = {Thin layer chromatography (TLC)—a simple, cost-effective, and easy-to-operate planar chromatographic technique—has been used in general chemistry laboratories for several decades to routinely separate chemical and biochemical compounds. Traditionally, chemical and optical methods are employed to visualize the analyte spots on the TLC plate. Because direct identification and structural characterization of the analytes on the TLC plate through these methods are not possible, there has been long-held interest in the development of interfaces that allow TLC to be combined with mass spectrometry (MS)—one of the most efficient analytical tools for structural elucidation. So far, many different TLC–MS techniques have been reported in the literature; some are commercially available. According to differences in their operational processes, the existing TLC–MS systems can be classified into two categories: (i) indirect mass spectrometric analyses, performed by scraping, extracting, purifying, and concentrating the analyte from the TLC plate and then directing it into the mass spectrometer's ion source for further analysis; (ii) direct mass spectrometric analyses, where the analyte on the TLC plate is characterized directly through mass spectrometry without the need for scraping, extraction, or concentration processes. Conventionally, direct TLC–MS analysis is performed under vacuum, but the development of ambient mass spectrometry has allowed analytes on TLC plates to be characterized under atmospheric pressure. Thus, TLC–MS techniques can also be classified into two other categories according to the working environment of the ion source: vacuum-based TLC–MS or ambient TLC–MS. This review article describes the state of the art of TLC–MS techniques used for indirect and direct characterization of analytes on the surfaces of TLC plates.},\n\tnumber = {19},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Cheng, Sy-Chyi and Huang, Min-Zong and Shiea, Jentaie},\n\tyear = {2011},\n\tkeywords = {Review; TLC–MS; Ambient ionization; Vacuum-based ionization; Desorption/ionization; Direct sampling; Indirect sampling},\n\tpages = {2700--2711},\n}\n\n\n\n
\n
\n\n\n
\n Thin layer chromatography (TLC)—a simple, cost-effective, and easy-to-operate planar chromatographic technique—has been used in general chemistry laboratories for several decades to routinely separate chemical and biochemical compounds. Traditionally, chemical and optical methods are employed to visualize the analyte spots on the TLC plate. Because direct identification and structural characterization of the analytes on the TLC plate through these methods are not possible, there has been long-held interest in the development of interfaces that allow TLC to be combined with mass spectrometry (MS)—one of the most efficient analytical tools for structural elucidation. So far, many different TLC–MS techniques have been reported in the literature; some are commercially available. According to differences in their operational processes, the existing TLC–MS systems can be classified into two categories: (i) indirect mass spectrometric analyses, performed by scraping, extracting, purifying, and concentrating the analyte from the TLC plate and then directing it into the mass spectrometer's ion source for further analysis; (ii) direct mass spectrometric analyses, where the analyte on the TLC plate is characterized directly through mass spectrometry without the need for scraping, extraction, or concentration processes. Conventionally, direct TLC–MS analysis is performed under vacuum, but the development of ambient mass spectrometry has allowed analytes on TLC plates to be characterized under atmospheric pressure. Thus, TLC–MS techniques can also be classified into two other categories according to the working environment of the ion source: vacuum-based TLC–MS or ambient TLC–MS. This review article describes the state of the art of TLC–MS techniques used for indirect and direct characterization of analytes on the surfaces of TLC plates.\n
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\n \n\n \n \n \n \n \n \n Purification of pharmaceutical preparations using thin-layer chromatography to obtain mass spectra with Direct Analysis in Real Time and accurate mass spectrometry.\n \n \n \n \n\n\n \n Wood, J. L.; and Steiner, R. R.\n\n\n \n\n\n\n Drug Testing and Analysis, 3(6): 345–351. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PurificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wood_purification_2011,\n\ttitle = {Purification of pharmaceutical preparations using thin-layer chromatography to obtain mass spectra with {Direct} {Analysis} in {Real} {Time} and accurate mass spectrometry},\n\tvolume = {3},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.293},\n\tdoi = {10.1002/dta.293},\n\tabstract = {Forensic analysis of pharmaceutical preparations requires a comparative analysis with a standard of the suspected drug in order to identify the active ingredient. Purchasing analytical standards can be expensive or unattainable from the drug manufacturers. Direct Analysis in Real Time (DART™) is a novel, ambient ionization technique, typically coupled with a JEOL AccuTOF™ (accurate mass) mass spectrometer. While a fast and easy technique to perform, a drawback of using DART™ is the lack of component separation of mixtures prior to ionization. Various in-house pharmaceutical preparations were purified using thin-layer chromatography (TLC) and mass spectra were subsequently obtained using the AccuTOF™- DART™ technique. Utilizing TLC prior to sample introduction provides a simple, low-cost solution to acquiring mass spectra of the purified preparation. Each spectrum was compared against an in-house molecular formula list to confirm the accurate mass elemental compositions. Spectra of purified ingredients of known pharmaceuticals were added to an in-house library for use as comparators for casework samples. Resolving isomers from one another can be accomplished using collision-induced dissociation after ionization. Challenges arose when the pharmaceutical preparation required an optimized TLC solvent to achieve proper separation and purity of the standard. Purified spectra were obtained for 91 preparations and included in an in-house drug standard library. Primary standards would only need to be purchased when pharmaceutical preparations not previously encountered are submitted for comparative analysis. TLC prior to DART™ analysis demonstrates a time efficient and cost saving technique for the forensic drug analysis community. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {6},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Wood, Jessica L. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Direct analysis in real time, forensic science, pharmaceutical preparations, thin-layer chromatography, time of flight},\n\tpages = {345--351},\n}\n\n\n\n
\n
\n\n\n
\n Forensic analysis of pharmaceutical preparations requires a comparative analysis with a standard of the suspected drug in order to identify the active ingredient. Purchasing analytical standards can be expensive or unattainable from the drug manufacturers. Direct Analysis in Real Time (DART™) is a novel, ambient ionization technique, typically coupled with a JEOL AccuTOF™ (accurate mass) mass spectrometer. While a fast and easy technique to perform, a drawback of using DART™ is the lack of component separation of mixtures prior to ionization. Various in-house pharmaceutical preparations were purified using thin-layer chromatography (TLC) and mass spectra were subsequently obtained using the AccuTOF™- DART™ technique. Utilizing TLC prior to sample introduction provides a simple, low-cost solution to acquiring mass spectra of the purified preparation. Each spectrum was compared against an in-house molecular formula list to confirm the accurate mass elemental compositions. Spectra of purified ingredients of known pharmaceuticals were added to an in-house library for use as comparators for casework samples. Resolving isomers from one another can be accomplished using collision-induced dissociation after ionization. Challenges arose when the pharmaceutical preparation required an optimized TLC solvent to achieve proper separation and purity of the standard. Purified spectra were obtained for 91 preparations and included in an in-house drug standard library. Primary standards would only need to be purchased when pharmaceutical preparations not previously encountered are submitted for comparative analysis. TLC prior to DART™ analysis demonstrates a time efficient and cost saving technique for the forensic drug analysis community. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n In-situ and Rapid Identification of Tea by Diect Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Zhang, J.; Zhang, W.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Chinese Journal of Chromatography, 29(7): 681–686. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhang_-situ_2011,\n\ttitle = {In-situ and {Rapid} {Identification} of {Tea} by {Diect} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {29},\n\tabstract = {By applying an ambient mass spectrometric method-direct analysis in real time mass spectrometry (DART MS), a method was developed for rapid identification of the principal constituents in different kinds of tea. The identification of different kinds of tea was also achieved by characteristic mass spectrometric signals. Under atmospheric pressure, DART MS method does not require any sample preparation, greatly reduces the analysis time, realizes the in situ, rapid, accurate, and high-throughput analysis.},\n\tnumber = {7},\n\tjournal = {Chinese Journal of Chromatography},\n\tauthor = {Zhang, J. and Zhang, W. and Zhou, Z. and Bai, Y. and Liu, H.},\n\tyear = {2011},\n\tkeywords = {ion trap; XCT},\n\tpages = {681--686},\n}\n\n\n\n
\n
\n\n\n
\n By applying an ambient mass spectrometric method-direct analysis in real time mass spectrometry (DART MS), a method was developed for rapid identification of the principal constituents in different kinds of tea. The identification of different kinds of tea was also achieved by characteristic mass spectrometric signals. Under atmospheric pressure, DART MS method does not require any sample preparation, greatly reduces the analysis time, realizes the in situ, rapid, accurate, and high-throughput analysis.\n
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\n \n\n \n \n \n \n \n Increasing the rate of sample vaporization in an open air desorption ionization source by using a heated metal screen as a sample holder.\n \n \n \n\n\n \n Krechmer, J.; Tice, J.; Crawford, E.; and Musselman, B.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(17): 2384–2388. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{krechmer_increasing_2011,\n\ttitle = {Increasing the rate of sample vaporization in an open air desorption ionization source by using a heated metal screen as a sample holder},\n\tvolume = {25},\n\tdoi = {10.1002/rcm.5133},\n\tabstract = {Rapid vaporization of sample into the ionizing gas exiting a direct analysis in real time (DARTW) source has been enabled by directing a high electrical current through a metal wire screen to which sample has been applied. This direct heating of the screen enables rapid vaporization of sample as the wire temperature rises from room temperature to greater than 400C in less than 20s. Positioning the screen between the DARTsource and atmospheric pressure inlet of the mass spectrometer ensures that the ionizing gas is in close proximity to the sample molecules, resulting in efficient ionization while significantly reducing the time required for mass spectrometric analysis. The capability to modulate the electrical current flow through the wires facilitates either rapid desorption for the determination of single component samples or slower desorption where analysis of mixtures might be desired. The technology also enables deployment of strategies for the determination of chemicals present as powders that might otherwise require dissolution prior to analysis. Results from the use of this thermally assisted DART (‘TA-DART’) system for the analysis of pure compounds, simple mixtures, solids and low vapor pressure samples are presented.},\n\tnumber = {17},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Krechmer, Jordan and Tice, Joseph and Crawford, Elizabeth and Musselman, Brian},\n\tyear = {2011},\n\tkeywords = {Agilent Quad},\n\tpages = {2384--2388},\n}\n\n\n\n
\n
\n\n\n
\n Rapid vaporization of sample into the ionizing gas exiting a direct analysis in real time (DARTW) source has been enabled by directing a high electrical current through a metal wire screen to which sample has been applied. This direct heating of the screen enables rapid vaporization of sample as the wire temperature rises from room temperature to greater than 400C in less than 20s. Positioning the screen between the DARTsource and atmospheric pressure inlet of the mass spectrometer ensures that the ionizing gas is in close proximity to the sample molecules, resulting in efficient ionization while significantly reducing the time required for mass spectrometric analysis. The capability to modulate the electrical current flow through the wires facilitates either rapid desorption for the determination of single component samples or slower desorption where analysis of mixtures might be desired. The technology also enables deployment of strategies for the determination of chemicals present as powders that might otherwise require dissolution prior to analysis. Results from the use of this thermally assisted DART (‘TA-DART’) system for the analysis of pure compounds, simple mixtures, solids and low vapor pressure samples are presented.\n
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\n \n\n \n \n \n \n \n \n Thin Layer Chromatography/Plasma Assisted Multiwavelength Laser Desorption Ionization Mass Spectrometry for Facile Separation and Selective Identification of Low Molecular Weight Compounds.\n \n \n \n \n\n\n \n Zhang, J.; Zhou, Z.; Yang, J.; Zhang, W.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Anal. Chem., 84(3): 1496–1503. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ThinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zhang_thin_2011,\n\ttitle = {Thin {Layer} {Chromatography}/{Plasma} {Assisted} {Multiwavelength} {Laser} {Desorption} {Ionization} {Mass} {Spectrometry} for {Facile} {Separation} and {Selective} {Identification} of {Low} {Molecular} {Weight} {Compounds}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac202732y},\n\tdoi = {10.1021/ac202732y},\n\tabstract = {A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.\nA novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.},\n\tnumber = {3},\n\tjournal = {Anal. Chem.},\n\tauthor = {Zhang, Jialing and Zhou, Zhigui and Yang, Jianwang and Zhang, Wei and Bai, Yu and Liu, Huwei},\n\tyear = {2011},\n\tkeywords = {DART, LDI, laser desorption, TLC},\n\tpages = {1496--1503},\n}\n\n\n\n
\n
\n\n\n
\n A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2. A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.\n
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\n \n\n \n \n \n \n \n \n Development and validation of AccuTOF-DART™ as a screening method for analysis of bank security device and pepper spray components.\n \n \n \n \n\n\n \n Pfaff, A. M.; and Steiner, R. R.\n\n\n \n\n\n\n Forensic Science International, 206(1–3): 62–70. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DevelopmentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{pfaff_development_2011,\n\ttitle = {Development and validation of {AccuTOF}-{DART}™ as a screening method for analysis of bank security device and pepper spray components},\n\tvolume = {206},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073810003154},\n\tdoi = {10.1016/j.forsciint.2010.06.018},\n\tabstract = {Analysis of bank security devices, containing 1-methylaminoanthraquinone (MAAQ) and o-chlorobenzylidenemalononitrile (CS), and pepper sprays, containing capsaicin, is a lengthy process with no specific screening technique to aid in identifying samples of interest. Direct Analysis in Real Time (DART™) ionization coupled with an Accurate Time of Flight (AccuTOF) mass detector is a fast, ambient ionization source that could significantly reduce time spent on these cases and increase the specificity of the screening process. A new method for screening clothing for bank dye and pepper spray, using AccuTOF-DART™ analysis, has been developed. Detection of MAAQ, CS, and capsaicin was achieved via extraction of each compound onto cardstock paper, which was then sampled in the AccuTOF-DART™. All results were verified using gas chromatography coupled with electron impact mass spectrometry.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Pfaff, Allison M. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {Bank dye, Direct analysis in real time, Forensic science; Bank dye; Pepper spray; Direct Analysis in Real Time; Mass spectrometry; Time of flight; AccuTOF, Pepper spray, forensic science, mass spectrometry, time of flight},\n\tpages = {62--70},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Analysis of bank security devices, containing 1-methylaminoanthraquinone (MAAQ) and o-chlorobenzylidenemalononitrile (CS), and pepper sprays, containing capsaicin, is a lengthy process with no specific screening technique to aid in identifying samples of interest. Direct Analysis in Real Time (DART™) ionization coupled with an Accurate Time of Flight (AccuTOF) mass detector is a fast, ambient ionization source that could significantly reduce time spent on these cases and increase the specificity of the screening process. A new method for screening clothing for bank dye and pepper spray, using AccuTOF-DART™ analysis, has been developed. Detection of MAAQ, CS, and capsaicin was achieved via extraction of each compound onto cardstock paper, which was then sampled in the AccuTOF-DART™. All results were verified using gas chromatography coupled with electron impact mass spectrometry.\n
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\n \n\n \n \n \n \n \n Study on rapid and direct analysis of illegally added six PDE5 inhibitors in health food by DART-MS/MS method.\n \n \n \n\n\n \n CHENG, Xian-lon; LI ,Wen-jie; LI, Wei-jian; XIAO, Xin-yue; LIN, Rui-chao; and WEI, Feng\n\n\n \n\n\n\n Chinese Journal of Pharmaceutical Analysis, 31: 438–442. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cheng_xian-lon_study_2011,\n\ttitle = {Study on rapid and direct analysis of illegally added six {PDE5} inhibitors in health food by {DART}-{MS}/{MS} method},\n\tvolume = {31},\n\tdoi = {CNKI:SUN:YWFX.0.2011-03-005},\n\tabstract = {To develop a directed analysis of 6 phosphodiesterase 5(PDE5)inhibitors:sildenafil,tadalafil,acetildenafil,hydroxyhomosildenafil,aminotadalafil,pseudo-vardenfil in health food.Methods:Triple quadrupol MS with DART ion souce was used to perform the direct analysis.The DART sampler delivery rate was 0.2 mm·s-1.The temperature of carry gas of DART was 450 ℃.The capillary voltage was kept at 4 kV.The temperature of the drying gas of triple quadrupol MS was set at 350 ℃.The flow rate of the drying gas of triple quadrupol MS was set at 10 L·min-1,respectively.Product ion scan mode was used with scan range from 50-550 amu.The precursor ions were set as m/z 475.1(sildenafil),m/z 467.2(acetildenafil),m/z 505.1(hydroxyhomosildenafil),m/z 390.1(tadalafil),m/z 391.2(aminotadalafil),m/z 460.3(pseudo-vardenfil).The identification was performed by comparing the mass spectrum of detected peak in samples with the mass spectrum of peak in reference substance.Results:The limit of detection for each of 6 PDE5 inhibitors was under 1 μg·g-1.Sildenafil was detected in 6 samples,and tadalafil was detected in 1 sample.Conclusion:The method is employed to simultaneous detection of 6 PDE5 inhibitors in health food.},\n\tjournal = {Chinese Journal of Pharmaceutical Analysis},\n\tauthor = {{CHENG, Xian-lon} and {LI ,Wen-jie} and {LI, Wei-jian} and {XIAO, Xin-yue} and {LIN, Rui-chao} and {WEI, Feng}},\n\tyear = {2011},\n\tpages = {438--442},\n}\n\n\n\n
\n
\n\n\n
\n To develop a directed analysis of 6 phosphodiesterase 5(PDE5)inhibitors:sildenafil,tadalafil,acetildenafil,hydroxyhomosildenafil,aminotadalafil,pseudo-vardenfil in health food.Methods:Triple quadrupol MS with DART ion souce was used to perform the direct analysis.The DART sampler delivery rate was 0.2 mm·s-1.The temperature of carry gas of DART was 450 ℃.The capillary voltage was kept at 4 kV.The temperature of the drying gas of triple quadrupol MS was set at 350 ℃.The flow rate of the drying gas of triple quadrupol MS was set at 10 L·min-1,respectively.Product ion scan mode was used with scan range from 50-550 amu.The precursor ions were set as m/z 475.1(sildenafil),m/z 467.2(acetildenafil),m/z 505.1(hydroxyhomosildenafil),m/z 390.1(tadalafil),m/z 391.2(aminotadalafil),m/z 460.3(pseudo-vardenfil).The identification was performed by comparing the mass spectrum of detected peak in samples with the mass spectrum of peak in reference substance.Results:The limit of detection for each of 6 PDE5 inhibitors was under 1 μg·g-1.Sildenafil was detected in 6 samples,and tadalafil was detected in 1 sample.Conclusion:The method is employed to simultaneous detection of 6 PDE5 inhibitors in health food.\n
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\n \n\n \n \n \n \n \n Analytical methods for the quantification of volatile aromatic compounds.\n \n \n \n\n\n \n Biniecka, M.; and Caroli, S.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry, 30(11): 1756–1770. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{biniecka_analytical_2011,\n\ttitle = {Analytical methods for the quantification of volatile aromatic compounds},\n\tvolume = {30},\n\tabstract = {The investigation of odorants is not an easy task, which needs to be undertaken in the context of fit-for-purpose quality systems. To date, great attention has been paid to determination of the volatile fractions of odorants, since they are responsible for the attributes of global flavor [i.e. a combination of olfactory (aroma) and gustatory (taste) sensations produced by chemicals]. This kind of determination can be carried out by analytical techniques [e.g., gas chromatography (GC) combined with mass spectrometry and/or olfactometric GC]. Methods complementary to GC analysis are available, allowing assessment of the olfactory impact by an electronic nose (e-nose) or a panel of selected individuals. Also, we consider some innovative analytical techniques to study the effects of odorants in food during consumption.},\n\tnumber = {11},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Biniecka, Małgorzata and Caroli, Sergio},\n\tyear = {2011},\n\tkeywords = {Analytical method; Electronic nose; Food odorant; Gas chromatography; Mass spectrometry; Odorant; Odorant determination; Olfactometric gas chromatography; Volatile aromatic compound},\n\tpages = {1756--1770},\n}\n\n\n\n
\n
\n\n\n
\n The investigation of odorants is not an easy task, which needs to be undertaken in the context of fit-for-purpose quality systems. To date, great attention has been paid to determination of the volatile fractions of odorants, since they are responsible for the attributes of global flavor [i.e. a combination of olfactory (aroma) and gustatory (taste) sensations produced by chemicals]. This kind of determination can be carried out by analytical techniques [e.g., gas chromatography (GC) combined with mass spectrometry and/or olfactometric GC]. Methods complementary to GC analysis are available, allowing assessment of the olfactory impact by an electronic nose (e-nose) or a panel of selected individuals. Also, we consider some innovative analytical techniques to study the effects of odorants in food during consumption.\n
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\n \n\n \n \n \n \n \n \n Identification of ambiguous cubeb fruit by DART-MS-based fingerprinting combined with principal component analysis.\n \n \n \n \n\n\n \n Kim, H. J.; Baek, W. S.; and Jang, Y. P.\n\n\n \n\n\n\n Food Chemistry, 129(3): 1305–1310. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kim_identification_2011,\n\ttitle = {Identification of ambiguous cubeb fruit by {DART}-{MS}-based fingerprinting combined with principal component analysis},\n\tvolume = {129},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814611007862},\n\tdoi = {10.1016/j.foodchem.2011.05.083},\n\tabstract = {The cubeb berry has been used as a spice and medicinal herb since medieval times. In China, Litsea cubeba (Lauraceae) has been designated as the cubeb tree; in other countries, Piper cubeba (Piperaceae) is considered as the cubeb. Since most cubeb berries in the Korean market are imported from China, there is a need to develop an efficient analytical method for the identification of the origin of cubeb fruit. Thirty-two commercial cubeb samples were collected from China, Korea, and Indonesia, and direct analysis in real time mass spectrometry (DART-MS) was employed to obtain a chemical fingerprint of each sample for multivariate analysis. Cubebene was identified as a marker molecule for P. cubeba, and all cubeb samples from Korean markets were identified as the fruit of L. cubeba. DART-MS fingerprinting together with principal component analysis can be applied as a promising method for rapid identification and/or quality control of cubeb berries.},\n\tnumber = {3},\n\tjournal = {Food Chemistry},\n\tauthor = {Kim, Hye Jin and Baek, Wan Sook and Jang, Young Pyo},\n\tyear = {2011},\n\tkeywords = {Cubeb berries, Cubeb berries; Piper cubeba; Litsea cubeba; DART-MS; Principal component analysis; AccuTOF, DART-MS, Litsea cubeba, Piper cubeba, Principal component analysis},\n\tpages = {1305--1310},\n}\n\n\n\n
\n
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\n The cubeb berry has been used as a spice and medicinal herb since medieval times. In China, Litsea cubeba (Lauraceae) has been designated as the cubeb tree; in other countries, Piper cubeba (Piperaceae) is considered as the cubeb. Since most cubeb berries in the Korean market are imported from China, there is a need to develop an efficient analytical method for the identification of the origin of cubeb fruit. Thirty-two commercial cubeb samples were collected from China, Korea, and Indonesia, and direct analysis in real time mass spectrometry (DART-MS) was employed to obtain a chemical fingerprint of each sample for multivariate analysis. Cubebene was identified as a marker molecule for P. cubeba, and all cubeb samples from Korean markets were identified as the fruit of L. cubeba. DART-MS fingerprinting together with principal component analysis can be applied as a promising method for rapid identification and/or quality control of cubeb berries.\n
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\n \n\n \n \n \n \n \n \n Clarification of the composition of [M+18] ions in DART mass spectra of polyethylene glycol using high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E.; Ovcharov, M.; Zatonskii, G.; Abramovich, R.; and Revelskii, I.\n\n\n \n\n\n\n Journal of Analytical Chemistry, 66(13): 1348–1351. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ClarificationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_clarification_2011,\n\ttitle = {Clarification of the composition of [{M}+18] ions in {DART} mass spectra of polyethylene glycol using high-resolution mass spectrometry},\n\tvolume = {66},\n\tissn = {1061-9348},\n\turl = {http://dx.doi.org/10.1134/S1061934811130016},\n\tabstract = {10.1134/S1061934811130016},\n\tnumber = {13},\n\tjournal = {Journal of Analytical Chemistry},\n\tauthor = {Chernetsova, E. and Ovcharov, M. and Zatonskii, G. and Abramovich, R. and Revelskii, I.},\n\tyear = {2011},\n\tpages = {1348--1351},\n}\n\n\n\n
\n
\n\n\n
\n 10.1134/S1061934811130016\n
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\n \n\n \n \n \n \n \n Direct Identification of Dyes in Textiles by Direct Analysis in Real Time-Time of Flight Mass Spectrometry.\n \n \n \n\n\n \n Deroo, C. S.; and Armitage, R. A.\n\n\n \n\n\n\n Analytical Chemistry, 83(18): 6924–6928. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{deroo_direct_2011,\n\ttitle = {Direct {Identification} of {Dyes} in {Textiles} by {Direct} {Analysis} in {Real} {Time}-{Time} of {Flight} {Mass} {Spectrometry}},\n\tvolume = {83},\n\tdoi = {10.1021/ac201747s},\n\tabstract = {We present here a method requiring no sample preparation for direct identification of the organic dye compounds quercetin, indigotin, and alizarin in reference materials, in solution, and also in situ in dyed fibers by use of direct analysis in real time (DART) ionization and high-resolution time-of-flight mass spectrometry. Exact mass determinations on small samples of dyed textiles were completed in less than 1 min. With the ability to identify flavonoid, indigoid, and anthraquinone classes of dyes, this technique shows early promise as an additional analytical tool in the challenging analysis of organic dyes in rare cultural heritage materials and possesses the unique advantages of sensitivity and simplicity without the preparatory procedures required by other methods.},\n\tnumber = {18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Deroo, Cathy Selvius and Armitage, Ruth Ann},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {6924--6928},\n}\n\n\n\n
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\n We present here a method requiring no sample preparation for direct identification of the organic dye compounds quercetin, indigotin, and alizarin in reference materials, in solution, and also in situ in dyed fibers by use of direct analysis in real time (DART) ionization and high-resolution time-of-flight mass spectrometry. Exact mass determinations on small samples of dyed textiles were completed in less than 1 min. With the ability to identify flavonoid, indigoid, and anthraquinone classes of dyes, this technique shows early promise as an additional analytical tool in the challenging analysis of organic dyes in rare cultural heritage materials and possesses the unique advantages of sensitivity and simplicity without the preparatory procedures required by other methods.\n
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\n \n\n \n \n \n \n \n \n Challenging applications offered by direct analysis in real time (DART) in food-quality and safety analysis.\n \n \n \n \n\n\n \n Hajslova, J.; Cajka, T.; and Vaclavik, L.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry, 30(2): 204–218. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ChallengingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{hajslova_challenging_2011,\n\ttitle = {Challenging applications offered by direct analysis in real time ({DART}) in food-quality and safety analysis},\n\tvolume = {30},\n\tissn = {0165-9936},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0165993610003134},\n\tdoi = {10.1016/j.trac.2010.11.001},\n\tabstract = {Direct analysis in real time (DART) is an ambient ionization technique undergoing rapid development. With minimal sample pre-treatment, ionization of analyte molecules outside the mass spectrometry (MS) instrument in the ordinary atmosphere is feasible. This ionization approach relies upon the fundamental principles of atmospheric pressure chemical ionization.\n\nThe current review highlights and critically assesses application of DART (and some related desorption/ionization techniques) coupled to various types of MS analyzers for both target and non-target analysis of complex food matrices. Based on existing studies, DART-MS is presented as a simple, high-throughput tool for:(i)\nqualitative confirmation of chemical identity;\n(ii)\nmetabolomic fingerprinting/profiling; and,\n(iii)\nquantification of low-molecular-weight food components, including some trace organic contaminants.\n\n\nWith regard to regulatory requirements, we mention practical aspects of DART-MS use, as well as performance characteristics that can be attained.},\n\tnumber = {2},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Hajslova, Jana and Cajka, Tomas and Vaclavik, Lukas},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Ambient ionization, Atmospheric pressure chemical ionization, Contaminant, DART, Direct analysis in real time, Fingerprinting, Food quality, Food safety, Profiling, mass spectrometry},\n\tpages = {204--218},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is an ambient ionization technique undergoing rapid development. With minimal sample pre-treatment, ionization of analyte molecules outside the mass spectrometry (MS) instrument in the ordinary atmosphere is feasible. This ionization approach relies upon the fundamental principles of atmospheric pressure chemical ionization. The current review highlights and critically assesses application of DART (and some related desorption/ionization techniques) coupled to various types of MS analyzers for both target and non-target analysis of complex food matrices. Based on existing studies, DART-MS is presented as a simple, high-throughput tool for:(i) qualitative confirmation of chemical identity; (ii) metabolomic fingerprinting/profiling; and, (iii) quantification of low-molecular-weight food components, including some trace organic contaminants. With regard to regulatory requirements, we mention practical aspects of DART-MS use, as well as performance characteristics that can be attained.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time coupled with dried spot sampling for bioanalysis in a drug-discovery setting.\n \n \n \n \n\n\n \n Crawford, E.; Gordon, J.; Wu, J.; Musselman, B.; Liu, R.; and Yu, S.\n\n\n \n\n\n\n Bioanalysis, 3(11): 1217–1226. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{crawford_direct_2011,\n\ttitle = {Direct analysis in real time coupled with dried spot sampling for bioanalysis in a drug-discovery setting},\n\tvolume = {3},\n\tissn = {1757-6180},\n\turl = {http://dx.doi.org/10.4155/bio.11.99},\n\tdoi = {10.4155/bio.11.99},\n\tabstract = {Background: Conventional mouse or rat pharmacokinetic/toxicokinetic (PK/TK) studies frequently require sacrifice or use of multiple animals for a full time-course in order to obtain adequate blood volume. Currently accepted LC–MS/MS analyses require tedious sample preparation and large blood volume, therefore, a bioanalytical method with a simpler blood-sampling procedure using fewer animals, lower sample volume and no additional sample preparation is desirable. Results: We have developed a method that combines the direct analysis in real time (DART) open-air ambient ionization source and MS/MS to directly analyze dried blood spots (DBS) on glass from low volume whole blood samples without additional sample preparation or manipulation of the spots. Single mouse serial bleeding was performed for sample collection for DART-MS/MS and the results were comparable to the conventional terminal bleeding method for LC–MS/MS. Conclusion: The DART-MS/MS method was applied to DBS sampling for PK/TK studies and also for in vitro screening of absorption, distribution, metabolism and excretion properties. The results from the DART-MS/MS approach correlated well with the LC–MS/MS analyses for comparison.},\n\tnumber = {11},\n\tjournal = {Bioanalysis},\n\tauthor = {Crawford, Elizabeth and Gordon, Justin and Wu, Jing-Tao and Musselman, Brian and Liu, Ray and Yu, Shaoxia},\n\tyear = {2011},\n\tpages = {1217--1226},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Background: Conventional mouse or rat pharmacokinetic/toxicokinetic (PK/TK) studies frequently require sacrifice or use of multiple animals for a full time-course in order to obtain adequate blood volume. Currently accepted LC–MS/MS analyses require tedious sample preparation and large blood volume, therefore, a bioanalytical method with a simpler blood-sampling procedure using fewer animals, lower sample volume and no additional sample preparation is desirable. Results: We have developed a method that combines the direct analysis in real time (DART) open-air ambient ionization source and MS/MS to directly analyze dried blood spots (DBS) on glass from low volume whole blood samples without additional sample preparation or manipulation of the spots. Single mouse serial bleeding was performed for sample collection for DART-MS/MS and the results were comparable to the conventional terminal bleeding method for LC–MS/MS. Conclusion: The DART-MS/MS method was applied to DBS sampling for PK/TK studies and also for in vitro screening of absorption, distribution, metabolism and excretion properties. The results from the DART-MS/MS approach correlated well with the LC–MS/MS analyses for comparison.\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry employing a DART ion source for metabolomic fingerprinting/profiling: a powerful tool for beer origin recognition.\n \n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Metabolomics, 7(4): 500–508. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cajka_ambient_2011,\n\ttitle = {Ambient mass spectrometry employing a {DART} ion source for metabolomic fingerprinting/profiling: a powerful tool for beer origin recognition},\n\tvolume = {7},\n\tissn = {1573-3882},\n\turl = {http://dx.doi.org/10.1007/s11306-010-0266-z},\n\tdoi = {10.1007/s11306-010-0266-z},\n\tabstract = {A metabolomic fingerprinting/profiling generated by ambient mass spectrometry (MS) employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) was employed as a tool for beer origin recognition. In a first step, the DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in beer samples (direct measurement, no sample preparation). In the next step, metabolomic profiles (mass spectra) of a large set of different beer brands (Trappist and non-Trappist specialty beers) were acquired. In the final phase, the experimental data were analyzed using partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) with the aim of distinguishing (i) the beers labeled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. The best prediction ability was obtained for the model that distinguished the group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided ≥95\\% correct classification. The current study showed that DART–TOFMS metabolomic fingerprinting/profiling is a powerful analytical strategy enabling quality monitoring/authenticity assessment to be conducted in real time.},\n\tnumber = {4},\n\tjournal = {Metabolomics},\n\tauthor = {Cajka, Tomas and Riddellova, Katerina and Tomaniova, Monika and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {Beer; Authenticity; Traceability; Direct analysis in real time; Mass spectrometry; Multivariate analysis; Metabolomic fingerprinting/profiling; AccuTOF},\n\tpages = {500--508},\n}\n\n\n\n
\n
\n\n\n
\n A metabolomic fingerprinting/profiling generated by ambient mass spectrometry (MS) employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) was employed as a tool for beer origin recognition. In a first step, the DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in beer samples (direct measurement, no sample preparation). In the next step, metabolomic profiles (mass spectra) of a large set of different beer brands (Trappist and non-Trappist specialty beers) were acquired. In the final phase, the experimental data were analyzed using partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) with the aim of distinguishing (i) the beers labeled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. The best prediction ability was obtained for the model that distinguished the group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided ≥95% correct classification. The current study showed that DART–TOFMS metabolomic fingerprinting/profiling is a powerful analytical strategy enabling quality monitoring/authenticity assessment to be conducted in real time.\n
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\n \n\n \n \n \n \n \n \n Danshen extract does not alter pharmacokinetics of docetaxel and clopidogrel, reflecting its negligible potential in P-glycoprotein- and cytochrome P4503A-mediated herb–drug interactions.\n \n \n \n \n\n\n \n Lee, J. H.; Shin, Y.; Kim, H. J.; Oh, J.; Jang, Y. P.; and Lee, Y.\n\n\n \n\n\n\n International Journal of Pharmaceutics, 410(1-2): 68–74. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DanshenPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{lee_danshen_2011,\n\ttitle = {Danshen extract does not alter pharmacokinetics of docetaxel and clopidogrel, reflecting its negligible potential in {P}-glycoprotein- and cytochrome {P4503A}-mediated herb–drug interactions},\n\tvolume = {410},\n\turl = {http://dx.doi.org/10.1016/j.ijpharm.2011.03.031},\n\tabstract = {Danshen (Salvia miltiorrhiza) contains tanshinones, which inhibit P-glycoprotein (P-gp) and the cytochrome P450 (CYP) system. In the present study, we evaluated the possible pharmacokinetic interactions of Danshen extract with docetaxel and clopidogrel in rats. Docetaxel (5 mg/kg intravenously and 40 mg/kg orally) or clopidogrel (30 mg/kg orally) was administered to rats with or without oral co-administration of Danshen (400 mg/kg). Co-administration of Danshen did not affect the plasma concentration profiles and pharmacokinetic parameters of docetaxel and clopidogrel, whereas cyclosporine A, a P-gp and CYP3A inhibitor, significantly influenced the pharmacokinetics of co-administered docetaxel and clopidogrel. Orally administered Danshen had no substantial effect on the pharmacokinetics of docetaxel and clopidogrel, suggesting the negligible safety concern of Danshen in P-gp- and CYP3A-mediated interactions in vivo.},\n\tnumber = {1-2},\n\tjournal = {International Journal of Pharmaceutics},\n\tauthor = {Lee, Joo Hyun and Shin, Yong-Jun and Kim, Hye Jin and Oh, Ju-Hee and Jang, Young Pyo and Lee, Young-Joo},\n\tyear = {2011},\n\tkeywords = {Danshen; Docetaxel; Clopidogrel; Pharmacokinetic interaction; P-glycoprotein; Cytochrome P450 3A; AccuTOF},\n\tpages = {68--74},\n}\n\n\n\n
\n
\n\n\n
\n Danshen (Salvia miltiorrhiza) contains tanshinones, which inhibit P-glycoprotein (P-gp) and the cytochrome P450 (CYP) system. In the present study, we evaluated the possible pharmacokinetic interactions of Danshen extract with docetaxel and clopidogrel in rats. Docetaxel (5 mg/kg intravenously and 40 mg/kg orally) or clopidogrel (30 mg/kg orally) was administered to rats with or without oral co-administration of Danshen (400 mg/kg). Co-administration of Danshen did not affect the plasma concentration profiles and pharmacokinetic parameters of docetaxel and clopidogrel, whereas cyclosporine A, a P-gp and CYP3A inhibitor, significantly influenced the pharmacokinetics of co-administered docetaxel and clopidogrel. Orally administered Danshen had no substantial effect on the pharmacokinetics of docetaxel and clopidogrel, suggesting the negligible safety concern of Danshen in P-gp- and CYP3A-mediated interactions in vivo.\n
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\n \n\n \n \n \n \n \n Ambient ionization mass spectrometry: A tutorial.\n \n \n \n\n\n \n Huang, M.; Cheng, S.; Cho, Y.; and Shiea, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 702(1): 1–15. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{huang_ambient_2011,\n\ttitle = {Ambient ionization mass spectrometry: {A} tutorial},\n\tvolume = {702},\n\tabstract = {Ambient ionization is a set of mass spectrometric ionization techniques performed under ambient conditions that allows the direct analysis of sample surfaces with little or no sample pretreatment. Using combinations of different types of sample introduction systems and ionization methods, several novel techniques have been developed over the last few years with many applications (e.g., food safety screening; detection of pharmaceuticals and drug abuse; monitoring of environmental pollutants; detection of explosives for antiterrorism and forensics; characterization of biological compounds for proteomics and metabolomics; molecular imaging analysis; and monitoring chemical and biochemical reactions). Electrospray ionization and atmospheric pressure chemical ionization are the two main ionization principles most commonly used in ambient ionization mass spectrometry. This tutorial paper provides a review of the publications related to ambient ionization techniques. We describe and compare the underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques.},\n\tnumber = {1},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Huang, Min-Zong and Cheng, Sy-Chi and Cho, Yi-Tzu and Shiea, Jentaie},\n\tyear = {2011},\n\tkeywords = {review; Ambient; Desorption/ionization; Two-step ionization; Electrospray ionization; Atmospheric pressure chemical ionization},\n\tpages = {1--15},\n}\n\n\n\n
\n
\n\n\n
\n Ambient ionization is a set of mass spectrometric ionization techniques performed under ambient conditions that allows the direct analysis of sample surfaces with little or no sample pretreatment. Using combinations of different types of sample introduction systems and ionization methods, several novel techniques have been developed over the last few years with many applications (e.g., food safety screening; detection of pharmaceuticals and drug abuse; monitoring of environmental pollutants; detection of explosives for antiterrorism and forensics; characterization of biological compounds for proteomics and metabolomics; molecular imaging analysis; and monitoring chemical and biochemical reactions). Electrospray ionization and atmospheric pressure chemical ionization are the two main ionization principles most commonly used in ambient ionization mass spectrometry. This tutorial paper provides a review of the publications related to ambient ionization techniques. We describe and compare the underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques.\n
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\n \n\n \n \n \n \n \n \n Precursors and Formation of Pyrithione and Other Pyridyl-Containing Sulfur Compounds in Drumstick Onion, Allium stipitatum.\n \n \n \n \n\n\n \n Kubec, R.; Krejčová, P.; Šimek, P.; Václavík, L.; Hajšlová, J.; and Schraml, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(10): 5763–5770. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PrecursorsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kubec_precursors_2011,\n\ttitle = {Precursors and {Formation} of {Pyrithione} and {Other} {Pyridyl}-{Containing} {Sulfur} {Compounds} in {Drumstick} {Onion}, {Allium} stipitatum},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf200704n},\n\tdoi = {10.1021/jf200704n},\n\tabstract = {Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.\nTwo novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.},\n\tnumber = {10},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Kubec, Roman and Krejčová, Petra and Šimek, Petr and Václavík, Lukáš and Hajšlová, Jana and Schraml, Jan},\n\tyear = {2011},\n\tkeywords = {Allium stipitatum; S-(2-pyridyl)cysteine N-oxide; marasmin; sulfenic acid; DART-MS; pyrithione; AccuTOF},\n\tpages = {5763--5770},\n}\n\n\n\n
\n
\n\n\n
\n Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product. Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.\n
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\n \n\n \n \n \n \n \n \n Rapid screening for synthetic antidiabetic drug adulteration in herbal dietary supplements using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Zhou, Z.; Zhang, J.; Zhang, W.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analyst, 136(12): 2613–2618. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhou_rapid_2011,\n\ttitle = {Rapid screening for synthetic antidiabetic drug adulteration in herbal dietary supplements using direct analysis in real time mass spectrometry},\n\tvolume = {136},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C0AN01047B},\n\tabstract = {Adulteration of herbal supplements with synthetic drugs is illegal. A rapid and reliable method which utilizes direct analysis in real time mass spectrometry (DART-MS) was developed for the identification of seven synthetic antidiabetic drugs used as adulterants in herbal dietary supplements. The supplement sample was simply extracted with methanol/water by manually shaking several times and directly analyzed using DART-MS. The presence of synthetic drug adulterants was confirmed through the accurate m/z values and MS/MS data obtained via quadruple time of flight mass spectrometry (QTOF MS). Parameters for the DART source were systematically optimized, and the limits of detection (LODs) in herbal supplement matrices were measured. This method was successfully applied to examine five commercial herbal dietary supplements, and two of them proved to be adulterated with metformin without labeling.},\n\tnumber = {12},\n\tjournal = {Analyst},\n\tauthor = {Zhou, Zhigui and Zhang, Jialing and Zhang, Wei and Bai, Yu and Liu, Huwei},\n\tyear = {2011},\n\tpages = {2613--2618},\n}\n\n\n\n
\n
\n\n\n
\n Adulteration of herbal supplements with synthetic drugs is illegal. A rapid and reliable method which utilizes direct analysis in real time mass spectrometry (DART-MS) was developed for the identification of seven synthetic antidiabetic drugs used as adulterants in herbal dietary supplements. The supplement sample was simply extracted with methanol/water by manually shaking several times and directly analyzed using DART-MS. The presence of synthetic drug adulterants was confirmed through the accurate m/z values and MS/MS data obtained via quadruple time of flight mass spectrometry (QTOF MS). Parameters for the DART source were systematically optimized, and the limits of detection (LODs) in herbal supplement matrices were measured. This method was successfully applied to examine five commercial herbal dietary supplements, and two of them proved to be adulterated with metformin without labeling.\n
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\n \n\n \n \n \n \n \n Simple and Rapid Screening for Methamphetamine and 3,4-Methylene- dioxymethamphetamine (MDMA) and Their Metabolites in Urine Using Direct Analysis in Real Time (DART)-TOFMS.\n \n \n \n\n\n \n Kawamura, M.; Kikura-Hanajiri, R.; and Goda, Y.\n\n\n \n\n\n\n Yakugaku Zasshi, 131(5): 827–833. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{kawamura_simple_2011,\n\ttitle = {Simple and {Rapid} {Screening} for {Methamphetamine} and 3,4-{Methylene}- dioxymethamphetamine ({MDMA}) and {Their} {Metabolites} in {Urine} {Using} {Direct} {Analysis} in {Real} {Time} ({DART})-{TOFMS}},\n\tvolume = {131},\n\tdoi = {10.1248/yakushi.131.827},\n\tabstract = {An ionization technique, direct analysis in real time (DART) has recently been developed for the ambient ionization of a variety samples. The DART coupled with time-of-flight mass spectrometry (TOFMS) would be useful as a simple and rapid screening for the targeted compounds in various samples, because it provides the molecular information of these compounds without time-consuming extraction. In this study, we investigated rapid screening methods of illicit drugs and their metabolites, such as methamphetamine (MA), 3,4-methylenedioxymethamphetamine (MDMA), amphetamine (AP) and 3,4-methylenedioxyamphetamine (MDA) in human urine using DART-TOFMS. As serious matrix effects caused by urea in urine samples and ionizations of the targeted compounds were greatly suppressed in the DART-TOFMS analyses, simple pretreatment methods to remove the urea from the samples were investigated. When a pipette tip-type solid-phase extraction with a dichloromethane and isopropanol mixed solution as an eluent was used for the pretreatment, the limits of detection (LODs) of 4 compounds added to control urine samples were 0.25 μg/ml. On the other hand, the LODs of these compounds were 0.5 μg/ml by a liquid-liquid extraction using a dichloromethane and hexane mixed solution. In both extractions, the recoveries of 4 compounds from urine samples were over 70\\% and these extraction methods showed good linearity in the range of 0.5-5 μg/ml by GC-MS analyses. In conclusion, our proposed method using DART-TOFMS could simultaneously detect MA, MDMA and their metabolites in urine at 0.5 μg/ml without time-consuming pretreatment steps. Therefore it would be useful for screening drugs in urine with the molecular information.},\n\tnumber = {5},\n\tjournal = {Yakugaku Zasshi},\n\tauthor = {Kawamura, M. and Kikura-Hanajiri, R. and Goda, Y.},\n\tyear = {2011},\n\tkeywords = {direct analysis in real time; methamphetamine; 3,4-methylenedioxymethamphetamine; urine; time-of-flight mass spectrometry; AccuTOF},\n\tpages = {827--833},\n}\n\n\n\n
\n
\n\n\n
\n An ionization technique, direct analysis in real time (DART) has recently been developed for the ambient ionization of a variety samples. The DART coupled with time-of-flight mass spectrometry (TOFMS) would be useful as a simple and rapid screening for the targeted compounds in various samples, because it provides the molecular information of these compounds without time-consuming extraction. In this study, we investigated rapid screening methods of illicit drugs and their metabolites, such as methamphetamine (MA), 3,4-methylenedioxymethamphetamine (MDMA), amphetamine (AP) and 3,4-methylenedioxyamphetamine (MDA) in human urine using DART-TOFMS. As serious matrix effects caused by urea in urine samples and ionizations of the targeted compounds were greatly suppressed in the DART-TOFMS analyses, simple pretreatment methods to remove the urea from the samples were investigated. When a pipette tip-type solid-phase extraction with a dichloromethane and isopropanol mixed solution as an eluent was used for the pretreatment, the limits of detection (LODs) of 4 compounds added to control urine samples were 0.25 μg/ml. On the other hand, the LODs of these compounds were 0.5 μg/ml by a liquid-liquid extraction using a dichloromethane and hexane mixed solution. In both extractions, the recoveries of 4 compounds from urine samples were over 70% and these extraction methods showed good linearity in the range of 0.5-5 μg/ml by GC-MS analyses. In conclusion, our proposed method using DART-TOFMS could simultaneously detect MA, MDMA and their metabolites in urine at 0.5 μg/ml without time-consuming pretreatment steps. Therefore it would be useful for screening drugs in urine with the molecular information.\n
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\n \n\n \n \n \n \n \n \n Versatile Method for the Detection of Covalently Bound Substrates on Solid Supports by DART Mass Spectrometry.\n \n \n \n \n\n\n \n Sanchez, L. M.; Curtis, M. E.; Bracamonte, B. E.; Kurita, K. L.; Navarro, G.; Sparkman, O. D.; and Linington, R. G.\n\n\n \n\n\n\n Organic Letters, 13(15): 3770–3773. June 2011.\n \n\n\n\n
\n\n\n\n \n \n \"VersatilePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sanchez_versatile_2011,\n\ttitle = {Versatile {Method} for the {Detection} of {Covalently} {Bound} {Substrates} on {Solid} {Supports} by {DART} {Mass} {Spectrometry}},\n\tvolume = {13},\n\tissn = {1523-7060},\n\turl = {http://dx.doi.org/10.1021/ol201404v},\n\tdoi = {10.1021/ol201404v},\n\tabstract = {Analysis of substrates directly on solid phase resins without the need for separate cleavage conditions remains an outstanding challenge in the field of solid phase synthesis. We now present the first example of simultaneous cleavage and mass spectrometric analysis of peptides from solid supports using direct analysis in real time (DART) mass spectrometry. We have shown that this method is compatible with a diverse array of solid phase resins and is suitable for analysis of both peptides and organic substrates.},\n\tnumber = {15},\n\turldate = {2013-06-05},\n\tjournal = {Organic Letters},\n\tauthor = {Sanchez, Laura M. and Curtis, Matthew E. and Bracamonte, Bianca E. and Kurita, Kenji L. and Navarro, Gabriel and Sparkman, O. David and Linington, Roger G.},\n\tmonth = jun,\n\tyear = {2011},\n\tpages = {3770--3773},\n}\n\n\n\n
\n
\n\n\n
\n Analysis of substrates directly on solid phase resins without the need for separate cleavage conditions remains an outstanding challenge in the field of solid phase synthesis. We now present the first example of simultaneous cleavage and mass spectrometric analysis of peptides from solid supports using direct analysis in real time (DART) mass spectrometry. We have shown that this method is compatible with a diverse array of solid phase resins and is suitable for analysis of both peptides and organic substrates.\n
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\n \n\n \n \n \n \n \n \n Allium Discoloration: The Precursor and Formation of the Red Pigment in Giant Onion (Allium giganteum Regel) and Some Other Subgenus Melanocrommyum Species.\n \n \n \n \n\n\n \n Kučerová, P.; Kubec, R.; Šimek, P.; Václavík, L.; and Schraml, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(5): 1821–1828. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AlliumPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kucerova_allium_2011,\n\ttitle = {Allium {Discoloration}: {The} {Precursor} and {Formation} of the {Red} {Pigment} in {Giant} {Onion} ({Allium} giganteum {Regel}) and {Some} {Other} {Subgenus} {Melanocrommyum} {Species}},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf104195k},\n\tdoi = {10.1021/jf104195k},\n\tabstract = {The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).\nThe precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).},\n\tnumber = {5},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Kučerová, Petra and Kubec, Roman and Šimek, Petr and Václavík, Lukáš and Schraml, Jan},\n\tyear = {2011},\n\tkeywords = {S-(2-pyrrolyl)cysteine S-oxide; S-(3-pyrrolyl)cysteine S-oxide; giant onion; Allium giganteum; Melanocrommyum; discoloration; thiosulfinate; pigment; LC−NMR; DART-MS; sulfenic acid; non-protein amino acid; AccuTOF},\n\tpages = {1821--1828},\n}\n\n\n\n
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\n The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa). The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).\n
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\n \n\n \n \n \n \n \n \n Microwave-Assisted Solution-Phase Synthesis and DART-Mass Spectrometric Monitoring of a Combinatorial Library of Indolin-2,3-dione Schiff Bases with Potential Antimycobacterial Activity.\n \n \n \n \n\n\n \n Aboul-Fadl, T.; Abdel-Aziz, H. A; Kadi, A.; Ahmad, P.; Elsaman, T.; Attwa, M. W; and Darwish, I. A\n\n\n \n\n\n\n Molecules, 16(6): 5194–5206. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"Microwave-AssistedPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{aboul-fadl_microwave-assisted_2011,\n\ttitle = {Microwave-{Assisted} {Solution}-{Phase} {Synthesis} and {DART}-{Mass} {Spectrometric} {Monitoring} of a {Combinatorial} {Library} of {Indolin}-2,3-dione {Schiff} {Bases} with {Potential} {Antimycobacterial} {Activity}},\n\tvolume = {16},\n\turl = {http://www.mdpi.com/1420-3049/16/6/5194/},\n\tabstract = {A combinatorial library composed of eleven hydrazides A-K and eleven indolin-1,2-dione derivatives 1-11 has been designed to formally generate sublibraries of 22 mixtures, M1-M22 comprising of 121 Schiff bases, A-K(1-11). The designed library has been synthesized by the solution-phase method and microwave-assisted synthetic techniques. The formation of individual compounds of each mixture was confirmed by Direct Analysis in Real Time (DART) as ionization technique connected to an Ion Trap as a mass detector. The synthesized mixtures were evaluated for their antimycobacterial activity against four Mycobacterium strains; M. intercellulari, M. xenopi, M. cheleneoi and M. smegmatis. Variable antimycobacterial activity was revealed with the investigated mixtures and maximum activity was shown by M8, M10, M11, and M15 with MIC values of 1.5, 3.1, 6.2 and 0.09 μg/mL, respectively. Application of the indexed method of analysis on these active mixtures revealed that compounds D8, D10 and D11 may contribute to the activity of the tested mixtures.},\n\tnumber = {6},\n\tjournal = {Molecules},\n\tauthor = {Aboul-Fadl, Tarek and Abdel-Aziz, Hatem A and Kadi, Adnan and Ahmad, Pervez and Elsaman, Tilal and Attwa, Mohamed W and Darwish, Ibrahim A},\n\tyear = {2011},\n\tpages = {5194--5206},\n}\n\n\n\n
\n
\n\n\n
\n A combinatorial library composed of eleven hydrazides A-K and eleven indolin-1,2-dione derivatives 1-11 has been designed to formally generate sublibraries of 22 mixtures, M1-M22 comprising of 121 Schiff bases, A-K(1-11). The designed library has been synthesized by the solution-phase method and microwave-assisted synthetic techniques. The formation of individual compounds of each mixture was confirmed by Direct Analysis in Real Time (DART) as ionization technique connected to an Ion Trap as a mass detector. The synthesized mixtures were evaluated for their antimycobacterial activity against four Mycobacterium strains; M. intercellulari, M. xenopi, M. cheleneoi and M. smegmatis. Variable antimycobacterial activity was revealed with the investigated mixtures and maximum activity was shown by M8, M10, M11, and M15 with MIC values of 1.5, 3.1, 6.2 and 0.09 μg/mL, respectively. Application of the indexed method of analysis on these active mixtures revealed that compounds D8, D10 and D11 may contribute to the activity of the tested mixtures.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry and its applications in chemical analysis.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Morlock, G. E.; and Revelsky, I. A.\n\n\n \n\n\n\n Russian Chemical Reviews, 80(3): 235. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_dart_2011,\n\ttitle = {{DART} mass spectrometry and its applications in chemical analysis},\n\tvolume = {80},\n\turl = {http://stacks.iop.org/0036-021X/80/i=3/a=R03},\n\tabstract = {Published data on the fundamental and applied aspects of DART mass spectrometry are surveyed. The DART ionization principles and the key parameters affecting the analytical characteristics of the method and the mass spectra of the determined compounds are considered. The advantages and drawbacks of DART mass spectrometry are discussed and the existing and prospective applications are outlined.},\n\tnumber = {3},\n\tjournal = {Russian Chemical Reviews},\n\tauthor = {Chernetsova, Elena S. and Morlock, G. E. and Revelsky, Igor A.},\n\tyear = {2011},\n\tkeywords = {review},\n\tpages = {235},\n}\n\n\n\n
\n
\n\n\n
\n Published data on the fundamental and applied aspects of DART mass spectrometry are surveyed. The DART ionization principles and the key parameters affecting the analytical characteristics of the method and the mass spectra of the determined compounds are considered. The advantages and drawbacks of DART mass spectrometry are discussed and the existing and prospective applications are outlined.\n
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\n \n\n \n \n \n \n \n \n A rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by direct analysis in real-time mass spectrometry.\n \n \n \n \n\n\n \n Kim, S. W.; Kim, H. J.; Kim, J. H.; Kwon, Y. K.; Ahn, M. S.; Jang, Y. P.; and Liu, J. R\n\n\n \n\n\n\n Plant Methods, 7(1): 1–10. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_rapid_2011,\n\ttitle = {A rapid, simple method for the genetic discrimination of intact {Arabidopsis} thaliana mutant seeds using metabolic profiling by direct analysis in real-time mass spectrometry},\n\tvolume = {7},\n\tissn = {1746-4811},\n\turl = {http://www.plantmethods.com/content/7/1/14},\n\tdoi = {10.1186/1746-4811-7-14},\n\tabstract = {Background  \nEfficient high throughput screening systems of useful mutants are prerequisite for study of plant functional genomics and lots of application fields. Advance in such screening tools, thanks to the development of analytic instruments. Direct analysis in real-time (DART)-mass spectrometry (MS) by ionization of complex materials at atmospheric pressure is a rapid, simple, high-resolution analytical technique. Here we describe a rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by DART-MS.\n\nResults  \nTo determine whether this DART-MS combined by multivariate analysis can perform genetic discrimination based on global metabolic profiling, intact Arabidopsis thaliana mutant seeds were subjected to DART-MS without any sample preparation. Partial least squares-discriminant analysis (PLS-DA) of DART-MS spectral data from intact seeds classified 14 different lines of seeds into two distinct groups: Columbia (Col-0) and Landsberg erecta (Ler) ecotype backgrounds. A hierarchical dendrogram based on partial least squares-discriminant analysis (PLS-DA) subdivided the Col-0 ecotype into two groups: mutant lines harboring defects in the phenylpropanoid biosynthetic pathway and mutants without these defects. These results indicated that metabolic profiling with DART-MS could discriminate intact Arabidopsis seeds at least ecotype level and metabolic pathway level within same ecotype.\n\nConclusion  \nThe described DART-MS combined by multivariate analysis allows for rapid screening and metabolic characterization of lots of Arabidopsis mutant seeds without complex metabolic preparation steps. Moreover, potential novel metabolic markers can be detected and used to clarify the genetic relationship between Arabidopsis cultivars. Furthermore this technique can be applied to predict the novel gene function of metabolic mutants regardless of morphological phenotypes.},\n\tnumber = {1},\n\tjournal = {Plant Methods},\n\tauthor = {Kim, Suk Weon and Kim, Hye Jin and Kim, Jong Hyun and Kwon, Yong Kook and Ahn, Myung Suk and Jang, Young Pyo and Liu, Jang R},\n\tyear = {2011},\n\tkeywords = {Arabidopsis thaliana; Direct analysis in real-time mass spectrometry (DART-MS); partial least squares-discriminant analysis (PLS-DA); seed; AccuTOF},\n\tpages = {1--10},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Background Efficient high throughput screening systems of useful mutants are prerequisite for study of plant functional genomics and lots of application fields. Advance in such screening tools, thanks to the development of analytic instruments. Direct analysis in real-time (DART)-mass spectrometry (MS) by ionization of complex materials at atmospheric pressure is a rapid, simple, high-resolution analytical technique. Here we describe a rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by DART-MS. Results To determine whether this DART-MS combined by multivariate analysis can perform genetic discrimination based on global metabolic profiling, intact Arabidopsis thaliana mutant seeds were subjected to DART-MS without any sample preparation. Partial least squares-discriminant analysis (PLS-DA) of DART-MS spectral data from intact seeds classified 14 different lines of seeds into two distinct groups: Columbia (Col-0) and Landsberg erecta (Ler) ecotype backgrounds. A hierarchical dendrogram based on partial least squares-discriminant analysis (PLS-DA) subdivided the Col-0 ecotype into two groups: mutant lines harboring defects in the phenylpropanoid biosynthetic pathway and mutants without these defects. These results indicated that metabolic profiling with DART-MS could discriminate intact Arabidopsis seeds at least ecotype level and metabolic pathway level within same ecotype. Conclusion The described DART-MS combined by multivariate analysis allows for rapid screening and metabolic characterization of lots of Arabidopsis mutant seeds without complex metabolic preparation steps. Moreover, potential novel metabolic markers can be detected and used to clarify the genetic relationship between Arabidopsis cultivars. Furthermore this technique can be applied to predict the novel gene function of metabolic mutants regardless of morphological phenotypes.\n
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\n \n\n \n \n \n \n \n \n Rapid identification and absence of drug tests for AG-013736 in 1 mg Axitinib tablets by ion mobility spectrometry and DART™ mass spectrometry.\n \n \n \n \n\n\n \n Likar, M. D.; Cheng, G.; Mahajan, N.; and Zhang, Z.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 55(3): 569–573. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{likar_rapid_2011,\n\ttitle = {Rapid identification and absence of drug tests for {AG}-013736 in 1 mg {Axitinib} tablets by ion mobility spectrometry and {DART}™ mass spectrometry},\n\tvolume = {55},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708511001099},\n\tdoi = {10.1016/j.jpba.2011.02.021},\n\tabstract = {Axitinib (AG-013736) is a potent investigational drug that has antitumor activity in patients with metastatic renal cell carcinoma and other types of cancers. In this study, ion mobility spectrometry and “direct analysis in real time” (DART™) mass spectrometry were used to rapidly identify AG-013736 in drug substance samples and 1\\&\\#xa0;mg Axitinib tablets. The plasmagrams of the sample solutions exhibited a major peak with a reduced ion mobility that was within ±0.0002\\&\\#xa0;cm2\\&\\#xa0;V−1\\&\\#xa0;s−1 of that for AG-013736 in an external reference standard solution. The DART ionization source was coupled with both a time-of-flight mass spectrometer and a lower-resolution ion trap mass spectrometer. Samples were analyzed by this technique in as little as 5\\&\\#xa0;s with minimal to no sample preparation required. The isotopic masses of the protonated dimer ions of AG-013736 were used to identify AG-013736 in the active tablet. Both techniques were also used to develop low-level limit tests for rapidly verifying the presence or absence of AG-013736 in blinded clinical supplies of active and matching placebo tablets of Axitinib.},\n\tnumber = {3},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Likar, Michael D. and Cheng, Guilong and Mahajan, Nidhi and Zhang, Zhongli},\n\tyear = {2011},\n\tkeywords = {Axitinib, Direct analysis in real time, Ion mobility spectrometry, Ion mobility spectrometry; Direct analysis in real time; Mass spectrometry; Axitinib; AccuTOF, mass spectrometry},\n\tpages = {569--573},\n}\n\n\n\n
\n
\n\n\n
\n Axitinib (AG-013736) is a potent investigational drug that has antitumor activity in patients with metastatic renal cell carcinoma and other types of cancers. In this study, ion mobility spectrometry and “direct analysis in real time” (DART™) mass spectrometry were used to rapidly identify AG-013736 in drug substance samples and 1 mg Axitinib tablets. The plasmagrams of the sample solutions exhibited a major peak with a reduced ion mobility that was within ±0.0002 cm2 V−1 s−1 of that for AG-013736 in an external reference standard solution. The DART ionization source was coupled with both a time-of-flight mass spectrometer and a lower-resolution ion trap mass spectrometer. Samples were analyzed by this technique in as little as 5 s with minimal to no sample preparation required. The isotopic masses of the protonated dimer ions of AG-013736 were used to identify AG-013736 in the active tablet. Both techniques were also used to develop low-level limit tests for rapidly verifying the presence or absence of AG-013736 in blinded clinical supplies of active and matching placebo tablets of Axitinib.\n
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\n \n\n \n \n \n \n \n \n New approach to detecting counterfeit drugs in tablets by DART mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E.; Bochkov, P.; Zatonskii, G.; and Abramovich, R.\n\n\n \n\n\n\n Pharmaceutical Chemistry Journal, 45(5): 306–308. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"NewPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_new_2011,\n\ttitle = {New approach to detecting counterfeit drugs in tablets by {DART} mass spectrometry},\n\tvolume = {45},\n\tissn = {0091-150X},\n\turl = {http://dx.doi.org/10.1007/s11094-011-0622-y},\n\tabstract = {The possibility of using DART mass spectrometry for the identification of active ingredients in tableted drugs has been studied. Analytical results for some drugs such as glycin, nootropyl, anaprilin, mexidol, and biseptol are presented. The benefits and limitations of DART mass spectrometry as applied to fast screening of tableted pharmaceuticals for detecting counterfeits are discussed.},\n\tnumber = {5},\n\tjournal = {Pharmaceutical Chemistry Journal},\n\tauthor = {Chernetsova, E. and Bochkov, P. and Zatonskii, G. and Abramovich, R.},\n\tyear = {2011},\n\tpages = {306--308},\n}\n\n\n\n
\n
\n\n\n
\n The possibility of using DART mass spectrometry for the identification of active ingredients in tableted drugs has been studied. Analytical results for some drugs such as glycin, nootropyl, anaprilin, mexidol, and biseptol are presented. The benefits and limitations of DART mass spectrometry as applied to fast screening of tableted pharmaceuticals for detecting counterfeits are discussed.\n
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\n \n\n \n \n \n \n \n \n Identification and semi-quantitative analysis of parabens and UV filters in cosmetic products by direct-analysis-in-real-time mass spectrometry and gas chromatography with mass spectrometric detection.\n \n \n \n \n\n\n \n Haunschmidt, M.; Buchberger, W.; Klampfl, C. W.; and Hertsens, R.\n\n\n \n\n\n\n Anal. Methods, 3(1): 99–104. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_identification_2011,\n\ttitle = {Identification and semi-quantitative analysis of parabens and {UV} filters in cosmetic products by direct-analysis-in-real-time mass spectrometry and gas chromatography with mass spectrometric detection},\n\tvolume = {3},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C0AY00588F},\n\tabstract = {A method based on direct-analysis-in-real-time mass spectrometry (DART-MS) for the qualitative and semi-quantitative analysis of eight organic UV filters and four parabens in twelve cosmetic products with substantially different formulations (as cream, milk, lotion, oil, lipstick) was developed. All tested substances could be identified unambiguously in the investigated samples without any sample pre-treatment. Direct analysis of cosmetic products allows semi-quantitative determination of parabens. For UV filters no satisfactory results were obtained by direct analysis but all analytes could be quantified by simply dissolving the samples in methanol, addition of an internal standard and subsequent measurement of the solution by DART-MS without further pre-treatment. The results obtained using DART-MS were confirmed by a more established method namely gas chromatography with mass spectrometric detection (GC-MS).},\n\tnumber = {1},\n\tjournal = {Anal. Methods},\n\tauthor = {Haunschmidt, Manuela and Buchberger, Wolfgang and Klampfl, Christian W. and Hertsens, Robert},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {99--104},\n}\n\n\n\n
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\n A method based on direct-analysis-in-real-time mass spectrometry (DART-MS) for the qualitative and semi-quantitative analysis of eight organic UV filters and four parabens in twelve cosmetic products with substantially different formulations (as cream, milk, lotion, oil, lipstick) was developed. All tested substances could be identified unambiguously in the investigated samples without any sample pre-treatment. Direct analysis of cosmetic products allows semi-quantitative determination of parabens. For UV filters no satisfactory results were obtained by direct analysis but all analytes could be quantified by simply dissolving the samples in methanol, addition of an internal standard and subsequent measurement of the solution by DART-MS without further pre-treatment. The results obtained using DART-MS were confirmed by a more established method namely gas chromatography with mass spectrometric detection (GC-MS).\n
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\n \n\n \n \n \n \n \n \n Qualitative Analysis of Tackifier Resins in Pressure Sensitive Adhesives Using Direct Analysis in Real Time Time-of-Flight Mass Spectrometry.\n \n \n \n \n\n\n \n Mess, A.; Vietzke, J.; Rapp, C.; and Francke, W.\n\n\n \n\n\n\n Anal. Chem., 83(19): 7323–7330. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"QualitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{mess_qualitative_2011,\n\ttitle = {Qualitative {Analysis} of {Tackifier} {Resins} in {Pressure} {Sensitive} {Adhesives} {Using} {Direct} {Analysis} in {Real} {Time} {Time}-of-{Flight} {Mass} {Spectrometry}},\n\tvolume = {83},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac2011608},\n\tdoi = {10.1021/ac2011608},\n\tabstract = {Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1\\% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.\nTackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1\\% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.},\n\tnumber = {19},\n\tjournal = {Anal. Chem.},\n\tauthor = {Mess, Aylin and Vietzke, Jens-Peter and Rapp, Claudius and Francke, Wittko},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {7323--7330},\n}\n\n\n\n
\n
\n\n\n
\n Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs. Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.\n
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\n \n\n \n \n \n \n \n Utilizing DART Mass Spectrometry to Pinpoint Halogenated Metabolites from a Marine Invertebrate-Derived Fungus.\n \n \n \n\n\n \n Watts, K. R.; Loveridge, S. T.; Tenney, K.; Media, J.; Valeriote, F. A.; and Crews, P.\n\n\n \n\n\n\n Journal of Organic Chemistry, 76(15): 6201–6208. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{watts_utilizing_2011,\n\ttitle = {Utilizing {DART} {Mass} {Spectrometry} to {Pinpoint} {Halogenated} {Metabolites} from a {Marine} {Invertebrate}-{Derived} {Fungus}},\n\tvolume = {76},\n\tabstract = {Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using Direct Analysis in\nReal Time (DART) Mass Spectrometry, these compounds were initially detected from spores of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogs, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.},\n\tnumber = {15},\n\tjournal = {Journal of Organic Chemistry},\n\tauthor = {Watts, Katharine R. and Loveridge, Steven T. and Tenney, Karen and Media, Joseph and Valeriote, Frederick A. and Crews, Phillip},\n\tyear = {2011},\n\tpages = {6201--6208},\n}\n\n\n\n
\n
\n\n\n
\n Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using Direct Analysis in Real Time (DART) Mass Spectrometry, these compounds were initially detected from spores of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogs, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.\n
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\n \n\n \n \n \n \n \n \n High-performance liquid chromatography coupled to direct analysis in real time mass spectrometry: Investigations on gradient elution and influence of complex matrices on signal intensities.\n \n \n \n \n\n\n \n Beißmann, S.; Buchberger, W.; Hertsens, R.; and Klampfl, C. W.\n\n\n \n\n\n\n Journal of Chromatography A, 1218(31): 5180–5186. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"High-performancePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{beismann_high-performance_2011,\n\ttitle = {High-performance liquid chromatography coupled to direct analysis in real time mass spectrometry: {Investigations} on gradient elution and influence of complex matrices on signal intensities},\n\tvolume = {1218},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967311007692},\n\tdoi = {10.1016/j.chroma.2011.05.092},\n\tnumber = {31},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Beißmann, Susanne and Buchberger, Wolfgang and Hertsens, Robert and Klampfl, Christian W.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time, HPLC, Hyphenated methods},\n\tpages = {5180--5186},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n \n\n \n \n \n \n \n \n Authentication of Animal Fats Using Direct Analysis in Real Time (DART) Ionization−Mass Spectrometry and Chemometric Tools.\n \n \n \n \n\n\n \n Vaclavik, L.; Hrbek, V.; Cajka, T.; Rohlik, B.; Pipek, P.; and Hajslova, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(11): 5919–5926. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AuthenticationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_authentication_2011,\n\ttitle = {Authentication of {Animal} {Fats} {Using} {Direct} {Analysis} in {Real} {Time} ({DART}) {Ionization}−{Mass} {Spectrometry} and {Chemometric} {Tools}},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf200734x},\n\tdoi = {10.1021/jf200734x},\n\tabstract = {A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10\\% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10\\% pork added to beef and vice versa was possible.\nA combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10\\% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10\\% pork added to beef and vice versa was possible.},\n\tnumber = {11},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Vaclavik, Lukas and Hrbek, Vojtech and Cajka, Tomas and Rohlik, Bo-Anne and Pipek, Petr and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {animal fat; meat; adulteration; direct analysis in real time; mass spectrometry; multivariate analysis; AccuTOF},\n\tpages = {5919--5926},\n}\n\n\n\n
\n
\n\n\n
\n A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10% pork added to beef and vice versa was possible. A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10% pork added to beef and vice versa was possible.\n
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\n \n\n \n \n \n \n \n \n Versatile Method for the Detection of Covalently Bound Substrates on Solid Supports by DART Mass Spectrometry.\n \n \n \n \n\n\n \n Sanchez, L. M.; Curtis, M. E.; Bracamonte, B. E.; Kurita, K. L.; Navarro, G.; Sparkman, O. D.; and Linington, R. G.\n\n\n \n\n\n\n Organic Letters, 13(15): 3770–3773. June 2011.\n \n\n\n\n
\n\n\n\n \n \n \"VersatilePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sanchez_versatile_2011,\n\ttitle = {Versatile {Method} for the {Detection} of {Covalently} {Bound} {Substrates} on {Solid} {Supports} by {DART} {Mass} {Spectrometry}},\n\tvolume = {13},\n\tissn = {1523-7060},\n\turl = {http://dx.doi.org/10.1021/ol201404v},\n\tdoi = {10.1021/ol201404v},\n\tabstract = {Analysis of substrates directly on solid phase resins without the need for separate cleavage conditions remains an outstanding challenge in the field of solid phase synthesis. We now present the first example of simultaneous cleavage and mass spectrometric analysis of peptides from solid supports using direct analysis in real time (DART) mass spectrometry. We have shown that this method is compatible with a diverse array of solid phase resins and is suitable for analysis of both peptides and organic substrates.},\n\tnumber = {15},\n\turldate = {2013-06-05},\n\tjournal = {Organic Letters},\n\tauthor = {Sanchez, Laura M. and Curtis, Matthew E. and Bracamonte, Bianca E. and Kurita, Kenji L. and Navarro, Gabriel and Sparkman, O. David and Linington, Roger G.},\n\tmonth = jun,\n\tyear = {2011},\n\tpages = {3770--3773},\n}\n\n\n\n
\n
\n\n\n
\n Analysis of substrates directly on solid phase resins without the need for separate cleavage conditions remains an outstanding challenge in the field of solid phase synthesis. We now present the first example of simultaneous cleavage and mass spectrometric analysis of peptides from solid supports using direct analysis in real time (DART) mass spectrometry. We have shown that this method is compatible with a diverse array of solid phase resins and is suitable for analysis of both peptides and organic substrates.\n
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\n \n\n \n \n \n \n \n In-situ and Rapid Identification of Tea by Diect Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Zhang, J.; Zhang, W.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Chinese Journal of Chromatography, 29(7): 681–686. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhang_-situ_2011,\n\ttitle = {In-situ and {Rapid} {Identification} of {Tea} by {Diect} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {29},\n\tabstract = {By applying an ambient mass spectrometric method-direct analysis in real time mass spectrometry (DART MS), a method was developed for rapid identification of the principal constituents in different kinds of tea. The identification of different kinds of tea was also achieved by characteristic mass spectrometric signals. Under atmospheric pressure, DART MS method does not require any sample preparation, greatly reduces the analysis time, realizes the in situ, rapid, accurate, and high-throughput analysis.},\n\tnumber = {7},\n\tjournal = {Chinese Journal of Chromatography},\n\tauthor = {Zhang, J. and Zhang, W. and Zhou, Z. and Bai, Y. and Liu, H.},\n\tyear = {2011},\n\tkeywords = {ion trap; XCT},\n\tpages = {681--686},\n}\n\n\n\n
\n
\n\n\n
\n By applying an ambient mass spectrometric method-direct analysis in real time mass spectrometry (DART MS), a method was developed for rapid identification of the principal constituents in different kinds of tea. The identification of different kinds of tea was also achieved by characteristic mass spectrometric signals. Under atmospheric pressure, DART MS method does not require any sample preparation, greatly reduces the analysis time, realizes the in situ, rapid, accurate, and high-throughput analysis.\n
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\n \n\n \n \n \n \n \n Increasing the rate of sample vaporization in an open air desorption ionization source by using a heated metal screen as a sample holder.\n \n \n \n\n\n \n Krechmer, J.; Tice, J.; Crawford, E.; and Musselman, B.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(17): 2384–2388. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{krechmer_increasing_2011,\n\ttitle = {Increasing the rate of sample vaporization in an open air desorption ionization source by using a heated metal screen as a sample holder},\n\tvolume = {25},\n\tdoi = {10.1002/rcm.5133},\n\tabstract = {Rapid vaporization of sample into the ionizing gas exiting a direct analysis in real time (DARTW) source has been enabled by directing a high electrical current through a metal wire screen to which sample has been applied. This direct heating of the screen enables rapid vaporization of sample as the wire temperature rises from room temperature to greater than 400C in less than 20s. Positioning the screen between the DARTsource and atmospheric pressure inlet of the mass spectrometer ensures that the ionizing gas is in close proximity to the sample molecules, resulting in efficient ionization while significantly reducing the time required for mass spectrometric analysis. The capability to modulate the electrical current flow through the wires facilitates either rapid desorption for the determination of single component samples or slower desorption where analysis of mixtures might be desired. The technology also enables deployment of strategies for the determination of chemicals present as powders that might otherwise require dissolution prior to analysis. Results from the use of this thermally assisted DART (‘TA-DART’) system for the analysis of pure compounds, simple mixtures, solids and low vapor pressure samples are presented.},\n\tnumber = {17},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Krechmer, Jordan and Tice, Joseph and Crawford, Elizabeth and Musselman, Brian},\n\tyear = {2011},\n\tkeywords = {Agilent Quad},\n\tpages = {2384--2388},\n}\n\n\n\n
\n
\n\n\n
\n Rapid vaporization of sample into the ionizing gas exiting a direct analysis in real time (DARTW) source has been enabled by directing a high electrical current through a metal wire screen to which sample has been applied. This direct heating of the screen enables rapid vaporization of sample as the wire temperature rises from room temperature to greater than 400C in less than 20s. Positioning the screen between the DARTsource and atmospheric pressure inlet of the mass spectrometer ensures that the ionizing gas is in close proximity to the sample molecules, resulting in efficient ionization while significantly reducing the time required for mass spectrometric analysis. The capability to modulate the electrical current flow through the wires facilitates either rapid desorption for the determination of single component samples or slower desorption where analysis of mixtures might be desired. The technology also enables deployment of strategies for the determination of chemicals present as powders that might otherwise require dissolution prior to analysis. Results from the use of this thermally assisted DART (‘TA-DART’) system for the analysis of pure compounds, simple mixtures, solids and low vapor pressure samples are presented.\n
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\n \n\n \n \n \n \n \n Structural Elucidation of Direct Analysis in Real Time Ionized Nerve Agent Simulants with Infrared Multiple Photon Dissociation Spectroscopy.\n \n \n \n\n\n \n Rummel, J. L.; Steill, J. D.; Oomens, J.; Contreras, C. S.; Pearson, W. L.; Szczepanski, J.; Powell, D. H.; and Eyler, J. R.\n\n\n \n\n\n\n Analytical Chemistry, 83(11): 4045–4052. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rummel_structural_2011,\n\ttitle = {Structural {Elucidation} of {Direct} {Analysis} in {Real} {Time} {Ionized} {Nerve} {Agent} {Simulants} with {Infrared} {Multiple} {Photon} {Dissociation} {Spectroscopy}},\n\tvolume = {83},\n\tdoi = {10.1021/ac102973a},\n\tabstract = {Infrared multiple photon dissociation (IRMPD) was used to generate vibrational spectra of ions produced with a direct analysis in real time (DART) ionization source coupled to a 4.7 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The location of protonation on the nerve agent simulants diisopropyl methylphosphonate (DIMP) and dimethyl methylphosphonate (DMMP) was studied while solutions of the compounds were introduced for extended periods of time with a syringe pump. Theoretical vibrational spectra were generated with density functional theory calculations. Visual comparison of experimental mid-IR IRMPD spectra and theoretical spectra could not establish definitively if a single structure or a mixture of conformations was present for the protonated parent of each compound. However, theoretical calculations, near-ir IRMPD spectra, and frequency-to-frequency and statistical comparisons indicated that the protonation site for both DIMP and DMMP was predominantly, if not exclusively, the phosphonyl oxygen instead of one of the oxygen atoms with only single bonds.},\n\tnumber = {11},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Rummel, Julia L. and Steill, Jeffrey D. and Oomens, Jos and Contreras, Cesar S. and Pearson, Wright L. and Szczepanski, Jan and Powell, David H. and Eyler, John R.},\n\tyear = {2011},\n\tkeywords = {DART, FT-ICR, nerve agents},\n\tpages = {4045--4052},\n}\n\n\n\n
\n
\n\n\n
\n Infrared multiple photon dissociation (IRMPD) was used to generate vibrational spectra of ions produced with a direct analysis in real time (DART) ionization source coupled to a 4.7 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The location of protonation on the nerve agent simulants diisopropyl methylphosphonate (DIMP) and dimethyl methylphosphonate (DMMP) was studied while solutions of the compounds were introduced for extended periods of time with a syringe pump. Theoretical vibrational spectra were generated with density functional theory calculations. Visual comparison of experimental mid-IR IRMPD spectra and theoretical spectra could not establish definitively if a single structure or a mixture of conformations was present for the protonated parent of each compound. However, theoretical calculations, near-ir IRMPD spectra, and frequency-to-frequency and statistical comparisons indicated that the protonation site for both DIMP and DMMP was predominantly, if not exclusively, the phosphonyl oxygen instead of one of the oxygen atoms with only single bonds.\n
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\n \n\n \n \n \n \n \n \n Danshen extract does not alter pharmacokinetics of docetaxel and clopidogrel, reflecting its negligible potential in P-glycoprotein- and cytochrome P4503A-mediated herb–drug interactions.\n \n \n \n \n\n\n \n Lee, J. H.; Shin, Y.; Kim, H. J.; Oh, J.; Jang, Y. P.; and Lee, Y.\n\n\n \n\n\n\n International Journal of Pharmaceutics, 410(1-2): 68–74. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DanshenPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{lee_danshen_2011,\n\ttitle = {Danshen extract does not alter pharmacokinetics of docetaxel and clopidogrel, reflecting its negligible potential in {P}-glycoprotein- and cytochrome {P4503A}-mediated herb–drug interactions},\n\tvolume = {410},\n\turl = {http://dx.doi.org/10.1016/j.ijpharm.2011.03.031},\n\tabstract = {Danshen (Salvia miltiorrhiza) contains tanshinones, which inhibit P-glycoprotein (P-gp) and the cytochrome P450 (CYP) system. In the present study, we evaluated the possible pharmacokinetic interactions of Danshen extract with docetaxel and clopidogrel in rats. Docetaxel (5 mg/kg intravenously and 40 mg/kg orally) or clopidogrel (30 mg/kg orally) was administered to rats with or without oral co-administration of Danshen (400 mg/kg). Co-administration of Danshen did not affect the plasma concentration profiles and pharmacokinetic parameters of docetaxel and clopidogrel, whereas cyclosporine A, a P-gp and CYP3A inhibitor, significantly influenced the pharmacokinetics of co-administered docetaxel and clopidogrel. Orally administered Danshen had no substantial effect on the pharmacokinetics of docetaxel and clopidogrel, suggesting the negligible safety concern of Danshen in P-gp- and CYP3A-mediated interactions in vivo.},\n\tnumber = {1-2},\n\tjournal = {International Journal of Pharmaceutics},\n\tauthor = {Lee, Joo Hyun and Shin, Yong-Jun and Kim, Hye Jin and Oh, Ju-Hee and Jang, Young Pyo and Lee, Young-Joo},\n\tyear = {2011},\n\tkeywords = {Danshen; Docetaxel; Clopidogrel; Pharmacokinetic interaction; P-glycoprotein; Cytochrome P450 3A; AccuTOF},\n\tpages = {68--74},\n}\n\n\n\n
\n
\n\n\n
\n Danshen (Salvia miltiorrhiza) contains tanshinones, which inhibit P-glycoprotein (P-gp) and the cytochrome P450 (CYP) system. In the present study, we evaluated the possible pharmacokinetic interactions of Danshen extract with docetaxel and clopidogrel in rats. Docetaxel (5 mg/kg intravenously and 40 mg/kg orally) or clopidogrel (30 mg/kg orally) was administered to rats with or without oral co-administration of Danshen (400 mg/kg). Co-administration of Danshen did not affect the plasma concentration profiles and pharmacokinetic parameters of docetaxel and clopidogrel, whereas cyclosporine A, a P-gp and CYP3A inhibitor, significantly influenced the pharmacokinetics of co-administered docetaxel and clopidogrel. Orally administered Danshen had no substantial effect on the pharmacokinetics of docetaxel and clopidogrel, suggesting the negligible safety concern of Danshen in P-gp- and CYP3A-mediated interactions in vivo.\n
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\n \n\n \n \n \n \n \n Utilizing DART Mass Spectrometry to Pinpoint Halogenated Metabolites from a Marine Invertebrate-Derived Fungus.\n \n \n \n\n\n \n Watts, K. R.; Loveridge, S. T.; Tenney, K.; Media, J.; Valeriote, F. A.; and Crews, P.\n\n\n \n\n\n\n Journal of Organic Chemistry, 76(15): 6201–6208. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{watts_utilizing_2011,\n\ttitle = {Utilizing {DART} {Mass} {Spectrometry} to {Pinpoint} {Halogenated} {Metabolites} from a {Marine} {Invertebrate}-{Derived} {Fungus}},\n\tvolume = {76},\n\tabstract = {Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using Direct Analysis in\nReal Time (DART) Mass Spectrometry, these compounds were initially detected from spores of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogs, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.},\n\tnumber = {15},\n\tjournal = {Journal of Organic Chemistry},\n\tauthor = {Watts, Katharine R. and Loveridge, Steven T. and Tenney, Karen and Media, Joseph and Valeriote, Frederick A. and Crews, Phillip},\n\tyear = {2011},\n\tpages = {6201--6208},\n}\n\n\n\n
\n
\n\n\n
\n Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using Direct Analysis in Real Time (DART) Mass Spectrometry, these compounds were initially detected from spores of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogs, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.\n
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\n \n\n \n \n \n \n \n Direct Identification of Dyes in Textiles by Direct Analysis in Real Time-Time of Flight Mass Spectrometry.\n \n \n \n\n\n \n Deroo, C. S.; and Armitage, R. A.\n\n\n \n\n\n\n Analytical Chemistry, 83(18): 6924–6928. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{deroo_direct_2011,\n\ttitle = {Direct {Identification} of {Dyes} in {Textiles} by {Direct} {Analysis} in {Real} {Time}-{Time} of {Flight} {Mass} {Spectrometry}},\n\tvolume = {83},\n\tdoi = {10.1021/ac201747s},\n\tabstract = {We present here a method requiring no sample preparation for direct identification of the organic dye compounds quercetin, indigotin, and alizarin in reference materials, in solution, and also in situ in dyed fibers by use of direct analysis in real time (DART) ionization and high-resolution time-of-flight mass spectrometry. Exact mass determinations on small samples of dyed textiles were completed in less than 1 min. With the ability to identify flavonoid, indigoid, and anthraquinone classes of dyes, this technique shows early promise as an additional analytical tool in the challenging analysis of organic dyes in rare cultural heritage materials and possesses the unique advantages of sensitivity and simplicity without the preparatory procedures required by other methods.},\n\tnumber = {18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Deroo, Cathy Selvius and Armitage, Ruth Ann},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {6924--6928},\n}\n\n\n\n
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\n We present here a method requiring no sample preparation for direct identification of the organic dye compounds quercetin, indigotin, and alizarin in reference materials, in solution, and also in situ in dyed fibers by use of direct analysis in real time (DART) ionization and high-resolution time-of-flight mass spectrometry. Exact mass determinations on small samples of dyed textiles were completed in less than 1 min. With the ability to identify flavonoid, indigoid, and anthraquinone classes of dyes, this technique shows early promise as an additional analytical tool in the challenging analysis of organic dyes in rare cultural heritage materials and possesses the unique advantages of sensitivity and simplicity without the preparatory procedures required by other methods.\n
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\n \n\n \n \n \n \n \n \n Thin layer chromatography/mass spectrometry.\n \n \n \n \n\n\n \n Cheng, S.; Huang, M.; and Shiea, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1218(19): 2700–2711. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ThinPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cheng_thin_2011,\n\ttitle = {Thin layer chromatography/mass spectrometry},\n\tvolume = {1218},\n\turl = {http://dx.doi.org/10.1016/j.chroma.2011.01.077},\n\tabstract = {Thin layer chromatography (TLC)—a simple, cost-effective, and easy-to-operate planar chromatographic technique—has been used in general chemistry laboratories for several decades to routinely separate chemical and biochemical compounds. Traditionally, chemical and optical methods are employed to visualize the analyte spots on the TLC plate. Because direct identification and structural characterization of the analytes on the TLC plate through these methods are not possible, there has been long-held interest in the development of interfaces that allow TLC to be combined with mass spectrometry (MS)—one of the most efficient analytical tools for structural elucidation. So far, many different TLC–MS techniques have been reported in the literature; some are commercially available. According to differences in their operational processes, the existing TLC–MS systems can be classified into two categories: (i) indirect mass spectrometric analyses, performed by scraping, extracting, purifying, and concentrating the analyte from the TLC plate and then directing it into the mass spectrometer's ion source for further analysis; (ii) direct mass spectrometric analyses, where the analyte on the TLC plate is characterized directly through mass spectrometry without the need for scraping, extraction, or concentration processes. Conventionally, direct TLC–MS analysis is performed under vacuum, but the development of ambient mass spectrometry has allowed analytes on TLC plates to be characterized under atmospheric pressure. Thus, TLC–MS techniques can also be classified into two other categories according to the working environment of the ion source: vacuum-based TLC–MS or ambient TLC–MS. This review article describes the state of the art of TLC–MS techniques used for indirect and direct characterization of analytes on the surfaces of TLC plates.},\n\tnumber = {19},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Cheng, Sy-Chyi and Huang, Min-Zong and Shiea, Jentaie},\n\tyear = {2011},\n\tkeywords = {Review; TLC–MS; Ambient ionization; Vacuum-based ionization; Desorption/ionization; Direct sampling; Indirect sampling},\n\tpages = {2700--2711},\n}\n\n\n\n
\n
\n\n\n
\n Thin layer chromatography (TLC)—a simple, cost-effective, and easy-to-operate planar chromatographic technique—has been used in general chemistry laboratories for several decades to routinely separate chemical and biochemical compounds. Traditionally, chemical and optical methods are employed to visualize the analyte spots on the TLC plate. Because direct identification and structural characterization of the analytes on the TLC plate through these methods are not possible, there has been long-held interest in the development of interfaces that allow TLC to be combined with mass spectrometry (MS)—one of the most efficient analytical tools for structural elucidation. So far, many different TLC–MS techniques have been reported in the literature; some are commercially available. According to differences in their operational processes, the existing TLC–MS systems can be classified into two categories: (i) indirect mass spectrometric analyses, performed by scraping, extracting, purifying, and concentrating the analyte from the TLC plate and then directing it into the mass spectrometer's ion source for further analysis; (ii) direct mass spectrometric analyses, where the analyte on the TLC plate is characterized directly through mass spectrometry without the need for scraping, extraction, or concentration processes. Conventionally, direct TLC–MS analysis is performed under vacuum, but the development of ambient mass spectrometry has allowed analytes on TLC plates to be characterized under atmospheric pressure. Thus, TLC–MS techniques can also be classified into two other categories according to the working environment of the ion source: vacuum-based TLC–MS or ambient TLC–MS. This review article describes the state of the art of TLC–MS techniques used for indirect and direct characterization of analytes on the surfaces of TLC plates.\n
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\n \n\n \n \n \n \n \n \n A rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by direct analysis in real-time mass spectrometry.\n \n \n \n \n\n\n \n Kim, S. W.; Kim, H. J.; Kim, J. H.; Kwon, Y. K.; Ahn, M. S.; Jang, Y. P.; and Liu, J. R\n\n\n \n\n\n\n Plant Methods, 7(1): 1–10. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_rapid_2011,\n\ttitle = {A rapid, simple method for the genetic discrimination of intact {Arabidopsis} thaliana mutant seeds using metabolic profiling by direct analysis in real-time mass spectrometry},\n\tvolume = {7},\n\tissn = {1746-4811},\n\turl = {http://www.plantmethods.com/content/7/1/14},\n\tdoi = {10.1186/1746-4811-7-14},\n\tabstract = {Background  \nEfficient high throughput screening systems of useful mutants are prerequisite for study of plant functional genomics and lots of application fields. Advance in such screening tools, thanks to the development of analytic instruments. Direct analysis in real-time (DART)-mass spectrometry (MS) by ionization of complex materials at atmospheric pressure is a rapid, simple, high-resolution analytical technique. Here we describe a rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by DART-MS.\n\nResults  \nTo determine whether this DART-MS combined by multivariate analysis can perform genetic discrimination based on global metabolic profiling, intact Arabidopsis thaliana mutant seeds were subjected to DART-MS without any sample preparation. Partial least squares-discriminant analysis (PLS-DA) of DART-MS spectral data from intact seeds classified 14 different lines of seeds into two distinct groups: Columbia (Col-0) and Landsberg erecta (Ler) ecotype backgrounds. A hierarchical dendrogram based on partial least squares-discriminant analysis (PLS-DA) subdivided the Col-0 ecotype into two groups: mutant lines harboring defects in the phenylpropanoid biosynthetic pathway and mutants without these defects. These results indicated that metabolic profiling with DART-MS could discriminate intact Arabidopsis seeds at least ecotype level and metabolic pathway level within same ecotype.\n\nConclusion  \nThe described DART-MS combined by multivariate analysis allows for rapid screening and metabolic characterization of lots of Arabidopsis mutant seeds without complex metabolic preparation steps. Moreover, potential novel metabolic markers can be detected and used to clarify the genetic relationship between Arabidopsis cultivars. Furthermore this technique can be applied to predict the novel gene function of metabolic mutants regardless of morphological phenotypes.},\n\tnumber = {1},\n\tjournal = {Plant Methods},\n\tauthor = {Kim, Suk Weon and Kim, Hye Jin and Kim, Jong Hyun and Kwon, Yong Kook and Ahn, Myung Suk and Jang, Young Pyo and Liu, Jang R},\n\tyear = {2011},\n\tkeywords = {Arabidopsis thaliana; Direct analysis in real-time mass spectrometry (DART-MS); partial least squares-discriminant analysis (PLS-DA); seed; AccuTOF},\n\tpages = {1--10},\n}\n\n\n\n
\n
\n\n\n
\n Background Efficient high throughput screening systems of useful mutants are prerequisite for study of plant functional genomics and lots of application fields. Advance in such screening tools, thanks to the development of analytic instruments. Direct analysis in real-time (DART)-mass spectrometry (MS) by ionization of complex materials at atmospheric pressure is a rapid, simple, high-resolution analytical technique. Here we describe a rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by DART-MS. Results To determine whether this DART-MS combined by multivariate analysis can perform genetic discrimination based on global metabolic profiling, intact Arabidopsis thaliana mutant seeds were subjected to DART-MS without any sample preparation. Partial least squares-discriminant analysis (PLS-DA) of DART-MS spectral data from intact seeds classified 14 different lines of seeds into two distinct groups: Columbia (Col-0) and Landsberg erecta (Ler) ecotype backgrounds. A hierarchical dendrogram based on partial least squares-discriminant analysis (PLS-DA) subdivided the Col-0 ecotype into two groups: mutant lines harboring defects in the phenylpropanoid biosynthetic pathway and mutants without these defects. These results indicated that metabolic profiling with DART-MS could discriminate intact Arabidopsis seeds at least ecotype level and metabolic pathway level within same ecotype. Conclusion The described DART-MS combined by multivariate analysis allows for rapid screening and metabolic characterization of lots of Arabidopsis mutant seeds without complex metabolic preparation steps. Moreover, potential novel metabolic markers can be detected and used to clarify the genetic relationship between Arabidopsis cultivars. Furthermore this technique can be applied to predict the novel gene function of metabolic mutants regardless of morphological phenotypes.\n
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\n \n\n \n \n \n \n \n Comparison of dielectric barrier discharge, atmospheric pressure radiofrequency-driven glow discharge and direct analysis in real time sources for ambient mass spectrometry of acetaminophen.\n \n \n \n\n\n \n Kratzera, J.; Mester, Z.; and Sturgeon, R. E.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 66(8): 594–603. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kratzera_comparison_2011,\n\ttitle = {Comparison of dielectric barrier discharge, atmospheric pressure radiofrequency-driven glow discharge and direct analysis in real time sources for ambient mass spectrometry of acetaminophen},\n\tvolume = {66},\n\tabstract = {Three plasma-based ambient pressure ion sources were investigated; laboratory constructed dielectric barrier and rf glow discharges, as well as a commercial corona discharge (DART source). All were used to desorb and ionize a model analyte, providing sampling techniques for ambient mass spectrometry (MS). Experimental parameters were optimized to achive highest signal for acetaminophen as the analyte. Insight into the mechanisms of analyte desorption and ionization was obtained by means of emission spectrometry and ion current measurements. Desorption and ionization mechanisms for this analyte appear to be identical for all three plasma sources. Emission spectra differ only in the intensities of various lines and bands. Desorption of solid analyte requires transfer of thermal energy from the plasma source to sample surface, in the absence of which complete loss of MS response occurs. For acetaminophen, helium was the best plasma gas, providing 100- to 1000-fold higher analyte response than with argon or nitrogen. The same trend was also evident with background ions (protonated water clusters). MS analyte signal intensity correlates with the ion density (expressed as ion current) in the plasma plume and with emission intensity from excited state species in the plasma. These observations support an ionization process which occurs via proton transfer from protonated water clusters to analyte molecules.},\n\tnumber = {8},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {Kratzera, Jan and Mester, Zoltán and Sturgeon, Ralph E.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time (DART); Dielectric barrier discharge (DBD); Atmospheric pressure rf glow discharge (APGD); Ambient mass spectrometry (AMS); Acetaminophen},\n\tpages = {594--603},\n}\n\n\n\n
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\n\n\n
\n Three plasma-based ambient pressure ion sources were investigated; laboratory constructed dielectric barrier and rf glow discharges, as well as a commercial corona discharge (DART source). All were used to desorb and ionize a model analyte, providing sampling techniques for ambient mass spectrometry (MS). Experimental parameters were optimized to achive highest signal for acetaminophen as the analyte. Insight into the mechanisms of analyte desorption and ionization was obtained by means of emission spectrometry and ion current measurements. Desorption and ionization mechanisms for this analyte appear to be identical for all three plasma sources. Emission spectra differ only in the intensities of various lines and bands. Desorption of solid analyte requires transfer of thermal energy from the plasma source to sample surface, in the absence of which complete loss of MS response occurs. For acetaminophen, helium was the best plasma gas, providing 100- to 1000-fold higher analyte response than with argon or nitrogen. The same trend was also evident with background ions (protonated water clusters). MS analyte signal intensity correlates with the ion density (expressed as ion current) in the plasma plume and with emission intensity from excited state species in the plasma. These observations support an ionization process which occurs via proton transfer from protonated water clusters to analyte molecules.\n
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\n \n\n \n \n \n \n \n Ambient ionization mass spectrometry: A tutorial.\n \n \n \n\n\n \n Huang, M.; Cheng, S.; Cho, Y.; and Shiea, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 702(1): 1–15. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{huang_ambient_2011,\n\ttitle = {Ambient ionization mass spectrometry: {A} tutorial},\n\tvolume = {702},\n\tabstract = {Ambient ionization is a set of mass spectrometric ionization techniques performed under ambient conditions that allows the direct analysis of sample surfaces with little or no sample pretreatment. Using combinations of different types of sample introduction systems and ionization methods, several novel techniques have been developed over the last few years with many applications (e.g., food safety screening; detection of pharmaceuticals and drug abuse; monitoring of environmental pollutants; detection of explosives for antiterrorism and forensics; characterization of biological compounds for proteomics and metabolomics; molecular imaging analysis; and monitoring chemical and biochemical reactions). Electrospray ionization and atmospheric pressure chemical ionization are the two main ionization principles most commonly used in ambient ionization mass spectrometry. This tutorial paper provides a review of the publications related to ambient ionization techniques. We describe and compare the underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques.},\n\tnumber = {1},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Huang, Min-Zong and Cheng, Sy-Chi and Cho, Yi-Tzu and Shiea, Jentaie},\n\tyear = {2011},\n\tkeywords = {review; Ambient; Desorption/ionization; Two-step ionization; Electrospray ionization; Atmospheric pressure chemical ionization},\n\tpages = {1--15},\n}\n\n\n\n
\n
\n\n\n
\n Ambient ionization is a set of mass spectrometric ionization techniques performed under ambient conditions that allows the direct analysis of sample surfaces with little or no sample pretreatment. Using combinations of different types of sample introduction systems and ionization methods, several novel techniques have been developed over the last few years with many applications (e.g., food safety screening; detection of pharmaceuticals and drug abuse; monitoring of environmental pollutants; detection of explosives for antiterrorism and forensics; characterization of biological compounds for proteomics and metabolomics; molecular imaging analysis; and monitoring chemical and biochemical reactions). Electrospray ionization and atmospheric pressure chemical ionization are the two main ionization principles most commonly used in ambient ionization mass spectrometry. This tutorial paper provides a review of the publications related to ambient ionization techniques. We describe and compare the underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques.\n
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\n \n\n \n \n \n \n \n Simple and Rapid Screening for Methamphetamine and 3,4-Methylene- dioxymethamphetamine (MDMA) and Their Metabolites in Urine Using Direct Analysis in Real Time (DART)-TOFMS.\n \n \n \n\n\n \n Kawamura, M.; Kikura-Hanajiri, R.; and Goda, Y.\n\n\n \n\n\n\n Yakugaku Zasshi, 131(5): 827–833. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{kawamura_simple_2011,\n\ttitle = {Simple and {Rapid} {Screening} for {Methamphetamine} and 3,4-{Methylene}- dioxymethamphetamine ({MDMA}) and {Their} {Metabolites} in {Urine} {Using} {Direct} {Analysis} in {Real} {Time} ({DART})-{TOFMS}},\n\tvolume = {131},\n\tdoi = {10.1248/yakushi.131.827},\n\tabstract = {An ionization technique, direct analysis in real time (DART) has recently been developed for the ambient ionization of a variety samples. The DART coupled with time-of-flight mass spectrometry (TOFMS) would be useful as a simple and rapid screening for the targeted compounds in various samples, because it provides the molecular information of these compounds without time-consuming extraction. In this study, we investigated rapid screening methods of illicit drugs and their metabolites, such as methamphetamine (MA), 3,4-methylenedioxymethamphetamine (MDMA), amphetamine (AP) and 3,4-methylenedioxyamphetamine (MDA) in human urine using DART-TOFMS. As serious matrix effects caused by urea in urine samples and ionizations of the targeted compounds were greatly suppressed in the DART-TOFMS analyses, simple pretreatment methods to remove the urea from the samples were investigated. When a pipette tip-type solid-phase extraction with a dichloromethane and isopropanol mixed solution as an eluent was used for the pretreatment, the limits of detection (LODs) of 4 compounds added to control urine samples were 0.25 μg/ml. On the other hand, the LODs of these compounds were 0.5 μg/ml by a liquid-liquid extraction using a dichloromethane and hexane mixed solution. In both extractions, the recoveries of 4 compounds from urine samples were over 70\\% and these extraction methods showed good linearity in the range of 0.5-5 μg/ml by GC-MS analyses. In conclusion, our proposed method using DART-TOFMS could simultaneously detect MA, MDMA and their metabolites in urine at 0.5 μg/ml without time-consuming pretreatment steps. Therefore it would be useful for screening drugs in urine with the molecular information.},\n\tnumber = {5},\n\tjournal = {Yakugaku Zasshi},\n\tauthor = {Kawamura, M. and Kikura-Hanajiri, R. and Goda, Y.},\n\tyear = {2011},\n\tkeywords = {direct analysis in real time; methamphetamine; 3,4-methylenedioxymethamphetamine; urine; time-of-flight mass spectrometry; AccuTOF},\n\tpages = {827--833},\n}\n\n\n\n
\n
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\n An ionization technique, direct analysis in real time (DART) has recently been developed for the ambient ionization of a variety samples. The DART coupled with time-of-flight mass spectrometry (TOFMS) would be useful as a simple and rapid screening for the targeted compounds in various samples, because it provides the molecular information of these compounds without time-consuming extraction. In this study, we investigated rapid screening methods of illicit drugs and their metabolites, such as methamphetamine (MA), 3,4-methylenedioxymethamphetamine (MDMA), amphetamine (AP) and 3,4-methylenedioxyamphetamine (MDA) in human urine using DART-TOFMS. As serious matrix effects caused by urea in urine samples and ionizations of the targeted compounds were greatly suppressed in the DART-TOFMS analyses, simple pretreatment methods to remove the urea from the samples were investigated. When a pipette tip-type solid-phase extraction with a dichloromethane and isopropanol mixed solution as an eluent was used for the pretreatment, the limits of detection (LODs) of 4 compounds added to control urine samples were 0.25 μg/ml. On the other hand, the LODs of these compounds were 0.5 μg/ml by a liquid-liquid extraction using a dichloromethane and hexane mixed solution. In both extractions, the recoveries of 4 compounds from urine samples were over 70% and these extraction methods showed good linearity in the range of 0.5-5 μg/ml by GC-MS analyses. In conclusion, our proposed method using DART-TOFMS could simultaneously detect MA, MDMA and their metabolites in urine at 0.5 μg/ml without time-consuming pretreatment steps. Therefore it would be useful for screening drugs in urine with the molecular information.\n
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\n \n\n \n \n \n \n \n Crushing Garlic and Slicing Onions: Detection of Sulfenic Acids and Other Reactive Organosulfur Intermediates from Garlic and Other Alliums using Direct Analysis in Real-Time Mass Spectrometry (DART-MS).\n \n \n \n\n\n \n Block, E.; Dane, A.; and Cody, R.\n\n\n \n\n\n\n Phosphorus, Sulfur, and Silicon and the Related Elements, 186(5): 1085–1093. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{block_crushing_2011,\n\ttitle = {Crushing {Garlic} and {Slicing} {Onions}: {Detection} of {Sulfenic} {Acids} and {Other} {Reactive} {Organosulfur} {Intermediates} from {Garlic} and {Other} {Alliums} using {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry} ({DART}-{MS})},\n\tvolume = {186},\n\tabstract = {Direct analysis in real-time mass spectrometry (DART-MS) under both positive-ion (PI) and negative-ion (NI) high-resolution (HR) conditions has been used to identify reactive sulfur-containing compounds formed from cutting seven different genus Allium species, garlic, onion, elephant garlic, leek, Chinese chives, and the ornamental species, Allium siculum and A. stipitatum. From cut garlic, PI-DART-MS shows allicin, allyl/methyl and dimethyl thiosulfinates, diallyl trisulfane S-oxide, allyl alcohol, and propene, whereas NI-DART-MS shows 2-propenesulfenic acid, 2-propenesulfinic acid, SO2, and pyruvate. From cut onion, PI-DART-MS shows mainly the lachrymatory factor (LF), along with much lower amounts of thiosulfinates, zwiebelanes, and a bis-sulfine. From cut elephant garlic, both allicin and LF are found, along with thiosulfinates and bis-sulfine. From cut leek, using PI-DART-MS, mixed methyl-1-propenyl-n-propyl thiosulfinates are found, whereas cut Chinese chive shows predominantly methyl with lesser amounts of mixed allyl/methyl thiosufinates. From cut A. siculum, PI-DART-MS shows butanethial S-oxide along with lesser amounts of mixed 1-butenyl/n-butyl/methyl thiosulfinates, while from cut A. stipitatum, N-hydroxy-2-pyridinethione (pyrithone) is seen. PI-DART-MS analysis of all six cut Allium species showed that disulfanes and polysulfanes were absent, which is consistent with these compounds being artifacts from handling and analysis.},\n\tnumber = {5},\n\tjournal = {Phosphorus, Sulfur, and Silicon and the Related Elements},\n\tauthor = {Block, E. and Dane, A.J. and Cody, R.B.},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {1085--1093},\n}\n\n\n\n
\n
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\n Direct analysis in real-time mass spectrometry (DART-MS) under both positive-ion (PI) and negative-ion (NI) high-resolution (HR) conditions has been used to identify reactive sulfur-containing compounds formed from cutting seven different genus Allium species, garlic, onion, elephant garlic, leek, Chinese chives, and the ornamental species, Allium siculum and A. stipitatum. From cut garlic, PI-DART-MS shows allicin, allyl/methyl and dimethyl thiosulfinates, diallyl trisulfane S-oxide, allyl alcohol, and propene, whereas NI-DART-MS shows 2-propenesulfenic acid, 2-propenesulfinic acid, SO2, and pyruvate. From cut onion, PI-DART-MS shows mainly the lachrymatory factor (LF), along with much lower amounts of thiosulfinates, zwiebelanes, and a bis-sulfine. From cut elephant garlic, both allicin and LF are found, along with thiosulfinates and bis-sulfine. From cut leek, using PI-DART-MS, mixed methyl-1-propenyl-n-propyl thiosulfinates are found, whereas cut Chinese chive shows predominantly methyl with lesser amounts of mixed allyl/methyl thiosufinates. From cut A. siculum, PI-DART-MS shows butanethial S-oxide along with lesser amounts of mixed 1-butenyl/n-butyl/methyl thiosulfinates, while from cut A. stipitatum, N-hydroxy-2-pyridinethione (pyrithone) is seen. PI-DART-MS analysis of all six cut Allium species showed that disulfanes and polysulfanes were absent, which is consistent with these compounds being artifacts from handling and analysis.\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry employing a DART ion source for metabolomic fingerprinting/profiling: a powerful tool for beer origin recognition.\n \n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Metabolomics, 7(4): 500–508. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cajka_ambient_2011,\n\ttitle = {Ambient mass spectrometry employing a {DART} ion source for metabolomic fingerprinting/profiling: a powerful tool for beer origin recognition},\n\tvolume = {7},\n\tissn = {1573-3882},\n\turl = {http://dx.doi.org/10.1007/s11306-010-0266-z},\n\tdoi = {10.1007/s11306-010-0266-z},\n\tabstract = {A metabolomic fingerprinting/profiling generated by ambient mass spectrometry (MS) employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) was employed as a tool for beer origin recognition. In a first step, the DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in beer samples (direct measurement, no sample preparation). In the next step, metabolomic profiles (mass spectra) of a large set of different beer brands (Trappist and non-Trappist specialty beers) were acquired. In the final phase, the experimental data were analyzed using partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) with the aim of distinguishing (i) the beers labeled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. The best prediction ability was obtained for the model that distinguished the group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided ≥95\\% correct classification. The current study showed that DART–TOFMS metabolomic fingerprinting/profiling is a powerful analytical strategy enabling quality monitoring/authenticity assessment to be conducted in real time.},\n\tnumber = {4},\n\tjournal = {Metabolomics},\n\tauthor = {Cajka, Tomas and Riddellova, Katerina and Tomaniova, Monika and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {Beer; Authenticity; Traceability; Direct analysis in real time; Mass spectrometry; Multivariate analysis; Metabolomic fingerprinting/profiling; AccuTOF},\n\tpages = {500--508},\n}\n\n\n\n
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\n A metabolomic fingerprinting/profiling generated by ambient mass spectrometry (MS) employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) was employed as a tool for beer origin recognition. In a first step, the DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in beer samples (direct measurement, no sample preparation). In the next step, metabolomic profiles (mass spectra) of a large set of different beer brands (Trappist and non-Trappist specialty beers) were acquired. In the final phase, the experimental data were analyzed using partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) with the aim of distinguishing (i) the beers labeled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. The best prediction ability was obtained for the model that distinguished the group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided ≥95% correct classification. The current study showed that DART–TOFMS metabolomic fingerprinting/profiling is a powerful analytical strategy enabling quality monitoring/authenticity assessment to be conducted in real time.\n
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\n \n\n \n \n \n \n \n Analytical methods for the quantification of volatile aromatic compounds.\n \n \n \n\n\n \n Biniecka, M.; and Caroli, S.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry, 30(11): 1756–1770. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{biniecka_analytical_2011,\n\ttitle = {Analytical methods for the quantification of volatile aromatic compounds},\n\tvolume = {30},\n\tabstract = {The investigation of odorants is not an easy task, which needs to be undertaken in the context of fit-for-purpose quality systems. To date, great attention has been paid to determination of the volatile fractions of odorants, since they are responsible for the attributes of global flavor [i.e. a combination of olfactory (aroma) and gustatory (taste) sensations produced by chemicals]. This kind of determination can be carried out by analytical techniques [e.g., gas chromatography (GC) combined with mass spectrometry and/or olfactometric GC]. Methods complementary to GC analysis are available, allowing assessment of the olfactory impact by an electronic nose (e-nose) or a panel of selected individuals. Also, we consider some innovative analytical techniques to study the effects of odorants in food during consumption.},\n\tnumber = {11},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Biniecka, Małgorzata and Caroli, Sergio},\n\tyear = {2011},\n\tkeywords = {Analytical method; Electronic nose; Food odorant; Gas chromatography; Mass spectrometry; Odorant; Odorant determination; Olfactometric gas chromatography; Volatile aromatic compound},\n\tpages = {1756--1770},\n}\n\n\n\n
\n
\n\n\n
\n The investigation of odorants is not an easy task, which needs to be undertaken in the context of fit-for-purpose quality systems. To date, great attention has been paid to determination of the volatile fractions of odorants, since they are responsible for the attributes of global flavor [i.e. a combination of olfactory (aroma) and gustatory (taste) sensations produced by chemicals]. This kind of determination can be carried out by analytical techniques [e.g., gas chromatography (GC) combined with mass spectrometry and/or olfactometric GC]. Methods complementary to GC analysis are available, allowing assessment of the olfactory impact by an electronic nose (e-nose) or a panel of selected individuals. Also, we consider some innovative analytical techniques to study the effects of odorants in food during consumption.\n
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\n \n\n \n \n \n \n \n \n Some new features of Direct Analysis in Real Time mass spectrometry utilizing the desorption at an angle option.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Revelsky, A. I.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(16): 2275–2282. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SomePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_new_2011,\n\ttitle = {Some new features of {Direct} {Analysis} in {Real} {Time} mass spectrometry utilizing the desorption at an angle option},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5112},\n\tdoi = {10.1002/rcm.5112},\n\tabstract = {The present study is a first step towards the unexplored capabilities of Direct Analysis in Real Time (DART) mass spectrometry (MS) arising from the possibility of the desorption at an angle: scanning analysis of surfaces, including the coupling of thin-layer chromatography (TLC) with DART-MS, and a more sensitive analysis due to the preliminary concentration of analytes dissolved in large volumes of liquids on glass surfaces. In order to select the most favorable conditions for DART-MS analysis, proper positioning of samples is important. Therefore, a simple and cheap technique for the visualization of the impact region of the DART gas stream onto a substrate was developed. A filter paper or TLC plate, previously loaded with the analyte, was immersed in a derivatization solution. On this substrate, owing to the impact of the hot DART gas, reaction of the analyte to a colored product occurred. An improved capability of detection of DART-MS for the analysis of liquids was demonstrated by applying large volumes of model solutions of coumaphos into small glass vessels and drying these solutions prior to DART-MS analysis under ambient conditions. This allowed the introduction of, by up to more than two orders of magnitude, increased quantities of analyte compared with the conventional DART-MS analysis of liquids. Through this improved detectability, the capabilities of DART-MS in trace analysis could be strengthened. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {16},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Revelsky, Alexander I. and Morlock, Gertrud E.},\n\tyear = {2011},\n\tkeywords = {Agilent Quad},\n\tpages = {2275--2282},\n}\n\n\n\n
\n
\n\n\n
\n The present study is a first step towards the unexplored capabilities of Direct Analysis in Real Time (DART) mass spectrometry (MS) arising from the possibility of the desorption at an angle: scanning analysis of surfaces, including the coupling of thin-layer chromatography (TLC) with DART-MS, and a more sensitive analysis due to the preliminary concentration of analytes dissolved in large volumes of liquids on glass surfaces. In order to select the most favorable conditions for DART-MS analysis, proper positioning of samples is important. Therefore, a simple and cheap technique for the visualization of the impact region of the DART gas stream onto a substrate was developed. A filter paper or TLC plate, previously loaded with the analyte, was immersed in a derivatization solution. On this substrate, owing to the impact of the hot DART gas, reaction of the analyte to a colored product occurred. An improved capability of detection of DART-MS for the analysis of liquids was demonstrated by applying large volumes of model solutions of coumaphos into small glass vessels and drying these solutions prior to DART-MS analysis under ambient conditions. This allowed the introduction of, by up to more than two orders of magnitude, increased quantities of analyte compared with the conventional DART-MS analysis of liquids. Through this improved detectability, the capabilities of DART-MS in trace analysis could be strengthened. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Precursors and Formation of Pyrithione and Other Pyridyl-Containing Sulfur Compounds in Drumstick Onion, Allium stipitatum.\n \n \n \n \n\n\n \n Kubec, R.; Krejčová, P.; Šimek, P.; Václavík, L.; Hajšlová, J.; and Schraml, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(10): 5763–5770. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PrecursorsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kubec_precursors_2011,\n\ttitle = {Precursors and {Formation} of {Pyrithione} and {Other} {Pyridyl}-{Containing} {Sulfur} {Compounds} in {Drumstick} {Onion}, {Allium} stipitatum},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf200704n},\n\tdoi = {10.1021/jf200704n},\n\tabstract = {Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.\nTwo novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.},\n\tnumber = {10},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Kubec, Roman and Krejčová, Petra and Šimek, Petr and Václavík, Lukáš and Hajšlová, Jana and Schraml, Jan},\n\tyear = {2011},\n\tkeywords = {Allium stipitatum; S-(2-pyridyl)cysteine N-oxide; marasmin; sulfenic acid; DART-MS; pyrithione; AccuTOF},\n\tpages = {5763--5770},\n}\n\n\n\n
\n
\n\n\n
\n Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product. Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.\n
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\n \n\n \n \n \n \n \n \n Fast identification of phthalic acid esters in poly(vinyl chloride) samples by Direct Analysis In Real Time (DART) tandem mass spectrometry.\n \n \n \n \n\n\n \n Kuki, Á.; Nagy, L.; Zsuga, M.; and Kéki, S.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 303(2–3): 225–228. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"FastPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kuki_fast_2011,\n\ttitle = {Fast identification of phthalic acid esters in poly(vinyl chloride) samples by {Direct} {Analysis} {In} {Real} {Time} ({DART}) tandem mass spectrometry},\n\tvolume = {303},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380611000698},\n\tdoi = {10.1016/j.ijms.2011.02.011},\n\tabstract = {It was found that the collision energy/voltage necessary to obtain 50\\% fragmentation (CV50) was linearly dependent on the molecular weight of phthalic acid esters (PAEs). Based on this observation a fast screening technique for the detection of PAEs in poly vinyl chloride (PVC) samples was developed using Direct Analysis in Real Time (DART) ionization tandem mass spectrometry. Based on this observation an automated data acquisition method, including mass-dependent tuning of the collision energy/voltage in DART-MS/MS, was developed thereby reducing the analysis time.},\n\tnumber = {2–3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Kuki, Ákos and Nagy, Lajos and Zsuga, Miklós and Kéki, Sándor},\n\tyear = {2011},\n\tkeywords = {Direct Analysis in Real Time ionization (DART), Phthalic acid ester, Poly(vinyl chloride), Tandem mass spectrometry (MS/MS)},\n\tpages = {225--228},\n}\n\n\n\n
\n
\n\n\n
\n It was found that the collision energy/voltage necessary to obtain 50% fragmentation (CV50) was linearly dependent on the molecular weight of phthalic acid esters (PAEs). Based on this observation a fast screening technique for the detection of PAEs in poly vinyl chloride (PVC) samples was developed using Direct Analysis in Real Time (DART) ionization tandem mass spectrometry. Based on this observation an automated data acquisition method, including mass-dependent tuning of the collision energy/voltage in DART-MS/MS, was developed thereby reducing the analysis time.\n
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\n\n\n
\n \n\n \n \n \n \n \n \n Authentication of Animal Fats Using Direct Analysis in Real Time (DART) Ionization−Mass Spectrometry and Chemometric Tools.\n \n \n \n \n\n\n \n Vaclavik, L.; Hrbek, V.; Cajka, T.; Rohlik, B.; Pipek, P.; and Hajslova, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(11): 5919–5926. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AuthenticationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_authentication_2011,\n\ttitle = {Authentication of {Animal} {Fats} {Using} {Direct} {Analysis} in {Real} {Time} ({DART}) {Ionization}−{Mass} {Spectrometry} and {Chemometric} {Tools}},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf200734x},\n\tdoi = {10.1021/jf200734x},\n\tabstract = {A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10\\% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10\\% pork added to beef and vice versa was possible.\nA combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10\\% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10\\% pork added to beef and vice versa was possible.},\n\tnumber = {11},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Vaclavik, Lukas and Hrbek, Vojtech and Cajka, Tomas and Rohlik, Bo-Anne and Pipek, Petr and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {animal fat; meat; adulteration; direct analysis in real time; mass spectrometry; multivariate analysis; AccuTOF},\n\tpages = {5919--5926},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10% pork added to beef and vice versa was possible. A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10% pork added to beef and vice versa was possible.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry and its applications in chemical analysis.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Morlock, G. E.; and Revelsky, I. A.\n\n\n \n\n\n\n Russian Chemical Reviews, 80(3): 235. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_dart_2011,\n\ttitle = {{DART} mass spectrometry and its applications in chemical analysis},\n\tvolume = {80},\n\turl = {http://stacks.iop.org/0036-021X/80/i=3/a=R03},\n\tabstract = {Published data on the fundamental and applied aspects of DART mass spectrometry are surveyed. The DART ionization principles and the key parameters affecting the analytical characteristics of the method and the mass spectra of the determined compounds are considered. The advantages and drawbacks of DART mass spectrometry are discussed and the existing and prospective applications are outlined.},\n\tnumber = {3},\n\tjournal = {Russian Chemical Reviews},\n\tauthor = {Chernetsova, Elena S. and Morlock, G. E. and Revelsky, Igor A.},\n\tyear = {2011},\n\tkeywords = {review},\n\tpages = {235},\n}\n\n\n\n
\n
\n\n\n
\n Published data on the fundamental and applied aspects of DART mass spectrometry are surveyed. The DART ionization principles and the key parameters affecting the analytical characteristics of the method and the mass spectra of the determined compounds are considered. The advantages and drawbacks of DART mass spectrometry are discussed and the existing and prospective applications are outlined.\n
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\n \n\n \n \n \n \n \n \n Challenging applications offered by direct analysis in real time (DART) in food-quality and safety analysis.\n \n \n \n \n\n\n \n Hajslova, J.; Cajka, T.; and Vaclavik, L.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry, 30(2): 204–218. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ChallengingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{hajslova_challenging_2011,\n\ttitle = {Challenging applications offered by direct analysis in real time ({DART}) in food-quality and safety analysis},\n\tvolume = {30},\n\tissn = {0165-9936},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0165993610003134},\n\tdoi = {10.1016/j.trac.2010.11.001},\n\tabstract = {Direct analysis in real time (DART) is an ambient ionization technique undergoing rapid development. With minimal sample pre-treatment, ionization of analyte molecules outside the mass spectrometry (MS) instrument in the ordinary atmosphere is feasible. This ionization approach relies upon the fundamental principles of atmospheric pressure chemical ionization.\n\nThe current review highlights and critically assesses application of DART (and some related desorption/ionization techniques) coupled to various types of MS analyzers for both target and non-target analysis of complex food matrices. Based on existing studies, DART-MS is presented as a simple, high-throughput tool for:(i)\nqualitative confirmation of chemical identity;\n(ii)\nmetabolomic fingerprinting/profiling; and,\n(iii)\nquantification of low-molecular-weight food components, including some trace organic contaminants.\n\n\nWith regard to regulatory requirements, we mention practical aspects of DART-MS use, as well as performance characteristics that can be attained.},\n\tnumber = {2},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Hajslova, Jana and Cajka, Tomas and Vaclavik, Lukas},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Ambient ionization, Atmospheric pressure chemical ionization, Contaminant, DART, Direct analysis in real time, Fingerprinting, Food quality, Food safety, Profiling, mass spectrometry},\n\tpages = {204--218},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is an ambient ionization technique undergoing rapid development. With minimal sample pre-treatment, ionization of analyte molecules outside the mass spectrometry (MS) instrument in the ordinary atmosphere is feasible. This ionization approach relies upon the fundamental principles of atmospheric pressure chemical ionization. The current review highlights and critically assesses application of DART (and some related desorption/ionization techniques) coupled to various types of MS analyzers for both target and non-target analysis of complex food matrices. Based on existing studies, DART-MS is presented as a simple, high-throughput tool for:(i) qualitative confirmation of chemical identity; (ii) metabolomic fingerprinting/profiling; and, (iii) quantification of low-molecular-weight food components, including some trace organic contaminants. With regard to regulatory requirements, we mention practical aspects of DART-MS use, as well as performance characteristics that can be attained.\n
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\n \n\n \n \n \n \n \n \n Purification of pharmaceutical preparations using thin-layer chromatography to obtain mass spectra with Direct Analysis in Real Time and accurate mass spectrometry.\n \n \n \n \n\n\n \n Wood, J. L.; and Steiner, R. R.\n\n\n \n\n\n\n Drug Testing and Analysis, 3(6): 345–351. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PurificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wood_purification_2011,\n\ttitle = {Purification of pharmaceutical preparations using thin-layer chromatography to obtain mass spectra with {Direct} {Analysis} in {Real} {Time} and accurate mass spectrometry},\n\tvolume = {3},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.293},\n\tdoi = {10.1002/dta.293},\n\tabstract = {Forensic analysis of pharmaceutical preparations requires a comparative analysis with a standard of the suspected drug in order to identify the active ingredient. Purchasing analytical standards can be expensive or unattainable from the drug manufacturers. Direct Analysis in Real Time (DART™) is a novel, ambient ionization technique, typically coupled with a JEOL AccuTOF™ (accurate mass) mass spectrometer. While a fast and easy technique to perform, a drawback of using DART™ is the lack of component separation of mixtures prior to ionization. Various in-house pharmaceutical preparations were purified using thin-layer chromatography (TLC) and mass spectra were subsequently obtained using the AccuTOF™- DART™ technique. Utilizing TLC prior to sample introduction provides a simple, low-cost solution to acquiring mass spectra of the purified preparation. Each spectrum was compared against an in-house molecular formula list to confirm the accurate mass elemental compositions. Spectra of purified ingredients of known pharmaceuticals were added to an in-house library for use as comparators for casework samples. Resolving isomers from one another can be accomplished using collision-induced dissociation after ionization. Challenges arose when the pharmaceutical preparation required an optimized TLC solvent to achieve proper separation and purity of the standard. Purified spectra were obtained for 91 preparations and included in an in-house drug standard library. Primary standards would only need to be purchased when pharmaceutical preparations not previously encountered are submitted for comparative analysis. TLC prior to DART™ analysis demonstrates a time efficient and cost saving technique for the forensic drug analysis community. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {6},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Wood, Jessica L. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Direct analysis in real time, forensic science, pharmaceutical preparations, thin-layer chromatography, time of flight},\n\tpages = {345--351},\n}\n\n\n\n
\n
\n\n\n
\n Forensic analysis of pharmaceutical preparations requires a comparative analysis with a standard of the suspected drug in order to identify the active ingredient. Purchasing analytical standards can be expensive or unattainable from the drug manufacturers. Direct Analysis in Real Time (DART™) is a novel, ambient ionization technique, typically coupled with a JEOL AccuTOF™ (accurate mass) mass spectrometer. While a fast and easy technique to perform, a drawback of using DART™ is the lack of component separation of mixtures prior to ionization. Various in-house pharmaceutical preparations were purified using thin-layer chromatography (TLC) and mass spectra were subsequently obtained using the AccuTOF™- DART™ technique. Utilizing TLC prior to sample introduction provides a simple, low-cost solution to acquiring mass spectra of the purified preparation. Each spectrum was compared against an in-house molecular formula list to confirm the accurate mass elemental compositions. Spectra of purified ingredients of known pharmaceuticals were added to an in-house library for use as comparators for casework samples. Resolving isomers from one another can be accomplished using collision-induced dissociation after ionization. Challenges arose when the pharmaceutical preparation required an optimized TLC solvent to achieve proper separation and purity of the standard. Purified spectra were obtained for 91 preparations and included in an in-house drug standard library. Primary standards would only need to be purchased when pharmaceutical preparations not previously encountered are submitted for comparative analysis. TLC prior to DART™ analysis demonstrates a time efficient and cost saving technique for the forensic drug analysis community. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Detection of illicit drugs on surfaces using direct analysis in real time (DART) time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Grange, A. H.; and Sovocool, G. W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(9): 1271–1281. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{grange_detection_2011,\n\ttitle = {Detection of illicit drugs on surfaces using direct analysis in real time ({DART}) time-of-flight mass spectrometry},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5009},\n\tdoi = {10.1002/rcm.5009},\n\tabstract = {Methamphetamine (meth) from meth syntheses or habitual meth smoking deposited on household surfaces poses human health hazards. The U.S. State Departments of Health require decontamination of sites where meth was synthesized (meth labs) before they are sold. National Institute for Occupational Safety and Health (NIOSH) methods for meth analysis require wipe sampling, extraction, clean-up, solvent exchange, derivatization, and/or mass spectral analysis using selected ion monitoring. Rapid and inexpensive analyses could screen for drug-contamination within structures with greater spatial resolution, provide real-time analyses during decontamination, and provide thorough documentation of successful clean ups. Herein an autosampler/open-air ion source time-of-flight mass spectrometric technique is described that required only direct sampling using cotton-swab wipes. Each wipe sample collection required 2 min and data acquisition required only 13 s per sample. Optimum collision-induced dissociation voltages, desorption gas temperatures, and wipe sample solvents were determined for 11 drugs. Peaks were observed in analyte-ion traces for 0.025 µg/100 cm2 of meth and seven other drugs. This level is half the detection limit of NIOSH methods and one-fourth of the lowest U.S. state decontamination limit for meth. Dynamic ranges of 100 in concentration were demonstrated for eight drugs, which is sufficient for a screening technique. The volatilities of 11 drugs deposited on glass were determined. The pick up of the drugs by solvent-soaked cotton-swab wipes from glass relative to acrylic latex paint was also compared. Published in 2011 by John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H. and Sovocool, G. Wayne},\n\tyear = {2011},\n\tpages = {1271--1281},\n}\n\n\n\n
\n
\n\n\n
\n Methamphetamine (meth) from meth syntheses or habitual meth smoking deposited on household surfaces poses human health hazards. The U.S. State Departments of Health require decontamination of sites where meth was synthesized (meth labs) before they are sold. National Institute for Occupational Safety and Health (NIOSH) methods for meth analysis require wipe sampling, extraction, clean-up, solvent exchange, derivatization, and/or mass spectral analysis using selected ion monitoring. Rapid and inexpensive analyses could screen for drug-contamination within structures with greater spatial resolution, provide real-time analyses during decontamination, and provide thorough documentation of successful clean ups. Herein an autosampler/open-air ion source time-of-flight mass spectrometric technique is described that required only direct sampling using cotton-swab wipes. Each wipe sample collection required 2 min and data acquisition required only 13 s per sample. Optimum collision-induced dissociation voltages, desorption gas temperatures, and wipe sample solvents were determined for 11 drugs. Peaks were observed in analyte-ion traces for 0.025 µg/100 cm2 of meth and seven other drugs. This level is half the detection limit of NIOSH methods and one-fourth of the lowest U.S. state decontamination limit for meth. Dynamic ranges of 100 in concentration were demonstrated for eight drugs, which is sufficient for a screening technique. The volatilities of 11 drugs deposited on glass were determined. The pick up of the drugs by solvent-soaked cotton-swab wipes from glass relative to acrylic latex paint was also compared. Published in 2011 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Identification and semi-quantitative analysis of parabens and UV filters in cosmetic products by direct-analysis-in-real-time mass spectrometry and gas chromatography with mass spectrometric detection.\n \n \n \n \n\n\n \n Haunschmidt, M.; Buchberger, W.; Klampfl, C. W.; and Hertsens, R.\n\n\n \n\n\n\n Anal. Methods, 3(1): 99–104. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_identification_2011,\n\ttitle = {Identification and semi-quantitative analysis of parabens and {UV} filters in cosmetic products by direct-analysis-in-real-time mass spectrometry and gas chromatography with mass spectrometric detection},\n\tvolume = {3},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C0AY00588F},\n\tabstract = {A method based on direct-analysis-in-real-time mass spectrometry (DART-MS) for the qualitative and semi-quantitative analysis of eight organic UV filters and four parabens in twelve cosmetic products with substantially different formulations (as cream, milk, lotion, oil, lipstick) was developed. All tested substances could be identified unambiguously in the investigated samples without any sample pre-treatment. Direct analysis of cosmetic products allows semi-quantitative determination of parabens. For UV filters no satisfactory results were obtained by direct analysis but all analytes could be quantified by simply dissolving the samples in methanol, addition of an internal standard and subsequent measurement of the solution by DART-MS without further pre-treatment. The results obtained using DART-MS were confirmed by a more established method namely gas chromatography with mass spectrometric detection (GC-MS).},\n\tnumber = {1},\n\tjournal = {Anal. Methods},\n\tauthor = {Haunschmidt, Manuela and Buchberger, Wolfgang and Klampfl, Christian W. and Hertsens, Robert},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {99--104},\n}\n\n\n\n
\n
\n\n\n
\n A method based on direct-analysis-in-real-time mass spectrometry (DART-MS) for the qualitative and semi-quantitative analysis of eight organic UV filters and four parabens in twelve cosmetic products with substantially different formulations (as cream, milk, lotion, oil, lipstick) was developed. All tested substances could be identified unambiguously in the investigated samples without any sample pre-treatment. Direct analysis of cosmetic products allows semi-quantitative determination of parabens. For UV filters no satisfactory results were obtained by direct analysis but all analytes could be quantified by simply dissolving the samples in methanol, addition of an internal standard and subsequent measurement of the solution by DART-MS without further pre-treatment. The results obtained using DART-MS were confirmed by a more established method namely gas chromatography with mass spectrometric detection (GC-MS).\n
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\n \n\n \n \n \n \n \n \n Development and validation of AccuTOF-DART™ as a screening method for analysis of bank security device and pepper spray components.\n \n \n \n \n\n\n \n Pfaff, A. M.; and Steiner, R. R.\n\n\n \n\n\n\n Forensic Science International, 206(1–3): 62–70. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DevelopmentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{pfaff_development_2011,\n\ttitle = {Development and validation of {AccuTOF}-{DART}™ as a screening method for analysis of bank security device and pepper spray components},\n\tvolume = {206},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073810003154},\n\tdoi = {10.1016/j.forsciint.2010.06.018},\n\tabstract = {Analysis of bank security devices, containing 1-methylaminoanthraquinone (MAAQ) and o-chlorobenzylidenemalononitrile (CS), and pepper sprays, containing capsaicin, is a lengthy process with no specific screening technique to aid in identifying samples of interest. Direct Analysis in Real Time (DART™) ionization coupled with an Accurate Time of Flight (AccuTOF) mass detector is a fast, ambient ionization source that could significantly reduce time spent on these cases and increase the specificity of the screening process. A new method for screening clothing for bank dye and pepper spray, using AccuTOF-DART™ analysis, has been developed. Detection of MAAQ, CS, and capsaicin was achieved via extraction of each compound onto cardstock paper, which was then sampled in the AccuTOF-DART™. All results were verified using gas chromatography coupled with electron impact mass spectrometry.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Pfaff, Allison M. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {Bank dye, Direct analysis in real time, Forensic science; Bank dye; Pepper spray; Direct Analysis in Real Time; Mass spectrometry; Time of flight; AccuTOF, Pepper spray, forensic science, mass spectrometry, time of flight},\n\tpages = {62--70},\n}\n\n\n\n
\n
\n\n\n
\n Analysis of bank security devices, containing 1-methylaminoanthraquinone (MAAQ) and o-chlorobenzylidenemalononitrile (CS), and pepper sprays, containing capsaicin, is a lengthy process with no specific screening technique to aid in identifying samples of interest. Direct Analysis in Real Time (DART™) ionization coupled with an Accurate Time of Flight (AccuTOF) mass detector is a fast, ambient ionization source that could significantly reduce time spent on these cases and increase the specificity of the screening process. A new method for screening clothing for bank dye and pepper spray, using AccuTOF-DART™ analysis, has been developed. Detection of MAAQ, CS, and capsaicin was achieved via extraction of each compound onto cardstock paper, which was then sampled in the AccuTOF-DART™. All results were verified using gas chromatography coupled with electron impact mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Analysis of printing and writing papers by using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Adams, J.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 301(1–3): 109–126. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{adams_analysis_2011,\n\ttitle = {Analysis of printing and writing papers by using direct analysis in real time mass spectrometry},\n\tvolume = {301},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380610002617},\n\tdoi = {10.1016/j.ijms.2010.07.025},\n\tabstract = {A quick and direct method for identifying organic components of papers in library and archival collections with minimal destructive sampling is needed for preservation, forensic, and general purposes. Direct analysis in real time mass spectrometry (DART-MS) is used for characterizing 16 reference papers of known manufacture in terms of their pulp composition and pitch contaminants. Unique mass spectra are obtained from bleached kraft, chemithermomechanical, and stone groundwood pulp papers in real time without extractions, derivatizations, chromatographic separations, and other time- and chemical-consuming sample preparations. Phytosteroids are volatilized from bleached hardwood kraft but not from bleached softwood kraft papers, which differentiates the two of them. The kraft papers are in turn differentiated from chemithermomechanical pulp papers by lignin-derived thermolyis products: syringyl products arise from hardwood, but guaiacyl and coumaryl products arise from softwood, chemithermomechanical pulp papers. Stone groundwood papers contain a number of extractives that are volatilized, which serve to differentiate them from all the other papers. Papers that contain rosin vs. alkyl ketene dimer (AKD) sizings are immediately differentiated. The DART-MS methodology is fast and simple, and the spectra are repeatable. Microsamples as small as ∼10\\&\\#xa0;μg tweezed from the paper surface may be analyzed. These benchmark spectra are the prelude to further applications of DART-MS in paper research and the beginning of the development of a searchable library of DART-MS spectra of printing and writing papers by the Library of Congress.},\n\tnumber = {1–3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Adams, Jeanette},\n\tyear = {2011},\n\tkeywords = {AccuTOF, DART, Direct analysis in real time, Extractives, Lignin, Paper, Pulp},\n\tpages = {109--126},\n}\n\n\n\n
\n
\n\n\n
\n A quick and direct method for identifying organic components of papers in library and archival collections with minimal destructive sampling is needed for preservation, forensic, and general purposes. Direct analysis in real time mass spectrometry (DART-MS) is used for characterizing 16 reference papers of known manufacture in terms of their pulp composition and pitch contaminants. Unique mass spectra are obtained from bleached kraft, chemithermomechanical, and stone groundwood pulp papers in real time without extractions, derivatizations, chromatographic separations, and other time- and chemical-consuming sample preparations. Phytosteroids are volatilized from bleached hardwood kraft but not from bleached softwood kraft papers, which differentiates the two of them. The kraft papers are in turn differentiated from chemithermomechanical pulp papers by lignin-derived thermolyis products: syringyl products arise from hardwood, but guaiacyl and coumaryl products arise from softwood, chemithermomechanical pulp papers. Stone groundwood papers contain a number of extractives that are volatilized, which serve to differentiate them from all the other papers. Papers that contain rosin vs. alkyl ketene dimer (AKD) sizings are immediately differentiated. The DART-MS methodology is fast and simple, and the spectra are repeatable. Microsamples as small as ∼10 μg tweezed from the paper surface may be analyzed. These benchmark spectra are the prelude to further applications of DART-MS in paper research and the beginning of the development of a searchable library of DART-MS spectra of printing and writing papers by the Library of Congress.\n
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\n \n\n \n \n \n \n \n \n Determination of drugs and drug-like compounds in different samples with direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n Mass Spectrometry Reviews, 30(5): 875–883. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{chernetsova_determination_2011,\n\ttitle = {Determination of drugs and drug-like compounds in different samples with direct analysis in real time mass spectrometry},\n\tvolume = {30},\n\tissn = {1098-2787},\n\turl = {http://dx.doi.org/10.1002/mas.20304},\n\tdoi = {10.1002/mas.20304},\n\tabstract = {Direct analysis in real time (DART), a relatively new ionization source for mass spectrometry, ionizes small-molecule components from different kinds of samples without any sample preparation and chromatographic separation. The current paper reviews the published data available on the determination of drugs and drug-like compounds in different matrices with DART-MS, including identification and quantitation issues. Parameters that affect ionization efficiency and mass spectra composition are also discussed. © 2011 Wiley Periodicals, Inc., Mass Spec Rev 30:875–883, 2011},\n\tnumber = {5},\n\tjournal = {Mass Spectrometry Reviews},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tyear = {2011},\n\tkeywords = {Ambient mass spectrometry, DART, Direct analysis in real time, drugs, identification, quantitation, review; direct analysis in real time; DART; drugs; identification; quantitation; ambient mass spectrometry},\n\tpages = {875--883},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART), a relatively new ionization source for mass spectrometry, ionizes small-molecule components from different kinds of samples without any sample preparation and chromatographic separation. The current paper reviews the published data available on the determination of drugs and drug-like compounds in different matrices with DART-MS, including identification and quantitation issues. Parameters that affect ionization efficiency and mass spectra composition are also discussed. © 2011 Wiley Periodicals, Inc., Mass Spec Rev 30:875–883, 2011\n
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\n \n\n \n \n \n \n \n \n Quantitative analysis of major dibenzocyclooctane lignans in schisandrae fructus by online TLC-DART-MS.\n \n \n \n \n\n\n \n Kim, H. J.; Oh, M. S.; Hong, J.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis, 22(3): 258–262. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_quantitative_2011,\n\ttitle = {Quantitative analysis of major dibenzocyclooctane lignans in schisandrae fructus by online {TLC}-{DART}-{MS}},\n\tvolume = {22},\n\tissn = {09580344},\n\turl = {http://doi.wiley.com/10.1002/pca.1273},\n\tdoi = {10.1002/pca.1273},\n\tabstract = {Introduction – Direct analysis in real time (DART) ion source is a powerful ionising technique for the quick and easy detection of various organic molecules without any sample preparation steps, but the lack of quantitation capacity limits its extensive use in the field of phytochemical analysis.\nObjective – To improvise a new system which utilize DART-MS as a hyphenated detector for quantitation.\nMethodology – A total extract of Schisandra chinensis fruit was analyzed on a TLC plate and three major lignan compounds were quantitated by three different methods of UV densitometry, TLC-DART-MS and HPLC-UV to compare the efficiency of each method. To introduce the TLC plate into the DART ion source at a constant velocity, a syringe pump was employed. The DART-MS total ion current chromatogram was recorded for the entire TLC plate. The concentration of each lignan compound was calculated from the calibration curve established with standard compound.\nResults – Gomisin A, gomisin N and schisandrin were well separated on a silica-coated TLC plate and the specific ion current chromatograms were successfully acquired from the TLC-DART-MS system. The TLC-DART-MS system for the quantitation of natural products showed better linearity and specificity than TLC densitometry, and consumed less time and solvent than conventional HPLC method.\nConclusion – A hyphenated system for the quantitation of phytochemicals from crude herbal drugs was successfully established. This system was shown to have a powerful analytical capacity for the prompt and efficient quantitation of natural products from crude drugs.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Oh, Myung Sook and Hong, Jongki and Jang, Young Pyo},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {258--262},\n}\n\n\n\n
\n
\n\n\n
\n Introduction – Direct analysis in real time (DART) ion source is a powerful ionising technique for the quick and easy detection of various organic molecules without any sample preparation steps, but the lack of quantitation capacity limits its extensive use in the field of phytochemical analysis. Objective – To improvise a new system which utilize DART-MS as a hyphenated detector for quantitation. Methodology – A total extract of Schisandra chinensis fruit was analyzed on a TLC plate and three major lignan compounds were quantitated by three different methods of UV densitometry, TLC-DART-MS and HPLC-UV to compare the efficiency of each method. To introduce the TLC plate into the DART ion source at a constant velocity, a syringe pump was employed. The DART-MS total ion current chromatogram was recorded for the entire TLC plate. The concentration of each lignan compound was calculated from the calibration curve established with standard compound. Results – Gomisin A, gomisin N and schisandrin were well separated on a silica-coated TLC plate and the specific ion current chromatograms were successfully acquired from the TLC-DART-MS system. The TLC-DART-MS system for the quantitation of natural products showed better linearity and specificity than TLC densitometry, and consumed less time and solvent than conventional HPLC method. Conclusion – A hyphenated system for the quantitation of phytochemicals from crude herbal drugs was successfully established. This system was shown to have a powerful analytical capacity for the prompt and efficient quantitation of natural products from crude drugs.\n
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\n \n\n \n \n \n \n \n \n Principal component directed partial least squares analysis for combining nuclear magnetic resonance and mass spectrometry data in metabolomics: Application to the detection of breast cancer.\n \n \n \n \n\n\n \n Gu, H.; Pan, Z.; Xi, B.; Asiago, V.; Musselman, B.; and Raftery, D.\n\n\n \n\n\n\n Analytica Chimica Acta, 686(1–2): 57–63. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PrincipalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{gu_principal_2011,\n\ttitle = {Principal component directed partial least squares analysis for combining nuclear magnetic resonance and mass spectrometry data in metabolomics: {Application} to the detection of breast cancer},\n\tvolume = {686},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267010014558},\n\tdoi = {10.1016/j.aca.2010.11.040},\n\tabstract = {Nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) are the two most commonly used analytical tools in metabolomics, and their complementary nature makes the combination particularly attractive. A combined analytical approach can improve the potential for providing reliable methods to detect metabolic profile alterations in biofluids or tissues caused by disease, toxicity, etc. In this paper, 1H NMR spectroscopy and direct analysis in real time (DART)-MS were used for the metabolomics analysis of serum samples from breast cancer patients and healthy controls. Principal component analysis (PCA) of the NMR data showed that the first principal component (PC1) scores could be used to separate cancer from normal samples. However, no such obvious clustering could be observed in the PCA score plot of DART-MS data, even though DART-MS can provide a rich and informative metabolic profile. Using a modified multivariate statistical approach, the DART-MS data were then reevaluated by orthogonal signal correction (OSC) pretreated partial least squares (PLS), in which the Y matrix in the regression was set to the PC1 score values from the NMR data analysis. This approach, and a similar one using the first latent variable from PLS-DA of the NMR data resulted in a significant improvement of the separation between the disease samples and normals, and a metabolic profile related to breast cancer could be extracted from DART-MS. The new approach allows the disease classification to be expressed on a continuum as opposed to a binary scale and thus better represents the disease and healthy classifications. An improved metabolic profile obtained by combining MS and NMR by this approach may be useful to achieve more accurate disease detection and gain more insight regarding disease mechanisms and biology.},\n\tnumber = {1–2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Gu, Haiwei and Pan, Zhengzheng and Xi, Bowei and Asiago, Vincent and Musselman, Brian and Raftery, Daniel},\n\tyear = {2011},\n\tkeywords = {Breast cancer, Direct analysis in real time, Human serum, Nuclear magnetic resonance, Orthogonal signal correction, Partial least squares, mass spectrometry, metabolomics},\n\tpages = {57--63},\n}\n\n\n\n
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\n Nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) are the two most commonly used analytical tools in metabolomics, and their complementary nature makes the combination particularly attractive. A combined analytical approach can improve the potential for providing reliable methods to detect metabolic profile alterations in biofluids or tissues caused by disease, toxicity, etc. In this paper, 1H NMR spectroscopy and direct analysis in real time (DART)-MS were used for the metabolomics analysis of serum samples from breast cancer patients and healthy controls. Principal component analysis (PCA) of the NMR data showed that the first principal component (PC1) scores could be used to separate cancer from normal samples. However, no such obvious clustering could be observed in the PCA score plot of DART-MS data, even though DART-MS can provide a rich and informative metabolic profile. Using a modified multivariate statistical approach, the DART-MS data were then reevaluated by orthogonal signal correction (OSC) pretreated partial least squares (PLS), in which the Y matrix in the regression was set to the PC1 score values from the NMR data analysis. This approach, and a similar one using the first latent variable from PLS-DA of the NMR data resulted in a significant improvement of the separation between the disease samples and normals, and a metabolic profile related to breast cancer could be extracted from DART-MS. The new approach allows the disease classification to be expressed on a continuum as opposed to a binary scale and thus better represents the disease and healthy classifications. An improved metabolic profile obtained by combining MS and NMR by this approach may be useful to achieve more accurate disease detection and gain more insight regarding disease mechanisms and biology.\n
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\n \n\n \n \n \n \n \n \n Allium Discoloration: The Precursor and Formation of the Red Pigment in Giant Onion (Allium giganteum Regel) and Some Other Subgenus Melanocrommyum Species.\n \n \n \n \n\n\n \n Kučerová, P.; Kubec, R.; Šimek, P.; Václavík, L.; and Schraml, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(5): 1821–1828. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AlliumPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kucerova_allium_2011,\n\ttitle = {Allium {Discoloration}: {The} {Precursor} and {Formation} of the {Red} {Pigment} in {Giant} {Onion} ({Allium} giganteum {Regel}) and {Some} {Other} {Subgenus} {Melanocrommyum} {Species}},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf104195k},\n\tdoi = {10.1021/jf104195k},\n\tabstract = {The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).\nThe precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).},\n\tnumber = {5},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Kučerová, Petra and Kubec, Roman and Šimek, Petr and Václavík, Lukáš and Schraml, Jan},\n\tyear = {2011},\n\tkeywords = {S-(2-pyrrolyl)cysteine S-oxide; S-(3-pyrrolyl)cysteine S-oxide; giant onion; Allium giganteum; Melanocrommyum; discoloration; thiosulfinate; pigment; LC−NMR; DART-MS; sulfenic acid; non-protein amino acid; AccuTOF},\n\tpages = {1821--1828},\n}\n\n\n\n
\n
\n\n\n
\n The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa). The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).\n
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\n \n\n \n \n \n \n \n \n Rapid identification and absence of drug tests for AG-013736 in 1 mg Axitinib tablets by ion mobility spectrometry and DART™ mass spectrometry.\n \n \n \n \n\n\n \n Likar, M. D.; Cheng, G.; Mahajan, N.; and Zhang, Z.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 55(3): 569–573. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{likar_rapid_2011,\n\ttitle = {Rapid identification and absence of drug tests for {AG}-013736 in 1 mg {Axitinib} tablets by ion mobility spectrometry and {DART}™ mass spectrometry},\n\tvolume = {55},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708511001099},\n\tdoi = {10.1016/j.jpba.2011.02.021},\n\tabstract = {Axitinib (AG-013736) is a potent investigational drug that has antitumor activity in patients with metastatic renal cell carcinoma and other types of cancers. In this study, ion mobility spectrometry and “direct analysis in real time” (DART™) mass spectrometry were used to rapidly identify AG-013736 in drug substance samples and 1\\&\\#xa0;mg Axitinib tablets. The plasmagrams of the sample solutions exhibited a major peak with a reduced ion mobility that was within ±0.0002\\&\\#xa0;cm2\\&\\#xa0;V−1\\&\\#xa0;s−1 of that for AG-013736 in an external reference standard solution. The DART ionization source was coupled with both a time-of-flight mass spectrometer and a lower-resolution ion trap mass spectrometer. Samples were analyzed by this technique in as little as 5\\&\\#xa0;s with minimal to no sample preparation required. The isotopic masses of the protonated dimer ions of AG-013736 were used to identify AG-013736 in the active tablet. Both techniques were also used to develop low-level limit tests for rapidly verifying the presence or absence of AG-013736 in blinded clinical supplies of active and matching placebo tablets of Axitinib.},\n\tnumber = {3},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Likar, Michael D. and Cheng, Guilong and Mahajan, Nidhi and Zhang, Zhongli},\n\tyear = {2011},\n\tkeywords = {Axitinib, Direct analysis in real time, Ion mobility spectrometry, Ion mobility spectrometry; Direct analysis in real time; Mass spectrometry; Axitinib; AccuTOF, mass spectrometry},\n\tpages = {569--573},\n}\n\n\n\n
\n
\n\n\n
\n Axitinib (AG-013736) is a potent investigational drug that has antitumor activity in patients with metastatic renal cell carcinoma and other types of cancers. In this study, ion mobility spectrometry and “direct analysis in real time” (DART™) mass spectrometry were used to rapidly identify AG-013736 in drug substance samples and 1 mg Axitinib tablets. The plasmagrams of the sample solutions exhibited a major peak with a reduced ion mobility that was within ±0.0002 cm2 V−1 s−1 of that for AG-013736 in an external reference standard solution. The DART ionization source was coupled with both a time-of-flight mass spectrometer and a lower-resolution ion trap mass spectrometer. Samples were analyzed by this technique in as little as 5 s with minimal to no sample preparation required. The isotopic masses of the protonated dimer ions of AG-013736 were used to identify AG-013736 in the active tablet. Both techniques were also used to develop low-level limit tests for rapidly verifying the presence or absence of AG-013736 in blinded clinical supplies of active and matching placebo tablets of Axitinib.\n
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\n \n\n \n \n \n \n \n \n Simplified and rapid determination of polychlorinated biphenyls, polybrominated diphenyl ethers, and polycyclic aromatic hydrocarbons in fish and shrimps integrated into a single method.\n \n \n \n \n\n\n \n Kalachova, K.; Pulkrabova, J.; Drabova, L.; Cajka, T.; Kocourek, V.; and Hajslova, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 707(1–2): 84–91. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SimplifiedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{kalachova_simplified_2011,\n\ttitle = {Simplified and rapid determination of polychlorinated biphenyls, polybrominated diphenyl ethers, and polycyclic aromatic hydrocarbons in fish and shrimps integrated into a single method},\n\tvolume = {707},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267011012347},\n\tdoi = {10.1016/j.aca.2011.09.016},\n\tabstract = {In this study, a new rapid and flexible method for the simultaneous determination of 18 key representatives of polychlorinated biphenyls (PCBs), 7 polybrominated diphenyl ethers (PBDEs), and 32 polycyclic aromatic hydrocarbons (PAHs) in fish and shrimps by gas chromatography coupled to mass spectrometry (GC–MS) was developed and validated. A substantial simplification of sample processing prior to quantification step was achieved: after addition of water to homogenized sample, transfer of hydrophobic analytes into ethyl acetate was supported by added inorganic salts. Bulk fat, contained in crude organic extract obtained by partition, was subsequently removed on a silica minicolumn. This approach enabled to process six samples in less than 1\\&\\#xa0;h; moreover, the volume of an extraction solvent and consumption of other chemicals can be significantly reduced compared to, e.g., traditional Soxhlet extraction followed by gel permeation chromatography. The recoveries of target analytes were in the range of 73–120\\% even at the lowest spiking level (1\\&\\#xa0;μg\\&\\#xa0;kg−1), repeatabilities (relative standard deviations, RSDs) ranged from 1 to 20\\%. Under optimized GC–MS conditions (time-of-flight mass analyzer, TOF), the limits of quantification (LOQs) were as follows: PCBs 0.1–0.5\\&\\#xa0;μg\\&\\#xa0;kg−1, PBDEs 0.5\\&\\#xa0;μg\\&\\#xa0;kg−1, and PAHs 0.05–0.25\\&\\#xa0;μg\\&\\#xa0;kg−1. Ambient mass spectrometry employing a direct analysis in real time (DART) ion source was shown as an effective tool for fat control in extract, which is needed during the method development and examination of unknown samples prior to the analysis. Further extension of a method scope by other similar analytes is easily possible.},\n\tnumber = {1–2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Kalachova, Kamila and Pulkrabova, Jana and Drabova, Lucie and Cajka, Tomas and Kocourek, Vladimir and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {DART, Fish, Fish; Shrimps; PCB; PBDE; PAH; GC–TOFMS; DART; AccuTOF, GC–TOFMS, PAH, PBDE, PCB, Shrimps},\n\tpages = {84--91},\n}\n\n\n\n
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\n In this study, a new rapid and flexible method for the simultaneous determination of 18 key representatives of polychlorinated biphenyls (PCBs), 7 polybrominated diphenyl ethers (PBDEs), and 32 polycyclic aromatic hydrocarbons (PAHs) in fish and shrimps by gas chromatography coupled to mass spectrometry (GC–MS) was developed and validated. A substantial simplification of sample processing prior to quantification step was achieved: after addition of water to homogenized sample, transfer of hydrophobic analytes into ethyl acetate was supported by added inorganic salts. Bulk fat, contained in crude organic extract obtained by partition, was subsequently removed on a silica minicolumn. This approach enabled to process six samples in less than 1 h; moreover, the volume of an extraction solvent and consumption of other chemicals can be significantly reduced compared to, e.g., traditional Soxhlet extraction followed by gel permeation chromatography. The recoveries of target analytes were in the range of 73–120% even at the lowest spiking level (1 μg kg−1), repeatabilities (relative standard deviations, RSDs) ranged from 1 to 20%. Under optimized GC–MS conditions (time-of-flight mass analyzer, TOF), the limits of quantification (LOQs) were as follows: PCBs 0.1–0.5 μg kg−1, PBDEs 0.5 μg kg−1, and PAHs 0.05–0.25 μg kg−1. Ambient mass spectrometry employing a direct analysis in real time (DART) ion source was shown as an effective tool for fat control in extract, which is needed during the method development and examination of unknown samples prior to the analysis. Further extension of a method scope by other similar analytes is easily possible.\n
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\n \n\n \n \n \n \n \n \n Epiafzelechin from the Root Bark of Cassia sieberiana: Detection by DART Mass Spectrometry, Spectroscopic Characterization, and Antioxidant Properties.\n \n \n \n \n\n\n \n Kpegba, K.; Agbonon, A.; Petrovic, A. G.; Amouzou, E.; Gbeassor, M.; Proni, G.; and Nesnas, N.\n\n\n \n\n\n\n Journal of Natural Products, 74(3): 455–459. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"EpiafzelechinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kpegba_epiafzelechin_2011,\n\ttitle = {Epiafzelechin from the {Root} {Bark} of {Cassia} sieberiana: {Detection} by {DART} {Mass} {Spectrometry}, {Spectroscopic} {Characterization}, and {Antioxidant} {Properties}},\n\tvolume = {74},\n\tissn = {0163-3864, 1520-6025},\n\tshorttitle = {Epiafzelechin from the {Root} {Bark} of {Cassia} sieberiana},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/np100090e},\n\tdoi = {10.1021/np100090e},\n\tabstract = {The root bark of Cassia sieberiana was analyzed using direct analysis in real time mass spectrometry, and a main flavonoid component with an [M + H]+ mass of 275 was identified. The flavonoid, epiafzelechin, was isolated and fully characterized with the concerted use of NMR spectroscopy, circular dichroism, and optical rotation. Electronic circular dichroism and optical rotation TDDFT calculations were also performed, and their agreement with the experimental results confirmed the enantiomeric identity of the isolated natural product. The antioxidant activity of the compound was also investigated.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Journal of Natural Products},\n\tauthor = {Kpegba, Kafui and Agbonon, Amegnona and Petrovic, Ana G. and Amouzou, Etchri and Gbeassor, Messanvi and Proni, Gloria and Nesnas, Nasri},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {455--459},\n}\n\n\n\n
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\n The root bark of Cassia sieberiana was analyzed using direct analysis in real time mass spectrometry, and a main flavonoid component with an [M + H]+ mass of 275 was identified. The flavonoid, epiafzelechin, was isolated and fully characterized with the concerted use of NMR spectroscopy, circular dichroism, and optical rotation. Electronic circular dichroism and optical rotation TDDFT calculations were also performed, and their agreement with the experimental results confirmed the enantiomeric identity of the isolated natural product. The antioxidant activity of the compound was also investigated.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Coupled to Multiplexed Drift Tube Ion Mobility Spectrometry for Detecting Toxic Chemicals.\n \n \n \n \n\n\n \n Harris, G. A.; Kwasnik, M.; and Fernández, F. M.\n\n\n \n\n\n\n Anal. Chem., 83(6): 1908–1915. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{harris_direct_2011,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Coupled} to {Multiplexed} {Drift} {Tube} {Ion} {Mobility} {Spectrometry} for {Detecting} {Toxic} {Chemicals}},\n\tvolume = {83},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac102246h},\n\tdoi = {10.1021/ac102246h},\n\tabstract = {Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95\\% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81\\% v/v for DMMP, 1.13\\% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28\\% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.\nCurrent and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95\\% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81\\% v/v for DMMP, 1.13\\% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28\\% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.},\n\tnumber = {6},\n\tjournal = {Anal. Chem.},\n\tauthor = {Harris, Glenn A. and Kwasnik, Mark and Fernández, Facundo M.},\n\tyear = {2011},\n\tpages = {1908--1915},\n}\n\n\n\n
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\n Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81% v/v for DMMP, 1.13% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections. Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81% v/v for DMMP, 1.13% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.\n
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\n \n\n \n \n \n \n \n \n Analysis of Alprazolam by DART-TOF Mass Spectrometry in Counterfeit and Routine Drug Identification Cases.\n \n \n \n \n\n\n \n Samms, W. C.; Jiang, Y. J.; Dixon, M. D.; Houck, S. S.; and Mozayani, A.\n\n\n \n\n\n\n Journal of Forensic Sciences, 56(4): 993–998. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{samms_analysis_2011,\n\ttitle = {Analysis of {Alprazolam} by {DART}-{TOF} {Mass} {Spectrometry} in {Counterfeit} and {Routine} {Drug} {Identification} {Cases}},\n\tvolume = {56},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2011.01767.x},\n\tdoi = {10.1111/j.1556-4029.2011.01767.x},\n\tabstract = {Abstract:  The high prevalence of alprazolam abuse translates to an increased workload for crime laboratories in characterizing seized tablets. These tablets may originate as diverted pharmaceuticals or counterfeited mimics, so efficient analytical techniques should provide confirmatory data while minimizing destruction of evidence. We offer the first report of a validated forensic method for confirming alprazolam tablets by direct analysis in real time–time of flight (DART-TOF) mass spectrometric analysis. This technique provides rapid identification of target analytes with minimal sample preparation, allowing direct analysis in the atmospheric sample gap. Selectivity is achieved through high resolution and mass accuracy, unique ion fragments, and chlorine isotopic ratios. This method utilizes fragmentation in two separate voltage functions to observe the alprazolam pseudo molecular ion at 309.09070 using 40 V and major ion fragments of 281.07197 and 205.07657 at 120 V. These parameters allow our laboratory to confirm alprazolam tablets efficiently, without compromising quality forensic standards.},\n\tnumber = {4},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Samms, Warren C. and Jiang, Yongyi Julia and Dixon, Mark D. and Houck, Stephen S. and Mozayani, Ashraf},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Direct analysis in real time, alprazolam, confirmation, controlled substances, counterfeit, forensic science},\n\tpages = {993--998},\n}\n\n\n\n
\n
\n\n\n
\n Abstract:  The high prevalence of alprazolam abuse translates to an increased workload for crime laboratories in characterizing seized tablets. These tablets may originate as diverted pharmaceuticals or counterfeited mimics, so efficient analytical techniques should provide confirmatory data while minimizing destruction of evidence. We offer the first report of a validated forensic method for confirming alprazolam tablets by direct analysis in real time–time of flight (DART-TOF) mass spectrometric analysis. This technique provides rapid identification of target analytes with minimal sample preparation, allowing direct analysis in the atmospheric sample gap. Selectivity is achieved through high resolution and mass accuracy, unique ion fragments, and chlorine isotopic ratios. This method utilizes fragmentation in two separate voltage functions to observe the alprazolam pseudo molecular ion at 309.09070 using 40 V and major ion fragments of 281.07197 and 205.07657 at 120 V. These parameters allow our laboratory to confirm alprazolam tablets efficiently, without compromising quality forensic standards.\n
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\n \n\n \n \n \n \n \n \n Microwave-Assisted Solution-Phase Synthesis and DART-Mass Spectrometric Monitoring of a Combinatorial Library of Indolin-2,3-dione Schiff Bases with Potential Antimycobacterial Activity.\n \n \n \n \n\n\n \n Aboul-Fadl, T.; Abdel-Aziz, H. A; Kadi, A.; Ahmad, P.; Elsaman, T.; Attwa, M. W; and Darwish, I. A\n\n\n \n\n\n\n Molecules, 16(6): 5194–5206. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"Microwave-AssistedPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{aboul-fadl_microwave-assisted_2011,\n\ttitle = {Microwave-{Assisted} {Solution}-{Phase} {Synthesis} and {DART}-{Mass} {Spectrometric} {Monitoring} of a {Combinatorial} {Library} of {Indolin}-2,3-dione {Schiff} {Bases} with {Potential} {Antimycobacterial} {Activity}},\n\tvolume = {16},\n\turl = {http://www.mdpi.com/1420-3049/16/6/5194/},\n\tabstract = {A combinatorial library composed of eleven hydrazides A-K and eleven indolin-1,2-dione derivatives 1-11 has been designed to formally generate sublibraries of 22 mixtures, M1-M22 comprising of 121 Schiff bases, A-K(1-11). The designed library has been synthesized by the solution-phase method and microwave-assisted synthetic techniques. The formation of individual compounds of each mixture was confirmed by Direct Analysis in Real Time (DART) as ionization technique connected to an Ion Trap as a mass detector. The synthesized mixtures were evaluated for their antimycobacterial activity against four Mycobacterium strains; M. intercellulari, M. xenopi, M. cheleneoi and M. smegmatis. Variable antimycobacterial activity was revealed with the investigated mixtures and maximum activity was shown by M8, M10, M11, and M15 with MIC values of 1.5, 3.1, 6.2 and 0.09 μg/mL, respectively. Application of the indexed method of analysis on these active mixtures revealed that compounds D8, D10 and D11 may contribute to the activity of the tested mixtures.},\n\tnumber = {6},\n\tjournal = {Molecules},\n\tauthor = {Aboul-Fadl, Tarek and Abdel-Aziz, Hatem A and Kadi, Adnan and Ahmad, Pervez and Elsaman, Tilal and Attwa, Mohamed W and Darwish, Ibrahim A},\n\tyear = {2011},\n\tpages = {5194--5206},\n}\n\n\n\n
\n
\n\n\n
\n A combinatorial library composed of eleven hydrazides A-K and eleven indolin-1,2-dione derivatives 1-11 has been designed to formally generate sublibraries of 22 mixtures, M1-M22 comprising of 121 Schiff bases, A-K(1-11). The designed library has been synthesized by the solution-phase method and microwave-assisted synthetic techniques. The formation of individual compounds of each mixture was confirmed by Direct Analysis in Real Time (DART) as ionization technique connected to an Ion Trap as a mass detector. The synthesized mixtures were evaluated for their antimycobacterial activity against four Mycobacterium strains; M. intercellulari, M. xenopi, M. cheleneoi and M. smegmatis. Variable antimycobacterial activity was revealed with the investigated mixtures and maximum activity was shown by M8, M10, M11, and M15 with MIC values of 1.5, 3.1, 6.2 and 0.09 μg/mL, respectively. Application of the indexed method of analysis on these active mixtures revealed that compounds D8, D10 and D11 may contribute to the activity of the tested mixtures.\n
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\n \n\n \n \n \n \n \n \n Rapid screening for synthetic antidiabetic drug adulteration in herbal dietary supplements using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Zhou, Z.; Zhang, J.; Zhang, W.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analyst, 136(12): 2613–2618. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhou_rapid_2011,\n\ttitle = {Rapid screening for synthetic antidiabetic drug adulteration in herbal dietary supplements using direct analysis in real time mass spectrometry},\n\tvolume = {136},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C0AN01047B},\n\tabstract = {Adulteration of herbal supplements with synthetic drugs is illegal. A rapid and reliable method which utilizes direct analysis in real time mass spectrometry (DART-MS) was developed for the identification of seven synthetic antidiabetic drugs used as adulterants in herbal dietary supplements. The supplement sample was simply extracted with methanol/water by manually shaking several times and directly analyzed using DART-MS. The presence of synthetic drug adulterants was confirmed through the accurate m/z values and MS/MS data obtained via quadruple time of flight mass spectrometry (QTOF MS). Parameters for the DART source were systematically optimized, and the limits of detection (LODs) in herbal supplement matrices were measured. This method was successfully applied to examine five commercial herbal dietary supplements, and two of them proved to be adulterated with metformin without labeling.},\n\tnumber = {12},\n\tjournal = {Analyst},\n\tauthor = {Zhou, Zhigui and Zhang, Jialing and Zhang, Wei and Bai, Yu and Liu, Huwei},\n\tyear = {2011},\n\tpages = {2613--2618},\n}\n\n\n\n
\n
\n\n\n
\n Adulteration of herbal supplements with synthetic drugs is illegal. A rapid and reliable method which utilizes direct analysis in real time mass spectrometry (DART-MS) was developed for the identification of seven synthetic antidiabetic drugs used as adulterants in herbal dietary supplements. The supplement sample was simply extracted with methanol/water by manually shaking several times and directly analyzed using DART-MS. The presence of synthetic drug adulterants was confirmed through the accurate m/z values and MS/MS data obtained via quadruple time of flight mass spectrometry (QTOF MS). Parameters for the DART source were systematically optimized, and the limits of detection (LODs) in herbal supplement matrices were measured. This method was successfully applied to examine five commercial herbal dietary supplements, and two of them proved to be adulterated with metformin without labeling.\n
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\n \n\n \n \n \n \n \n \n Surface swabbing technique for the rapid screening for pesticides using ambient pressure desorption ionization with high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Edison, S. E.; Lin, L. A.; Gamble, B. M.; Wong, J.; and Zhang, K.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(1): 127–139. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SurfacePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{edison_surface_2011,\n\ttitle = {Surface swabbing technique for the rapid screening for pesticides using ambient pressure desorption ionization with high-resolution mass spectrometry},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4831},\n\tdoi = {10.1002/rcm.4831},\n\tabstract = {A rapid screening method for pesticides has been developed to promote more efficient processing of produce entering the United States. Foam swabs were used to recover a multiclass mixture of 132 pesticides from the surfaces of grapes, apples, and oranges. The swabs were analyzed using direct analysis in real time (DART) ionization coupled with a high-resolution Exactive Orbitrap™ mass spectrometer. By using a DART helium temperature gradient from 100–350°C over 3 min, a minimal separation of analytes based on volatility differences was achieved. This, combined with the Exactive's mass resolution of 100 000, allowed the chromatographic step, along with the typical compositing and extraction steps associated with gas chromatography/mass spectrometry (GC/MS) or liquid chromatography/mass spectrometry (LC/MS) approaches, to be eliminated. Detection of 86\\% of the analytes present was consistently achieved at levels of 2 ng/g (per each apple or orange) and 10 ng/g (per grape). A resolution study was conducted with four pairs of isobaric compounds analyzed at a mass resolution of 100 000. Baseline separation was achieved with analyte ions differing in mass by 25 ppm and analyte ions with a mass difference of 10 ppm were partially resolved. In addition, field samples that had undergone traditional sample preparation using QuEChERS (quick, easy, cheap, rugged, and safe) were analyzed using both LC/MS and DART-MS and the results from the two techniques were found to be comparable in terms of identification of the pesticides present. The use of swabs greatly increased sample throughput by reducing sample preparation and analysis time. Published in 2010 by John Wiley \\& Sons, Ltd.},\n\tnumber = {1},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Edison, Sara. E. and Lin, Lora A. and Gamble, Bryan M. and Wong, Jon and Zhang, Kai},\n\tyear = {2011},\n\tkeywords = {Orbitrap},\n\tpages = {127--139},\n}\n\n\n\n
\n
\n\n\n
\n A rapid screening method for pesticides has been developed to promote more efficient processing of produce entering the United States. Foam swabs were used to recover a multiclass mixture of 132 pesticides from the surfaces of grapes, apples, and oranges. The swabs were analyzed using direct analysis in real time (DART) ionization coupled with a high-resolution Exactive Orbitrap™ mass spectrometer. By using a DART helium temperature gradient from 100–350°C over 3 min, a minimal separation of analytes based on volatility differences was achieved. This, combined with the Exactive's mass resolution of 100 000, allowed the chromatographic step, along with the typical compositing and extraction steps associated with gas chromatography/mass spectrometry (GC/MS) or liquid chromatography/mass spectrometry (LC/MS) approaches, to be eliminated. Detection of 86% of the analytes present was consistently achieved at levels of 2 ng/g (per each apple or orange) and 10 ng/g (per grape). A resolution study was conducted with four pairs of isobaric compounds analyzed at a mass resolution of 100 000. Baseline separation was achieved with analyte ions differing in mass by 25 ppm and analyte ions with a mass difference of 10 ppm were partially resolved. In addition, field samples that had undergone traditional sample preparation using QuEChERS (quick, easy, cheap, rugged, and safe) were analyzed using both LC/MS and DART-MS and the results from the two techniques were found to be comparable in terms of identification of the pesticides present. The use of swabs greatly increased sample throughput by reducing sample preparation and analysis time. Published in 2010 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Current mass spectrometry strategies for the analysis of pesticides and their metabolites in food and water matrices.\n \n \n \n \n\n\n \n Botitsi, H. V.; Garbis, S. D.; Economou, A.; and Tsipi, D. F.\n\n\n \n\n\n\n Mass Spectrometry Reviews, 30(5): 907–939. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"CurrentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{botitsi_current_2011,\n\ttitle = {Current mass spectrometry strategies for the analysis of pesticides and their metabolites in food and water matrices},\n\tvolume = {30},\n\tissn = {1098-2787},\n\turl = {http://dx.doi.org/10.1002/mas.20307},\n\tdoi = {10.1002/mas.20307},\n\tabstract = {Analysis of pesticides and their metabolites in food and water matrices continues to be an active research area closely related to food safety and environmental issues. This review discusses the most widely applied mass spectrometric (MS) approaches to pesticide residues analysis over the last few years. The main techniques for sample preparation remain solvent extraction and solid-phase extraction. The QuEChERS (Quick, Easy, Cheap, Effective, Rugged, Safe) approach is being increasingly used for the development of multi-class pesticide residues methods in various sample matrices. MS detectors—triple quadrupole (QqQ), ion-trap (IT), quadrupole linear ion trap (QqLIT), time-of-flight (TOF), and quadrupole time-of-flight (QqTOF)—have been established as powerful analytical tools sharing a primary role in the detection/quantification and/or identification/confirmation of pesticides and their metabolites. Recent developments in analytical instrumentation have enabled coupling of ultra-performance liquid chromatography (UPLC) and fast gas chromatography (GC) with MS detectors, and faster analysis for a greater number of pesticides. The newly developed “ambient-ionization” MS techniques (e.g., desorption electrospray ionization, DESI, and direct analysis in real time, DART) hyphenated with high-resolution MS platforms without liquid chromatography separation, and sometimes with minimum pre-treatment, have shown potential for pesticide residue screening. The recently introduced Orbitrap mass spectrometers can provide high resolving power and mass accuracy, to tackle complex analytical problems involved in pesticide residue analysis. © 2010 Wiley Periodicals, Inc., Mass Spec Rev 30:907–939, 2011},\n\tnumber = {5},\n\tjournal = {Mass Spectrometry Reviews},\n\tauthor = {Botitsi, Helen V. and Garbis, Spiros D. and Economou, Anastasios and Tsipi, Despina F.},\n\tyear = {2011},\n\tkeywords = {food and water, liquid and gas chromatography, mass spectrometry, pesticides},\n\tpages = {907--939},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Analysis of pesticides and their metabolites in food and water matrices continues to be an active research area closely related to food safety and environmental issues. This review discusses the most widely applied mass spectrometric (MS) approaches to pesticide residues analysis over the last few years. The main techniques for sample preparation remain solvent extraction and solid-phase extraction. The QuEChERS (Quick, Easy, Cheap, Effective, Rugged, Safe) approach is being increasingly used for the development of multi-class pesticide residues methods in various sample matrices. MS detectors—triple quadrupole (QqQ), ion-trap (IT), quadrupole linear ion trap (QqLIT), time-of-flight (TOF), and quadrupole time-of-flight (QqTOF)—have been established as powerful analytical tools sharing a primary role in the detection/quantification and/or identification/confirmation of pesticides and their metabolites. Recent developments in analytical instrumentation have enabled coupling of ultra-performance liquid chromatography (UPLC) and fast gas chromatography (GC) with MS detectors, and faster analysis for a greater number of pesticides. The newly developed “ambient-ionization” MS techniques (e.g., desorption electrospray ionization, DESI, and direct analysis in real time, DART) hyphenated with high-resolution MS platforms without liquid chromatography separation, and sometimes with minimum pre-treatment, have shown potential for pesticide residue screening. The recently introduced Orbitrap mass spectrometers can provide high resolving power and mass accuracy, to tackle complex analytical problems involved in pesticide residue analysis. © 2010 Wiley Periodicals, Inc., Mass Spec Rev 30:907–939, 2011\n
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\n \n\n \n \n \n \n \n \n Validation of Thin Layer Chromatography with AccuTOF-DART™ Detection for Forensic Drug Analysis*.\n \n \n \n \n\n\n \n Howlett, S. E.; and Steiner, R. R.\n\n\n \n\n\n\n Journal of Forensic Sciences, 56(5): 1261–1267. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{howlett_validation_2011,\n\ttitle = {Validation of {Thin} {Layer} {Chromatography} with {AccuTOF}-{DART}™ {Detection} for {Forensic} {Drug} {Analysis}*},\n\tvolume = {56},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2011.01881.x},\n\tdoi = {10.1111/j.1556-4029.2011.01881.x},\n\tabstract = {Abstract:  Thin layer chromatography (TLC) is a technique that is commonly employed in the forensic drug analysis of pharmaceutical preparations. Detection is typically accomplished using various visualization spray reagents. Conventional gas chromatography–mass spectrometry (GC-MS) analysis is typically performed to confirm the TLC results. Depending on the drugs tested and the instrument conditions required, this confirmation can take up to an hour to complete. Direct analysis in real time (DART™) is an ionization source, coupled to an accurate-mass time-of-flight mass spectrometer that has the capability to ionize materials under ambient conditions. To streamline analysis, the combination of TLC with DART™ detection is proposed to screen and subsequently identify drug compounds, all from the same TLC plate. DART™ confirmations of TLC analyses take {\\textless}10 min to complete and compare favorably to GC-MS in sensitivity and selectivity. This study validates the use of TLC-DART in the forensic identification of the components of several pharmaceutical preparations.},\n\tnumber = {5},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Howlett, Susanne E. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time, controlled substances, forensic science, forensic science; controlled substances; thin layer chromatography; direct analysis in real time; mass spectrometry; time of flight; AccuTOF, mass spectrometry, thin layer chromatography, time of flight},\n\tpages = {1261--1267},\n}\n\n\n\n
\n
\n\n\n
\n Abstract:  Thin layer chromatography (TLC) is a technique that is commonly employed in the forensic drug analysis of pharmaceutical preparations. Detection is typically accomplished using various visualization spray reagents. Conventional gas chromatography–mass spectrometry (GC-MS) analysis is typically performed to confirm the TLC results. Depending on the drugs tested and the instrument conditions required, this confirmation can take up to an hour to complete. Direct analysis in real time (DART™) is an ionization source, coupled to an accurate-mass time-of-flight mass spectrometer that has the capability to ionize materials under ambient conditions. To streamline analysis, the combination of TLC with DART™ detection is proposed to screen and subsequently identify drug compounds, all from the same TLC plate. DART™ confirmations of TLC analyses take \\textless10 min to complete and compare favorably to GC-MS in sensitivity and selectivity. This study validates the use of TLC-DART in the forensic identification of the components of several pharmaceutical preparations.\n
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\n \n\n \n \n \n \n \n \n Ambient desorption ionization mass spectrometry (DART, DESI) and its bioanalytical applications.\n \n \n \n \n\n\n \n Morlock, G.\n\n\n \n\n\n\n Bioanalytical Reviews, 3(1): 1–9. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{morlock_ambient_2011,\n\ttitle = {Ambient desorption ionization mass spectrometry ({DART}, {DESI}) and its bioanalytical applications},\n\tvolume = {3},\n\tissn = {1867-2086},\n\turl = {http://dx.doi.org/10.1007/s12566-010-0019-5},\n\tdoi = {10.1007/s12566-010-0019-5},\n\tabstract = {In recent years, ambient desorption ionization techniques for mass spectrometry were introduced. Among them, the most established techniques are Direct Analysis in Real Time (DART) and Desorption Electrospray Ionization (DESI). Therefore, the current review focuses on the bioanalytical applications of ambient desorption ionization techniques by the example of DART and DESI mass spectrometry. The potential and also limitations of both ambient mass spectrometry (MS) techniques in such areas, as identification and quantitation of small molecules, coupling DART-MS and DESI-MS with planar chromatography, protein/peptide analysis, as well as molecular imaging applications, are discussed.},\n\tnumber = {1},\n\tjournal = {Bioanalytical Reviews},\n\tauthor = {Morlock, Gertrud},\n\tyear = {2011},\n\tkeywords = {Ambient mass spectrometry, Bioanalytical methods, Chemistry and Materials Science, Desorption electrospray ionization – DESI, Direct analysis in real time – DART, identification, quantitation},\n\tpages = {1--9},\n}\n\n\n\n
\n
\n\n\n
\n In recent years, ambient desorption ionization techniques for mass spectrometry were introduced. Among them, the most established techniques are Direct Analysis in Real Time (DART) and Desorption Electrospray Ionization (DESI). Therefore, the current review focuses on the bioanalytical applications of ambient desorption ionization techniques by the example of DART and DESI mass spectrometry. The potential and also limitations of both ambient mass spectrometry (MS) techniques in such areas, as identification and quantitation of small molecules, coupling DART-MS and DESI-MS with planar chromatography, protein/peptide analysis, as well as molecular imaging applications, are discussed.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time coupled with dried spot sampling for bioanalysis in a drug-discovery setting.\n \n \n \n \n\n\n \n Crawford, E.; Gordon, J.; Wu, J.; Musselman, B.; Liu, R.; and Yu, S.\n\n\n \n\n\n\n Bioanalysis, 3(11): 1217–1226. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{crawford_direct_2011,\n\ttitle = {Direct analysis in real time coupled with dried spot sampling for bioanalysis in a drug-discovery setting},\n\tvolume = {3},\n\tissn = {1757-6180},\n\turl = {http://dx.doi.org/10.4155/bio.11.99},\n\tdoi = {10.4155/bio.11.99},\n\tabstract = {Background: Conventional mouse or rat pharmacokinetic/toxicokinetic (PK/TK) studies frequently require sacrifice or use of multiple animals for a full time-course in order to obtain adequate blood volume. Currently accepted LC–MS/MS analyses require tedious sample preparation and large blood volume, therefore, a bioanalytical method with a simpler blood-sampling procedure using fewer animals, lower sample volume and no additional sample preparation is desirable. Results: We have developed a method that combines the direct analysis in real time (DART) open-air ambient ionization source and MS/MS to directly analyze dried blood spots (DBS) on glass from low volume whole blood samples without additional sample preparation or manipulation of the spots. Single mouse serial bleeding was performed for sample collection for DART-MS/MS and the results were comparable to the conventional terminal bleeding method for LC–MS/MS. Conclusion: The DART-MS/MS method was applied to DBS sampling for PK/TK studies and also for in vitro screening of absorption, distribution, metabolism and excretion properties. The results from the DART-MS/MS approach correlated well with the LC–MS/MS analyses for comparison.},\n\tnumber = {11},\n\tjournal = {Bioanalysis},\n\tauthor = {Crawford, Elizabeth and Gordon, Justin and Wu, Jing-Tao and Musselman, Brian and Liu, Ray and Yu, Shaoxia},\n\tyear = {2011},\n\tpages = {1217--1226},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Background: Conventional mouse or rat pharmacokinetic/toxicokinetic (PK/TK) studies frequently require sacrifice or use of multiple animals for a full time-course in order to obtain adequate blood volume. Currently accepted LC–MS/MS analyses require tedious sample preparation and large blood volume, therefore, a bioanalytical method with a simpler blood-sampling procedure using fewer animals, lower sample volume and no additional sample preparation is desirable. Results: We have developed a method that combines the direct analysis in real time (DART) open-air ambient ionization source and MS/MS to directly analyze dried blood spots (DBS) on glass from low volume whole blood samples without additional sample preparation or manipulation of the spots. Single mouse serial bleeding was performed for sample collection for DART-MS/MS and the results were comparable to the conventional terminal bleeding method for LC–MS/MS. Conclusion: The DART-MS/MS method was applied to DBS sampling for PK/TK studies and also for in vitro screening of absorption, distribution, metabolism and excretion properties. The results from the DART-MS/MS approach correlated well with the LC–MS/MS analyses for comparison.\n
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\n \n\n \n \n \n \n \n \n Practical considerations for the rapid screening for pesticides using ambient pressure desorption ionisation with high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Edison, S.; Lin, L.; and Parrales, L.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 28(10): 1393–1404. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PracticalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{edison_practical_2011,\n\ttitle = {Practical considerations for the rapid screening for pesticides using ambient pressure desorption ionisation with high-resolution mass spectrometry},\n\tvolume = {28},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2011.596165},\n\tdoi = {10.1080/19440049.2011.596165},\n\tabstract = {A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80\\% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.\nA rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80\\% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.},\n\tnumber = {10},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Edison, S.E. and Lin, L.A. and Parrales, L.},\n\tyear = {2011},\n\tpages = {1393--1404},\n}\n\n\n\n
\n
\n\n\n
\n A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode. A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.\n
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\n \n\n \n \n \n \n \n \n New approach to detecting counterfeit drugs in tablets by DART mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E.; Bochkov, P.; Zatonskii, G.; and Abramovich, R.\n\n\n \n\n\n\n Pharmaceutical Chemistry Journal, 45(5): 306–308. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"NewPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{chernetsova_new_2011,\n\ttitle = {New approach to detecting counterfeit drugs in tablets by {DART} mass spectrometry},\n\tvolume = {45},\n\tissn = {0091-150X},\n\turl = {http://dx.doi.org/10.1007/s11094-011-0622-y},\n\tabstract = {The possibility of using DART mass spectrometry for the identification of active ingredients in tableted drugs has been studied. Analytical results for some drugs such as glycin, nootropyl, anaprilin, mexidol, and biseptol are presented. The benefits and limitations of DART mass spectrometry as applied to fast screening of tableted pharmaceuticals for detecting counterfeits are discussed.},\n\tnumber = {5},\n\tjournal = {Pharmaceutical Chemistry Journal},\n\tauthor = {Chernetsova, E. and Bochkov, P. and Zatonskii, G. and Abramovich, R.},\n\tyear = {2011},\n\tpages = {306--308},\n}\n\n\n\n
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\n The possibility of using DART mass spectrometry for the identification of active ingredients in tableted drugs has been studied. Analytical results for some drugs such as glycin, nootropyl, anaprilin, mexidol, and biseptol are presented. The benefits and limitations of DART mass spectrometry as applied to fast screening of tableted pharmaceuticals for detecting counterfeits are discussed.\n
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\n \n\n \n \n \n \n \n \n Clafication of the composition of [M+18] ions in DART mass spectra of polyethylene glycol using high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E.; Ovcharov, M.; Zatonskii, G.; Abramovich, R.; and Revelskii, I.\n\n\n \n\n\n\n Journal of Analytical Chemistry, 66(13): 1348–1351. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ClaficationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_clafication_2011,\n\ttitle = {Clafication of the composition of [{M}+18] ions in {DART} mass spectra of polyethylene glycol using high-resolution mass spectrometry},\n\tvolume = {66},\n\tissn = {1061-9348},\n\turl = {http://dx.doi.org/10.1134/S1061934811130016},\n\tabstract = {10.1134/S1061934811130016},\n\tnumber = {13},\n\tjournal = {Journal of Analytical Chemistry},\n\tauthor = {Chernetsova, E. and Ovcharov, M. and Zatonskii, G. and Abramovich, R. and Revelskii, I.},\n\tyear = {2011},\n\tpages = {1348--1351},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n 10.1134/S1061934811130016\n
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\n \n\n \n \n \n \n \n \n Thin Layer Chromatography/Plasma Assisted Multiwavelength Laser Desorption Ionization Mass Spectrometry for Facile Separation and Selective Identification of Low Molecular Weight Compounds.\n \n \n \n \n\n\n \n Zhang, J.; Zhou, Z.; Yang, J.; Zhang, W.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Anal. Chem., 84(3): 1496–1503. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ThinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zhang_thin_2011,\n\ttitle = {Thin {Layer} {Chromatography}/{Plasma} {Assisted} {Multiwavelength} {Laser} {Desorption} {Ionization} {Mass} {Spectrometry} for {Facile} {Separation} and {Selective} {Identification} of {Low} {Molecular} {Weight} {Compounds}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac202732y},\n\tdoi = {10.1021/ac202732y},\n\tabstract = {A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.\nA novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.},\n\tnumber = {3},\n\tjournal = {Anal. Chem.},\n\tauthor = {Zhang, Jialing and Zhou, Zhigui and Yang, Jianwang and Zhang, Wei and Bai, Yu and Liu, Huwei},\n\tyear = {2011},\n\tkeywords = {DART, LDI, laser desorption, TLC},\n\tpages = {1496--1503},\n}\n\n\n\n
\n
\n\n\n
\n A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2. A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.\n
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\n \n\n \n \n \n \n \n \n Qualitative Analysis of Tackifier Resins in Pressure Sensitive Adhesives Using Direct Analysis in Real Time Time-of-Flight Mass Spectrometry.\n \n \n \n \n\n\n \n Mess, A.; Vietzke, J.; Rapp, C.; and Francke, W.\n\n\n \n\n\n\n Anal. Chem., 83(19): 7323–7330. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"QualitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{mess_qualitative_2011,\n\ttitle = {Qualitative {Analysis} of {Tackifier} {Resins} in {Pressure} {Sensitive} {Adhesives} {Using} {Direct} {Analysis} in {Real} {Time} {Time}-of-{Flight} {Mass} {Spectrometry}},\n\tvolume = {83},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac2011608},\n\tdoi = {10.1021/ac2011608},\n\tabstract = {Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1\\% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.\nTackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1\\% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.},\n\tnumber = {19},\n\tjournal = {Anal. Chem.},\n\tauthor = {Mess, Aylin and Vietzke, Jens-Peter and Rapp, Claudius and Francke, Wittko},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {7323--7330},\n}\n\n\n\n
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\n Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs. Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.\n
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\n \n\n \n \n \n \n \n Study on rapid and direct analysis of illegally added six PDE5 inhibitors in health food by DART-MS/MS method.\n \n \n \n\n\n \n CHENG, Xian-lon; LI ,Wen-jie; LI, Wei-jian; XIAO, Xin-yue; LIN, Rui-chao; and WEI, Feng\n\n\n \n\n\n\n Chinese Journal of Pharmaceutical Analysis, 31: 438–442. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{cheng_xian-lon_study_2011,\n\ttitle = {Study on rapid and direct analysis of illegally added six {PDE5} inhibitors in health food by {DART}-{MS}/{MS} method},\n\tvolume = {31},\n\tdoi = {CNKI:SUN:YWFX.0.2011-03-005},\n\tabstract = {To develop a directed analysis of 6 phosphodiesterase 5(PDE5)inhibitors:sildenafil,tadalafil,acetildenafil,hydroxyhomosildenafil,aminotadalafil,pseudo-vardenfil in health food.Methods:Triple quadrupol MS with DART ion souce was used to perform the direct analysis.The DART sampler delivery rate was 0.2 mm·s-1.The temperature of carry gas of DART was 450 ℃.The capillary voltage was kept at 4 kV.The temperature of the drying gas of triple quadrupol MS was set at 350 ℃.The flow rate of the drying gas of triple quadrupol MS was set at 10 L·min-1,respectively.Product ion scan mode was used with scan range from 50-550 amu.The precursor ions were set as m/z 475.1(sildenafil),m/z 467.2(acetildenafil),m/z 505.1(hydroxyhomosildenafil),m/z 390.1(tadalafil),m/z 391.2(aminotadalafil),m/z 460.3(pseudo-vardenfil).The identification was performed by comparing the mass spectrum of detected peak in samples with the mass spectrum of peak in reference substance.Results:The limit of detection for each of 6 PDE5 inhibitors was under 1 μg·g-1.Sildenafil was detected in 6 samples,and tadalafil was detected in 1 sample.Conclusion:The method is employed to simultaneous detection of 6 PDE5 inhibitors in health food.},\n\tjournal = {Chinese Journal of Pharmaceutical Analysis},\n\tauthor = {{CHENG, Xian-lon} and {LI ,Wen-jie} and {LI, Wei-jian} and {XIAO, Xin-yue} and {LIN, Rui-chao} and {WEI, Feng}},\n\tyear = {2011},\n\tpages = {438--442},\n}\n\n\n\n
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\n To develop a directed analysis of 6 phosphodiesterase 5(PDE5)inhibitors:sildenafil,tadalafil,acetildenafil,hydroxyhomosildenafil,aminotadalafil,pseudo-vardenfil in health food.Methods:Triple quadrupol MS with DART ion souce was used to perform the direct analysis.The DART sampler delivery rate was 0.2 mm·s-1.The temperature of carry gas of DART was 450 ℃.The capillary voltage was kept at 4 kV.The temperature of the drying gas of triple quadrupol MS was set at 350 ℃.The flow rate of the drying gas of triple quadrupol MS was set at 10 L·min-1,respectively.Product ion scan mode was used with scan range from 50-550 amu.The precursor ions were set as m/z 475.1(sildenafil),m/z 467.2(acetildenafil),m/z 505.1(hydroxyhomosildenafil),m/z 390.1(tadalafil),m/z 391.2(aminotadalafil),m/z 460.3(pseudo-vardenfil).The identification was performed by comparing the mass spectrum of detected peak in samples with the mass spectrum of peak in reference substance.Results:The limit of detection for each of 6 PDE5 inhibitors was under 1 μg·g-1.Sildenafil was detected in 6 samples,and tadalafil was detected in 1 sample.Conclusion:The method is employed to simultaneous detection of 6 PDE5 inhibitors in health food.\n
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\n \n\n \n \n \n \n \n \n Evaluation of direct analysis in real time mass spectrometry for onsite monitoring of batch slurry reactions.\n \n \n \n \n\n\n \n Cho, D. S.; Gibson, S. C.; Bhandari, D.; McNally, M. E.; Hoffman, R. M.; Cook, K. D.; and Song, L.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(23): 3575–3580. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cho_evaluation_2011,\n\ttitle = {Evaluation of direct analysis in real time mass spectrometry for onsite monitoring of batch slurry reactions},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5269},\n\tdoi = {10.1002/rcm.5269},\n\tabstract = {Batch slurry reactions are widely used in the industrial manufacturing of chemicals, pharmaceuticals, petrochemicals and polymers. However, onsite monitoring of batch slurry reactions is still not feasible in production plants due to the challenge in analyzing heterogeneous samples without complicated sample preparation procedures. In this study, direct analysis in real time mass spectrometry (DART-MS) has been evaluated for the onsite monitoring of a model batch slurry reaction. The results suggested that automation of the sampling process of DART-MS is important to achieve quantitative results. With a sampling technique of manual sample deposition on melting point capillaries followed by automatic sample introduction across the helium beam, relative standard deviation (RSD) of the protonated molecule signals from the reaction product of the model batch slurry reaction ranged from 6 to 30\\%. This RSD range is improved greatly over a sampling technique of manual sample deposition followed by manual sample introduction where the RSDs are up to 110\\%. Furthermore, with the semi-automated sampling approach, semi-quantitative analysis of slurry samples has been achieved. Better quantification is expected with a fully automated sampling approach. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {23},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Cho, David S. and Gibson, Stephen C. and Bhandari, Deepak and McNally, Mary Ellen and Hoffman, Ron M. and Cook, Kelsey D. and Song, Liguo},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {3575--3580},\n}\n\n\n\n
\n
\n\n\n
\n Batch slurry reactions are widely used in the industrial manufacturing of chemicals, pharmaceuticals, petrochemicals and polymers. However, onsite monitoring of batch slurry reactions is still not feasible in production plants due to the challenge in analyzing heterogeneous samples without complicated sample preparation procedures. In this study, direct analysis in real time mass spectrometry (DART-MS) has been evaluated for the onsite monitoring of a model batch slurry reaction. The results suggested that automation of the sampling process of DART-MS is important to achieve quantitative results. With a sampling technique of manual sample deposition on melting point capillaries followed by automatic sample introduction across the helium beam, relative standard deviation (RSD) of the protonated molecule signals from the reaction product of the model batch slurry reaction ranged from 6 to 30%. This RSD range is improved greatly over a sampling technique of manual sample deposition followed by manual sample introduction where the RSDs are up to 110%. Furthermore, with the semi-automated sampling approach, semi-quantitative analysis of slurry samples has been achieved. Better quantification is expected with a fully automated sampling approach. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Direct analysis of dithiocarbamate fungicides in fruit by ambient mass spectrometry.\n \n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Zomer, P.; Mol, H.; and Hajslova, J.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 28(10): 1372–1382. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cajka_direct_2011,\n\ttitle = {Direct analysis of dithiocarbamate fungicides in fruit by ambient mass spectrometry},\n\tvolume = {28},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2011.590456},\n\tdoi = {10.1080/19440049.2011.590456},\n\tabstract = {Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.\nDithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.},\n\tnumber = {10},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Cajka, Tomas and Riddellova, Katerina and Zomer, Paul and Mol, Hans and Hajslova, Jana},\n\tyear = {2011},\n\tpages = {1372--1382},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained. Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.\n
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\n \n\n \n \n \n \n \n \n Identification of ambiguous cubeb fruit by DART-MS-based fingerprinting combined with principal component analysis.\n \n \n \n \n\n\n \n Kim, H. J.; Baek, W. S.; and Jang, Y. P.\n\n\n \n\n\n\n Food Chemistry, 129(3): 1305–1310. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kim_identification_2011,\n\ttitle = {Identification of ambiguous cubeb fruit by {DART}-{MS}-based fingerprinting combined with principal component analysis},\n\tvolume = {129},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814611007862},\n\tdoi = {10.1016/j.foodchem.2011.05.083},\n\tabstract = {The cubeb berry has been used as a spice and medicinal herb since medieval times. In China, Litsea cubeba (Lauraceae) has been designated as the cubeb tree; in other countries, Piper cubeba (Piperaceae) is considered as the cubeb. Since most cubeb berries in the Korean market are imported from China, there is a need to develop an efficient analytical method for the identification of the origin of cubeb fruit. Thirty-two commercial cubeb samples were collected from China, Korea, and Indonesia, and direct analysis in real time mass spectrometry (DART-MS) was employed to obtain a chemical fingerprint of each sample for multivariate analysis. Cubebene was identified as a marker molecule for P. cubeba, and all cubeb samples from Korean markets were identified as the fruit of L. cubeba. DART-MS fingerprinting together with principal component analysis can be applied as a promising method for rapid identification and/or quality control of cubeb berries.},\n\tnumber = {3},\n\tjournal = {Food Chemistry},\n\tauthor = {Kim, Hye Jin and Baek, Wan Sook and Jang, Young Pyo},\n\tyear = {2011},\n\tkeywords = {Cubeb berries, Cubeb berries; Piper cubeba; Litsea cubeba; DART-MS; Principal component analysis; AccuTOF, DART-MS, Litsea cubeba, Piper cubeba, Principal component analysis},\n\tpages = {1305--1310},\n}\n\n\n\n
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\n The cubeb berry has been used as a spice and medicinal herb since medieval times. In China, Litsea cubeba (Lauraceae) has been designated as the cubeb tree; in other countries, Piper cubeba (Piperaceae) is considered as the cubeb. Since most cubeb berries in the Korean market are imported from China, there is a need to develop an efficient analytical method for the identification of the origin of cubeb fruit. Thirty-two commercial cubeb samples were collected from China, Korea, and Indonesia, and direct analysis in real time mass spectrometry (DART-MS) was employed to obtain a chemical fingerprint of each sample for multivariate analysis. Cubebene was identified as a marker molecule for P. cubeba, and all cubeb samples from Korean markets were identified as the fruit of L. cubeba. DART-MS fingerprinting together with principal component analysis can be applied as a promising method for rapid identification and/or quality control of cubeb berries.\n
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\n \n\n \n \n \n \n \n \n High-performance liquid chromatography coupled to direct analysis in real time mass spectrometry: Investigations on gradient elution and influence of complex matrices on signal intensities.\n \n \n \n \n\n\n \n Beißmann, S.; Buchberger, W.; Hertsens, R.; and Klampfl, C. W.\n\n\n \n\n\n\n Journal of Chromatography A, 1218(31): 5180–5186. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"High-performancePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{beismann_high-performance_2011,\n\ttitle = {High-performance liquid chromatography coupled to direct analysis in real time mass spectrometry: {Investigations} on gradient elution and influence of complex matrices on signal intensities},\n\tvolume = {1218},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967311007692},\n\tdoi = {10.1016/j.chroma.2011.05.092},\n\tnumber = {31},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Beißmann, Susanne and Buchberger, Wolfgang and Hertsens, Robert and Klampfl, Christian W.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time, HPLC, Hyphenated methods},\n\tpages = {5180--5186},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Versatile Method for the Detection of Covalently Bound Substrates on Solid Supports by DART Mass Spectrometry.\n \n \n \n \n\n\n \n Sanchez, L. M.; Curtis, M. E.; Bracamonte, B. E.; Kurita, K. L.; Navarro, G.; Sparkman, O. D.; and Linington, R. G.\n\n\n \n\n\n\n Organic Letters, 13(15): 3770–3773. June 2011.\n \n\n\n\n
\n\n\n\n \n \n \"VersatilePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sanchez_versatile_2011,\n\ttitle = {Versatile {Method} for the {Detection} of {Covalently} {Bound} {Substrates} on {Solid} {Supports} by {DART} {Mass} {Spectrometry}},\n\tvolume = {13},\n\tissn = {1523-7060},\n\turl = {http://dx.doi.org/10.1021/ol201404v},\n\tdoi = {10.1021/ol201404v},\n\tabstract = {Analysis of substrates directly on solid phase resins without the need for separate cleavage conditions remains an outstanding challenge in the field of solid phase synthesis. We now present the first example of simultaneous cleavage and mass spectrometric analysis of peptides from solid supports using direct analysis in real time (DART) mass spectrometry. We have shown that this method is compatible with a diverse array of solid phase resins and is suitable for analysis of both peptides and organic substrates.},\n\tnumber = {15},\n\turldate = {2013-06-05},\n\tjournal = {Organic Letters},\n\tauthor = {Sanchez, Laura M. and Curtis, Matthew E. and Bracamonte, Bianca E. and Kurita, Kenji L. and Navarro, Gabriel and Sparkman, O. David and Linington, Roger G.},\n\tmonth = jun,\n\tyear = {2011},\n\tpages = {3770--3773},\n}\n\n\n\n
\n
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\n Analysis of substrates directly on solid phase resins without the need for separate cleavage conditions remains an outstanding challenge in the field of solid phase synthesis. We now present the first example of simultaneous cleavage and mass spectrometric analysis of peptides from solid supports using direct analysis in real time (DART) mass spectrometry. We have shown that this method is compatible with a diverse array of solid phase resins and is suitable for analysis of both peptides and organic substrates.\n
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\n \n\n \n \n \n \n \n Utilizing DART Mass Spectrometry to Pinpoint Halogenated Metabolites from a Marine Invertebrate-Derived Fungus.\n \n \n \n\n\n \n Watts, K. R.; Loveridge, S. T.; Tenney, K.; Media, J.; Valeriote, F. A.; and Crews, P.\n\n\n \n\n\n\n Journal of Organic Chemistry, 76(15): 6201–6208. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{watts_utilizing_2011,\n\ttitle = {Utilizing {DART} {Mass} {Spectrometry} to {Pinpoint} {Halogenated} {Metabolites} from a {Marine} {Invertebrate}-{Derived} {Fungus}},\n\tvolume = {76},\n\tabstract = {Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using Direct Analysis in\nReal Time (DART) Mass Spectrometry, these compounds were initially detected from spores of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogs, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.},\n\tnumber = {15},\n\tjournal = {Journal of Organic Chemistry},\n\tauthor = {Watts, Katharine R. and Loveridge, Steven T. and Tenney, Karen and Media, Joseph and Valeriote, Frederick A. and Crews, Phillip},\n\tyear = {2011},\n\tpages = {6201--6208},\n}\n\n\n\n
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\n\n\n
\n Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using Direct Analysis in Real Time (DART) Mass Spectrometry, these compounds were initially detected from spores of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogs, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.\n
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\n \n\n \n \n \n \n \n In-situ and Rapid Identification of Tea by Diect Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Zhang, J.; Zhang, W.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Chinese Journal of Chromatography, 29(7): 681–686. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{zhang_-situ_2011,\n\ttitle = {In-situ and {Rapid} {Identification} of {Tea} by {Diect} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {29},\n\tabstract = {By applying an ambient mass spectrometric method-direct analysis in real time mass spectrometry (DART MS), a method was developed for rapid identification of the principal constituents in different kinds of tea. The identification of different kinds of tea was also achieved by characteristic mass spectrometric signals. Under atmospheric pressure, DART MS method does not require any sample preparation, greatly reduces the analysis time, realizes the in situ, rapid, accurate, and high-throughput analysis.},\n\tnumber = {7},\n\tjournal = {Chinese Journal of Chromatography},\n\tauthor = {Zhang, J. and Zhang, W. and Zhou, Z. and Bai, Y. and Liu, H.},\n\tyear = {2011},\n\tkeywords = {ion trap; XCT},\n\tpages = {681--686},\n}\n\n\n\n
\n
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\n By applying an ambient mass spectrometric method-direct analysis in real time mass spectrometry (DART MS), a method was developed for rapid identification of the principal constituents in different kinds of tea. The identification of different kinds of tea was also achieved by characteristic mass spectrometric signals. Under atmospheric pressure, DART MS method does not require any sample preparation, greatly reduces the analysis time, realizes the in situ, rapid, accurate, and high-throughput analysis.\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry employing a DART ion source for metabolomic fingerprinting/profiling: a powerful tool for beer origin recognition.\n \n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Metabolomics, 7(4): 500–508. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cajka_ambient_2011,\n\ttitle = {Ambient mass spectrometry employing a {DART} ion source for metabolomic fingerprinting/profiling: a powerful tool for beer origin recognition},\n\tvolume = {7},\n\tissn = {1573-3882},\n\turl = {http://dx.doi.org/10.1007/s11306-010-0266-z},\n\tdoi = {10.1007/s11306-010-0266-z},\n\tabstract = {A metabolomic fingerprinting/profiling generated by ambient mass spectrometry (MS) employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) was employed as a tool for beer origin recognition. In a first step, the DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in beer samples (direct measurement, no sample preparation). In the next step, metabolomic profiles (mass spectra) of a large set of different beer brands (Trappist and non-Trappist specialty beers) were acquired. In the final phase, the experimental data were analyzed using partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) with the aim of distinguishing (i) the beers labeled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. The best prediction ability was obtained for the model that distinguished the group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided ≥95\\% correct classification. The current study showed that DART–TOFMS metabolomic fingerprinting/profiling is a powerful analytical strategy enabling quality monitoring/authenticity assessment to be conducted in real time.},\n\tnumber = {4},\n\tjournal = {Metabolomics},\n\tauthor = {Cajka, Tomas and Riddellova, Katerina and Tomaniova, Monika and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {Beer; Authenticity; Traceability; Direct analysis in real time; Mass spectrometry; Multivariate analysis; Metabolomic fingerprinting/profiling; AccuTOF},\n\tpages = {500--508},\n}\n\n\n\n
\n
\n\n\n
\n A metabolomic fingerprinting/profiling generated by ambient mass spectrometry (MS) employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) was employed as a tool for beer origin recognition. In a first step, the DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in beer samples (direct measurement, no sample preparation). In the next step, metabolomic profiles (mass spectra) of a large set of different beer brands (Trappist and non-Trappist specialty beers) were acquired. In the final phase, the experimental data were analyzed using partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) with the aim of distinguishing (i) the beers labeled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. The best prediction ability was obtained for the model that distinguished the group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided ≥95% correct classification. The current study showed that DART–TOFMS metabolomic fingerprinting/profiling is a powerful analytical strategy enabling quality monitoring/authenticity assessment to be conducted in real time.\n
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\n \n\n \n \n \n \n \n \n Thin layer chromatography/mass spectrometry.\n \n \n \n \n\n\n \n Cheng, S.; Huang, M.; and Shiea, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1218(19): 2700–2711. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ThinPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cheng_thin_2011,\n\ttitle = {Thin layer chromatography/mass spectrometry},\n\tvolume = {1218},\n\turl = {http://dx.doi.org/10.1016/j.chroma.2011.01.077},\n\tabstract = {Thin layer chromatography (TLC)—a simple, cost-effective, and easy-to-operate planar chromatographic technique—has been used in general chemistry laboratories for several decades to routinely separate chemical and biochemical compounds. Traditionally, chemical and optical methods are employed to visualize the analyte spots on the TLC plate. Because direct identification and structural characterization of the analytes on the TLC plate through these methods are not possible, there has been long-held interest in the development of interfaces that allow TLC to be combined with mass spectrometry (MS)—one of the most efficient analytical tools for structural elucidation. So far, many different TLC–MS techniques have been reported in the literature; some are commercially available. According to differences in their operational processes, the existing TLC–MS systems can be classified into two categories: (i) indirect mass spectrometric analyses, performed by scraping, extracting, purifying, and concentrating the analyte from the TLC plate and then directing it into the mass spectrometer's ion source for further analysis; (ii) direct mass spectrometric analyses, where the analyte on the TLC plate is characterized directly through mass spectrometry without the need for scraping, extraction, or concentration processes. Conventionally, direct TLC–MS analysis is performed under vacuum, but the development of ambient mass spectrometry has allowed analytes on TLC plates to be characterized under atmospheric pressure. Thus, TLC–MS techniques can also be classified into two other categories according to the working environment of the ion source: vacuum-based TLC–MS or ambient TLC–MS. This review article describes the state of the art of TLC–MS techniques used for indirect and direct characterization of analytes on the surfaces of TLC plates.},\n\tnumber = {19},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Cheng, Sy-Chyi and Huang, Min-Zong and Shiea, Jentaie},\n\tyear = {2011},\n\tkeywords = {Review; TLC–MS; Ambient ionization; Vacuum-based ionization; Desorption/ionization; Direct sampling; Indirect sampling},\n\tpages = {2700--2711},\n}\n\n\n\n
\n
\n\n\n
\n Thin layer chromatography (TLC)—a simple, cost-effective, and easy-to-operate planar chromatographic technique—has been used in general chemistry laboratories for several decades to routinely separate chemical and biochemical compounds. Traditionally, chemical and optical methods are employed to visualize the analyte spots on the TLC plate. Because direct identification and structural characterization of the analytes on the TLC plate through these methods are not possible, there has been long-held interest in the development of interfaces that allow TLC to be combined with mass spectrometry (MS)—one of the most efficient analytical tools for structural elucidation. So far, many different TLC–MS techniques have been reported in the literature; some are commercially available. According to differences in their operational processes, the existing TLC–MS systems can be classified into two categories: (i) indirect mass spectrometric analyses, performed by scraping, extracting, purifying, and concentrating the analyte from the TLC plate and then directing it into the mass spectrometer's ion source for further analysis; (ii) direct mass spectrometric analyses, where the analyte on the TLC plate is characterized directly through mass spectrometry without the need for scraping, extraction, or concentration processes. Conventionally, direct TLC–MS analysis is performed under vacuum, but the development of ambient mass spectrometry has allowed analytes on TLC plates to be characterized under atmospheric pressure. Thus, TLC–MS techniques can also be classified into two other categories according to the working environment of the ion source: vacuum-based TLC–MS or ambient TLC–MS. This review article describes the state of the art of TLC–MS techniques used for indirect and direct characterization of analytes on the surfaces of TLC plates.\n
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\n \n\n \n \n \n \n \n Simple and Rapid Screening for Methamphetamine and 3,4-Methylene- dioxymethamphetamine (MDMA) and Their Metabolites in Urine Using Direct Analysis in Real Time (DART)-TOFMS.\n \n \n \n\n\n \n Kawamura, M.; Kikura-Hanajiri, R.; and Goda, Y.\n\n\n \n\n\n\n Yakugaku Zasshi, 131(5): 827–833. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{kawamura_simple_2011,\n\ttitle = {Simple and {Rapid} {Screening} for {Methamphetamine} and 3,4-{Methylene}- dioxymethamphetamine ({MDMA}) and {Their} {Metabolites} in {Urine} {Using} {Direct} {Analysis} in {Real} {Time} ({DART})-{TOFMS}},\n\tvolume = {131},\n\tdoi = {10.1248/yakushi.131.827},\n\tabstract = {An ionization technique, direct analysis in real time (DART) has recently been developed for the ambient ionization of a variety samples. The DART coupled with time-of-flight mass spectrometry (TOFMS) would be useful as a simple and rapid screening for the targeted compounds in various samples, because it provides the molecular information of these compounds without time-consuming extraction. In this study, we investigated rapid screening methods of illicit drugs and their metabolites, such as methamphetamine (MA), 3,4-methylenedioxymethamphetamine (MDMA), amphetamine (AP) and 3,4-methylenedioxyamphetamine (MDA) in human urine using DART-TOFMS. As serious matrix effects caused by urea in urine samples and ionizations of the targeted compounds were greatly suppressed in the DART-TOFMS analyses, simple pretreatment methods to remove the urea from the samples were investigated. When a pipette tip-type solid-phase extraction with a dichloromethane and isopropanol mixed solution as an eluent was used for the pretreatment, the limits of detection (LODs) of 4 compounds added to control urine samples were 0.25 μg/ml. On the other hand, the LODs of these compounds were 0.5 μg/ml by a liquid-liquid extraction using a dichloromethane and hexane mixed solution. In both extractions, the recoveries of 4 compounds from urine samples were over 70\\% and these extraction methods showed good linearity in the range of 0.5-5 μg/ml by GC-MS analyses. In conclusion, our proposed method using DART-TOFMS could simultaneously detect MA, MDMA and their metabolites in urine at 0.5 μg/ml without time-consuming pretreatment steps. Therefore it would be useful for screening drugs in urine with the molecular information.},\n\tnumber = {5},\n\tjournal = {Yakugaku Zasshi},\n\tauthor = {Kawamura, M. and Kikura-Hanajiri, R. and Goda, Y.},\n\tyear = {2011},\n\tkeywords = {direct analysis in real time; methamphetamine; 3,4-methylenedioxymethamphetamine; urine; time-of-flight mass spectrometry; AccuTOF},\n\tpages = {827--833},\n}\n\n\n\n
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\n An ionization technique, direct analysis in real time (DART) has recently been developed for the ambient ionization of a variety samples. The DART coupled with time-of-flight mass spectrometry (TOFMS) would be useful as a simple and rapid screening for the targeted compounds in various samples, because it provides the molecular information of these compounds without time-consuming extraction. In this study, we investigated rapid screening methods of illicit drugs and their metabolites, such as methamphetamine (MA), 3,4-methylenedioxymethamphetamine (MDMA), amphetamine (AP) and 3,4-methylenedioxyamphetamine (MDA) in human urine using DART-TOFMS. As serious matrix effects caused by urea in urine samples and ionizations of the targeted compounds were greatly suppressed in the DART-TOFMS analyses, simple pretreatment methods to remove the urea from the samples were investigated. When a pipette tip-type solid-phase extraction with a dichloromethane and isopropanol mixed solution as an eluent was used for the pretreatment, the limits of detection (LODs) of 4 compounds added to control urine samples were 0.25 μg/ml. On the other hand, the LODs of these compounds were 0.5 μg/ml by a liquid-liquid extraction using a dichloromethane and hexane mixed solution. In both extractions, the recoveries of 4 compounds from urine samples were over 70% and these extraction methods showed good linearity in the range of 0.5-5 μg/ml by GC-MS analyses. In conclusion, our proposed method using DART-TOFMS could simultaneously detect MA, MDMA and their metabolites in urine at 0.5 μg/ml without time-consuming pretreatment steps. Therefore it would be useful for screening drugs in urine with the molecular information.\n
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\n \n\n \n \n \n \n \n Structural Elucidation of Direct Analysis in Real Time Ionized Nerve Agent Simulants with Infrared Multiple Photon Dissociation Spectroscopy.\n \n \n \n\n\n \n Rummel, J. L.; Steill, J. D.; Oomens, J.; Contreras, C. S.; Pearson, W. L.; Szczepanski, J.; Powell, D. H.; and Eyler, J. R.\n\n\n \n\n\n\n Analytical Chemistry, 83(11): 4045–4052. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rummel_structural_2011,\n\ttitle = {Structural {Elucidation} of {Direct} {Analysis} in {Real} {Time} {Ionized} {Nerve} {Agent} {Simulants} with {Infrared} {Multiple} {Photon} {Dissociation} {Spectroscopy}},\n\tvolume = {83},\n\tdoi = {10.1021/ac102973a},\n\tabstract = {Infrared multiple photon dissociation (IRMPD) was used to generate vibrational spectra of ions produced with a direct analysis in real time (DART) ionization source coupled to a 4.7 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The location of protonation on the nerve agent simulants diisopropyl methylphosphonate (DIMP) and dimethyl methylphosphonate (DMMP) was studied while solutions of the compounds were introduced for extended periods of time with a syringe pump. Theoretical vibrational spectra were generated with density functional theory calculations. Visual comparison of experimental mid-IR IRMPD spectra and theoretical spectra could not establish definitively if a single structure or a mixture of conformations was present for the protonated parent of each compound. However, theoretical calculations, near-ir IRMPD spectra, and frequency-to-frequency and statistical comparisons indicated that the protonation site for both DIMP and DMMP was predominantly, if not exclusively, the phosphonyl oxygen instead of one of the oxygen atoms with only single bonds.},\n\tnumber = {11},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Rummel, Julia L. and Steill, Jeffrey D. and Oomens, Jos and Contreras, Cesar S. and Pearson, Wright L. and Szczepanski, Jan and Powell, David H. and Eyler, John R.},\n\tyear = {2011},\n\tkeywords = {DART, FT-ICR, nerve agents},\n\tpages = {4045--4052},\n}\n\n\n\n
\n
\n\n\n
\n Infrared multiple photon dissociation (IRMPD) was used to generate vibrational spectra of ions produced with a direct analysis in real time (DART) ionization source coupled to a 4.7 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The location of protonation on the nerve agent simulants diisopropyl methylphosphonate (DIMP) and dimethyl methylphosphonate (DMMP) was studied while solutions of the compounds were introduced for extended periods of time with a syringe pump. Theoretical vibrational spectra were generated with density functional theory calculations. Visual comparison of experimental mid-IR IRMPD spectra and theoretical spectra could not establish definitively if a single structure or a mixture of conformations was present for the protonated parent of each compound. However, theoretical calculations, near-ir IRMPD spectra, and frequency-to-frequency and statistical comparisons indicated that the protonation site for both DIMP and DMMP was predominantly, if not exclusively, the phosphonyl oxygen instead of one of the oxygen atoms with only single bonds.\n
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\n \n\n \n \n \n \n \n Comparison of dielectric barrier discharge, atmospheric pressure radiofrequency-driven glow discharge and direct analysis in real time sources for ambient mass spectrometry of acetaminophen.\n \n \n \n\n\n \n Kratzera, J.; Mester, Z.; and Sturgeon, R. E.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 66(8): 594–603. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kratzera_comparison_2011,\n\ttitle = {Comparison of dielectric barrier discharge, atmospheric pressure radiofrequency-driven glow discharge and direct analysis in real time sources for ambient mass spectrometry of acetaminophen},\n\tvolume = {66},\n\tabstract = {Three plasma-based ambient pressure ion sources were investigated; laboratory constructed dielectric barrier and rf glow discharges, as well as a commercial corona discharge (DART source). All were used to desorb and ionize a model analyte, providing sampling techniques for ambient mass spectrometry (MS). Experimental parameters were optimized to achive highest signal for acetaminophen as the analyte. Insight into the mechanisms of analyte desorption and ionization was obtained by means of emission spectrometry and ion current measurements. Desorption and ionization mechanisms for this analyte appear to be identical for all three plasma sources. Emission spectra differ only in the intensities of various lines and bands. Desorption of solid analyte requires transfer of thermal energy from the plasma source to sample surface, in the absence of which complete loss of MS response occurs. For acetaminophen, helium was the best plasma gas, providing 100- to 1000-fold higher analyte response than with argon or nitrogen. The same trend was also evident with background ions (protonated water clusters). MS analyte signal intensity correlates with the ion density (expressed as ion current) in the plasma plume and with emission intensity from excited state species in the plasma. These observations support an ionization process which occurs via proton transfer from protonated water clusters to analyte molecules.},\n\tnumber = {8},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {Kratzera, Jan and Mester, Zoltán and Sturgeon, Ralph E.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time (DART); Dielectric barrier discharge (DBD); Atmospheric pressure rf glow discharge (APGD); Ambient mass spectrometry (AMS); Acetaminophen},\n\tpages = {594--603},\n}\n\n\n\n
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\n Three plasma-based ambient pressure ion sources were investigated; laboratory constructed dielectric barrier and rf glow discharges, as well as a commercial corona discharge (DART source). All were used to desorb and ionize a model analyte, providing sampling techniques for ambient mass spectrometry (MS). Experimental parameters were optimized to achive highest signal for acetaminophen as the analyte. Insight into the mechanisms of analyte desorption and ionization was obtained by means of emission spectrometry and ion current measurements. Desorption and ionization mechanisms for this analyte appear to be identical for all three plasma sources. Emission spectra differ only in the intensities of various lines and bands. Desorption of solid analyte requires transfer of thermal energy from the plasma source to sample surface, in the absence of which complete loss of MS response occurs. For acetaminophen, helium was the best plasma gas, providing 100- to 1000-fold higher analyte response than with argon or nitrogen. The same trend was also evident with background ions (protonated water clusters). MS analyte signal intensity correlates with the ion density (expressed as ion current) in the plasma plume and with emission intensity from excited state species in the plasma. These observations support an ionization process which occurs via proton transfer from protonated water clusters to analyte molecules.\n
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\n \n\n \n \n \n \n \n \n Danshen extract does not alter pharmacokinetics of docetaxel and clopidogrel, reflecting its negligible potential in P-glycoprotein- and cytochrome P4503A-mediated herb–drug interactions.\n \n \n \n \n\n\n \n Lee, J. H.; Shin, Y.; Kim, H. J.; Oh, J.; Jang, Y. P.; and Lee, Y.\n\n\n \n\n\n\n International Journal of Pharmaceutics, 410(1-2): 68–74. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DanshenPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{lee_danshen_2011,\n\ttitle = {Danshen extract does not alter pharmacokinetics of docetaxel and clopidogrel, reflecting its negligible potential in {P}-glycoprotein- and cytochrome {P4503A}-mediated herb–drug interactions},\n\tvolume = {410},\n\turl = {http://dx.doi.org/10.1016/j.ijpharm.2011.03.031},\n\tabstract = {Danshen (Salvia miltiorrhiza) contains tanshinones, which inhibit P-glycoprotein (P-gp) and the cytochrome P450 (CYP) system. In the present study, we evaluated the possible pharmacokinetic interactions of Danshen extract with docetaxel and clopidogrel in rats. Docetaxel (5 mg/kg intravenously and 40 mg/kg orally) or clopidogrel (30 mg/kg orally) was administered to rats with or without oral co-administration of Danshen (400 mg/kg). Co-administration of Danshen did not affect the plasma concentration profiles and pharmacokinetic parameters of docetaxel and clopidogrel, whereas cyclosporine A, a P-gp and CYP3A inhibitor, significantly influenced the pharmacokinetics of co-administered docetaxel and clopidogrel. Orally administered Danshen had no substantial effect on the pharmacokinetics of docetaxel and clopidogrel, suggesting the negligible safety concern of Danshen in P-gp- and CYP3A-mediated interactions in vivo.},\n\tnumber = {1-2},\n\tjournal = {International Journal of Pharmaceutics},\n\tauthor = {Lee, Joo Hyun and Shin, Yong-Jun and Kim, Hye Jin and Oh, Ju-Hee and Jang, Young Pyo and Lee, Young-Joo},\n\tyear = {2011},\n\tkeywords = {Danshen; Docetaxel; Clopidogrel; Pharmacokinetic interaction; P-glycoprotein; Cytochrome P450 3A; AccuTOF},\n\tpages = {68--74},\n}\n\n\n\n
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\n Danshen (Salvia miltiorrhiza) contains tanshinones, which inhibit P-glycoprotein (P-gp) and the cytochrome P450 (CYP) system. In the present study, we evaluated the possible pharmacokinetic interactions of Danshen extract with docetaxel and clopidogrel in rats. Docetaxel (5 mg/kg intravenously and 40 mg/kg orally) or clopidogrel (30 mg/kg orally) was administered to rats with or without oral co-administration of Danshen (400 mg/kg). Co-administration of Danshen did not affect the plasma concentration profiles and pharmacokinetic parameters of docetaxel and clopidogrel, whereas cyclosporine A, a P-gp and CYP3A inhibitor, significantly influenced the pharmacokinetics of co-administered docetaxel and clopidogrel. Orally administered Danshen had no substantial effect on the pharmacokinetics of docetaxel and clopidogrel, suggesting the negligible safety concern of Danshen in P-gp- and CYP3A-mediated interactions in vivo.\n
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\n \n\n \n \n \n \n \n \n A rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by direct analysis in real-time mass spectrometry.\n \n \n \n \n\n\n \n Kim, S. W.; Kim, H. J.; Kim, J. H.; Kwon, Y. K.; Ahn, M. S.; Jang, Y. P.; and Liu, J. R\n\n\n \n\n\n\n Plant Methods, 7(1): 1–10. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kim_rapid_2011,\n\ttitle = {A rapid, simple method for the genetic discrimination of intact {Arabidopsis} thaliana mutant seeds using metabolic profiling by direct analysis in real-time mass spectrometry},\n\tvolume = {7},\n\tissn = {1746-4811},\n\turl = {http://www.plantmethods.com/content/7/1/14},\n\tdoi = {10.1186/1746-4811-7-14},\n\tabstract = {Background  \nEfficient high throughput screening systems of useful mutants are prerequisite for study of plant functional genomics and lots of application fields. Advance in such screening tools, thanks to the development of analytic instruments. Direct analysis in real-time (DART)-mass spectrometry (MS) by ionization of complex materials at atmospheric pressure is a rapid, simple, high-resolution analytical technique. Here we describe a rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by DART-MS.\n\nResults  \nTo determine whether this DART-MS combined by multivariate analysis can perform genetic discrimination based on global metabolic profiling, intact Arabidopsis thaliana mutant seeds were subjected to DART-MS without any sample preparation. Partial least squares-discriminant analysis (PLS-DA) of DART-MS spectral data from intact seeds classified 14 different lines of seeds into two distinct groups: Columbia (Col-0) and Landsberg erecta (Ler) ecotype backgrounds. A hierarchical dendrogram based on partial least squares-discriminant analysis (PLS-DA) subdivided the Col-0 ecotype into two groups: mutant lines harboring defects in the phenylpropanoid biosynthetic pathway and mutants without these defects. These results indicated that metabolic profiling with DART-MS could discriminate intact Arabidopsis seeds at least ecotype level and metabolic pathway level within same ecotype.\n\nConclusion  \nThe described DART-MS combined by multivariate analysis allows for rapid screening and metabolic characterization of lots of Arabidopsis mutant seeds without complex metabolic preparation steps. Moreover, potential novel metabolic markers can be detected and used to clarify the genetic relationship between Arabidopsis cultivars. Furthermore this technique can be applied to predict the novel gene function of metabolic mutants regardless of morphological phenotypes.},\n\tnumber = {1},\n\tjournal = {Plant Methods},\n\tauthor = {Kim, Suk Weon and Kim, Hye Jin and Kim, Jong Hyun and Kwon, Yong Kook and Ahn, Myung Suk and Jang, Young Pyo and Liu, Jang R},\n\tyear = {2011},\n\tkeywords = {Arabidopsis thaliana; Direct analysis in real-time mass spectrometry (DART-MS); partial least squares-discriminant analysis (PLS-DA); seed; AccuTOF},\n\tpages = {1--10},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Background Efficient high throughput screening systems of useful mutants are prerequisite for study of plant functional genomics and lots of application fields. Advance in such screening tools, thanks to the development of analytic instruments. Direct analysis in real-time (DART)-mass spectrometry (MS) by ionization of complex materials at atmospheric pressure is a rapid, simple, high-resolution analytical technique. Here we describe a rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by DART-MS. Results To determine whether this DART-MS combined by multivariate analysis can perform genetic discrimination based on global metabolic profiling, intact Arabidopsis thaliana mutant seeds were subjected to DART-MS without any sample preparation. Partial least squares-discriminant analysis (PLS-DA) of DART-MS spectral data from intact seeds classified 14 different lines of seeds into two distinct groups: Columbia (Col-0) and Landsberg erecta (Ler) ecotype backgrounds. A hierarchical dendrogram based on partial least squares-discriminant analysis (PLS-DA) subdivided the Col-0 ecotype into two groups: mutant lines harboring defects in the phenylpropanoid biosynthetic pathway and mutants without these defects. These results indicated that metabolic profiling with DART-MS could discriminate intact Arabidopsis seeds at least ecotype level and metabolic pathway level within same ecotype. Conclusion The described DART-MS combined by multivariate analysis allows for rapid screening and metabolic characterization of lots of Arabidopsis mutant seeds without complex metabolic preparation steps. Moreover, potential novel metabolic markers can be detected and used to clarify the genetic relationship between Arabidopsis cultivars. Furthermore this technique can be applied to predict the novel gene function of metabolic mutants regardless of morphological phenotypes.\n
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\n \n\n \n \n \n \n \n Increasing the rate of sample vaporization in an open air desorption ionization source by using a heated metal screen as a sample holder.\n \n \n \n\n\n \n Krechmer, J.; Tice, J.; Crawford, E.; and Musselman, B.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(17): 2384–2388. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{krechmer_increasing_2011,\n\ttitle = {Increasing the rate of sample vaporization in an open air desorption ionization source by using a heated metal screen as a sample holder},\n\tvolume = {25},\n\tdoi = {10.1002/rcm.5133},\n\tabstract = {Rapid vaporization of sample into the ionizing gas exiting a direct analysis in real time (DARTW) source has been enabled by directing a high electrical current through a metal wire screen to which sample has been applied. This direct heating of the screen enables rapid vaporization of sample as the wire temperature rises from room temperature to greater than 400C in less than 20s. Positioning the screen between the DARTsource and atmospheric pressure inlet of the mass spectrometer ensures that the ionizing gas is in close proximity to the sample molecules, resulting in efficient ionization while significantly reducing the time required for mass spectrometric analysis. The capability to modulate the electrical current flow through the wires facilitates either rapid desorption for the determination of single component samples or slower desorption where analysis of mixtures might be desired. The technology also enables deployment of strategies for the determination of chemicals present as powders that might otherwise require dissolution prior to analysis. Results from the use of this thermally assisted DART (‘TA-DART’) system for the analysis of pure compounds, simple mixtures, solids and low vapor pressure samples are presented.},\n\tnumber = {17},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Krechmer, Jordan and Tice, Joseph and Crawford, Elizabeth and Musselman, Brian},\n\tyear = {2011},\n\tkeywords = {Agilent Quad},\n\tpages = {2384--2388},\n}\n\n\n\n
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\n Rapid vaporization of sample into the ionizing gas exiting a direct analysis in real time (DARTW) source has been enabled by directing a high electrical current through a metal wire screen to which sample has been applied. This direct heating of the screen enables rapid vaporization of sample as the wire temperature rises from room temperature to greater than 400C in less than 20s. Positioning the screen between the DARTsource and atmospheric pressure inlet of the mass spectrometer ensures that the ionizing gas is in close proximity to the sample molecules, resulting in efficient ionization while significantly reducing the time required for mass spectrometric analysis. The capability to modulate the electrical current flow through the wires facilitates either rapid desorption for the determination of single component samples or slower desorption where analysis of mixtures might be desired. The technology also enables deployment of strategies for the determination of chemicals present as powders that might otherwise require dissolution prior to analysis. Results from the use of this thermally assisted DART (‘TA-DART’) system for the analysis of pure compounds, simple mixtures, solids and low vapor pressure samples are presented.\n
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\n \n\n \n \n \n \n \n Ambient ionization mass spectrometry: A tutorial.\n \n \n \n\n\n \n Huang, M.; Cheng, S.; Cho, Y.; and Shiea, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 702(1): 1–15. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{huang_ambient_2011,\n\ttitle = {Ambient ionization mass spectrometry: {A} tutorial},\n\tvolume = {702},\n\tabstract = {Ambient ionization is a set of mass spectrometric ionization techniques performed under ambient conditions that allows the direct analysis of sample surfaces with little or no sample pretreatment. Using combinations of different types of sample introduction systems and ionization methods, several novel techniques have been developed over the last few years with many applications (e.g., food safety screening; detection of pharmaceuticals and drug abuse; monitoring of environmental pollutants; detection of explosives for antiterrorism and forensics; characterization of biological compounds for proteomics and metabolomics; molecular imaging analysis; and monitoring chemical and biochemical reactions). Electrospray ionization and atmospheric pressure chemical ionization are the two main ionization principles most commonly used in ambient ionization mass spectrometry. This tutorial paper provides a review of the publications related to ambient ionization techniques. We describe and compare the underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques.},\n\tnumber = {1},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Huang, Min-Zong and Cheng, Sy-Chi and Cho, Yi-Tzu and Shiea, Jentaie},\n\tyear = {2011},\n\tkeywords = {review; Ambient; Desorption/ionization; Two-step ionization; Electrospray ionization; Atmospheric pressure chemical ionization},\n\tpages = {1--15},\n}\n\n\n\n
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\n Ambient ionization is a set of mass spectrometric ionization techniques performed under ambient conditions that allows the direct analysis of sample surfaces with little or no sample pretreatment. Using combinations of different types of sample introduction systems and ionization methods, several novel techniques have been developed over the last few years with many applications (e.g., food safety screening; detection of pharmaceuticals and drug abuse; monitoring of environmental pollutants; detection of explosives for antiterrorism and forensics; characterization of biological compounds for proteomics and metabolomics; molecular imaging analysis; and monitoring chemical and biochemical reactions). Electrospray ionization and atmospheric pressure chemical ionization are the two main ionization principles most commonly used in ambient ionization mass spectrometry. This tutorial paper provides a review of the publications related to ambient ionization techniques. We describe and compare the underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques.\n
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\n \n\n \n \n \n \n \n Direct Identification of Dyes in Textiles by Direct Analysis in Real Time-Time of Flight Mass Spectrometry.\n \n \n \n\n\n \n Deroo, C. S.; and Armitage, R. A.\n\n\n \n\n\n\n Analytical Chemistry, 83(18): 6924–6928. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{deroo_direct_2011,\n\ttitle = {Direct {Identification} of {Dyes} in {Textiles} by {Direct} {Analysis} in {Real} {Time}-{Time} of {Flight} {Mass} {Spectrometry}},\n\tvolume = {83},\n\tdoi = {10.1021/ac201747s},\n\tabstract = {We present here a method requiring no sample preparation for direct identification of the organic dye compounds quercetin, indigotin, and alizarin in reference materials, in solution, and also in situ in dyed fibers by use of direct analysis in real time (DART) ionization and high-resolution time-of-flight mass spectrometry. Exact mass determinations on small samples of dyed textiles were completed in less than 1 min. With the ability to identify flavonoid, indigoid, and anthraquinone classes of dyes, this technique shows early promise as an additional analytical tool in the challenging analysis of organic dyes in rare cultural heritage materials and possesses the unique advantages of sensitivity and simplicity without the preparatory procedures required by other methods.},\n\tnumber = {18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Deroo, Cathy Selvius and Armitage, Ruth Ann},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {6924--6928},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n We present here a method requiring no sample preparation for direct identification of the organic dye compounds quercetin, indigotin, and alizarin in reference materials, in solution, and also in situ in dyed fibers by use of direct analysis in real time (DART) ionization and high-resolution time-of-flight mass spectrometry. Exact mass determinations on small samples of dyed textiles were completed in less than 1 min. With the ability to identify flavonoid, indigoid, and anthraquinone classes of dyes, this technique shows early promise as an additional analytical tool in the challenging analysis of organic dyes in rare cultural heritage materials and possesses the unique advantages of sensitivity and simplicity without the preparatory procedures required by other methods.\n
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\n \n\n \n \n \n \n \n Crushing Garlic and Slicing Onions: Detection of Sulfenic Acids and Other Reactive Organosulfur Intermediates from Garlic and Other Alliums using Direct Analysis in Real-Time Mass Spectrometry (DART-MS).\n \n \n \n\n\n \n Block, E.; Dane, A.; and Cody, R.\n\n\n \n\n\n\n Phosphorus, Sulfur, and Silicon and the Related Elements, 186(5): 1085–1093. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{block_crushing_2011,\n\ttitle = {Crushing {Garlic} and {Slicing} {Onions}: {Detection} of {Sulfenic} {Acids} and {Other} {Reactive} {Organosulfur} {Intermediates} from {Garlic} and {Other} {Alliums} using {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry} ({DART}-{MS})},\n\tvolume = {186},\n\tabstract = {Direct analysis in real-time mass spectrometry (DART-MS) under both positive-ion (PI) and negative-ion (NI) high-resolution (HR) conditions has been used to identify reactive sulfur-containing compounds formed from cutting seven different genus Allium species, garlic, onion, elephant garlic, leek, Chinese chives, and the ornamental species, Allium siculum and A. stipitatum. From cut garlic, PI-DART-MS shows allicin, allyl/methyl and dimethyl thiosulfinates, diallyl trisulfane S-oxide, allyl alcohol, and propene, whereas NI-DART-MS shows 2-propenesulfenic acid, 2-propenesulfinic acid, SO2, and pyruvate. From cut onion, PI-DART-MS shows mainly the lachrymatory factor (LF), along with much lower amounts of thiosulfinates, zwiebelanes, and a bis-sulfine. From cut elephant garlic, both allicin and LF are found, along with thiosulfinates and bis-sulfine. From cut leek, using PI-DART-MS, mixed methyl-1-propenyl-n-propyl thiosulfinates are found, whereas cut Chinese chive shows predominantly methyl with lesser amounts of mixed allyl/methyl thiosufinates. From cut A. siculum, PI-DART-MS shows butanethial S-oxide along with lesser amounts of mixed 1-butenyl/n-butyl/methyl thiosulfinates, while from cut A. stipitatum, N-hydroxy-2-pyridinethione (pyrithone) is seen. PI-DART-MS analysis of all six cut Allium species showed that disulfanes and polysulfanes were absent, which is consistent with these compounds being artifacts from handling and analysis.},\n\tnumber = {5},\n\tjournal = {Phosphorus, Sulfur, and Silicon and the Related Elements},\n\tauthor = {Block, E. and Dane, A.J. and Cody, R.B.},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {1085--1093},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real-time mass spectrometry (DART-MS) under both positive-ion (PI) and negative-ion (NI) high-resolution (HR) conditions has been used to identify reactive sulfur-containing compounds formed from cutting seven different genus Allium species, garlic, onion, elephant garlic, leek, Chinese chives, and the ornamental species, Allium siculum and A. stipitatum. From cut garlic, PI-DART-MS shows allicin, allyl/methyl and dimethyl thiosulfinates, diallyl trisulfane S-oxide, allyl alcohol, and propene, whereas NI-DART-MS shows 2-propenesulfenic acid, 2-propenesulfinic acid, SO2, and pyruvate. From cut onion, PI-DART-MS shows mainly the lachrymatory factor (LF), along with much lower amounts of thiosulfinates, zwiebelanes, and a bis-sulfine. From cut elephant garlic, both allicin and LF are found, along with thiosulfinates and bis-sulfine. From cut leek, using PI-DART-MS, mixed methyl-1-propenyl-n-propyl thiosulfinates are found, whereas cut Chinese chive shows predominantly methyl with lesser amounts of mixed allyl/methyl thiosufinates. From cut A. siculum, PI-DART-MS shows butanethial S-oxide along with lesser amounts of mixed 1-butenyl/n-butyl/methyl thiosulfinates, while from cut A. stipitatum, N-hydroxy-2-pyridinethione (pyrithone) is seen. PI-DART-MS analysis of all six cut Allium species showed that disulfanes and polysulfanes were absent, which is consistent with these compounds being artifacts from handling and analysis.\n
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\n \n\n \n \n \n \n \n Analytical methods for the quantification of volatile aromatic compounds.\n \n \n \n\n\n \n Biniecka, M.; and Caroli, S.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry, 30(11): 1756–1770. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{biniecka_analytical_2011,\n\ttitle = {Analytical methods for the quantification of volatile aromatic compounds},\n\tvolume = {30},\n\tabstract = {The investigation of odorants is not an easy task, which needs to be undertaken in the context of fit-for-purpose quality systems. To date, great attention has been paid to determination of the volatile fractions of odorants, since they are responsible for the attributes of global flavor [i.e. a combination of olfactory (aroma) and gustatory (taste) sensations produced by chemicals]. This kind of determination can be carried out by analytical techniques [e.g., gas chromatography (GC) combined with mass spectrometry and/or olfactometric GC]. Methods complementary to GC analysis are available, allowing assessment of the olfactory impact by an electronic nose (e-nose) or a panel of selected individuals. Also, we consider some innovative analytical techniques to study the effects of odorants in food during consumption.},\n\tnumber = {11},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Biniecka, Małgorzata and Caroli, Sergio},\n\tyear = {2011},\n\tkeywords = {Analytical method; Electronic nose; Food odorant; Gas chromatography; Mass spectrometry; Odorant; Odorant determination; Olfactometric gas chromatography; Volatile aromatic compound},\n\tpages = {1756--1770},\n}\n\n\n\n
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\n The investigation of odorants is not an easy task, which needs to be undertaken in the context of fit-for-purpose quality systems. To date, great attention has been paid to determination of the volatile fractions of odorants, since they are responsible for the attributes of global flavor [i.e. a combination of olfactory (aroma) and gustatory (taste) sensations produced by chemicals]. This kind of determination can be carried out by analytical techniques [e.g., gas chromatography (GC) combined with mass spectrometry and/or olfactometric GC]. Methods complementary to GC analysis are available, allowing assessment of the olfactory impact by an electronic nose (e-nose) or a panel of selected individuals. Also, we consider some innovative analytical techniques to study the effects of odorants in food during consumption.\n
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\n \n\n \n \n \n \n \n \n Authentication of Animal Fats Using Direct Analysis in Real Time (DART) Ionization−Mass Spectrometry and Chemometric Tools.\n \n \n \n \n\n\n \n Vaclavik, L.; Hrbek, V.; Cajka, T.; Rohlik, B.; Pipek, P.; and Hajslova, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(11): 5919–5926. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AuthenticationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{vaclavik_authentication_2011,\n\ttitle = {Authentication of {Animal} {Fats} {Using} {Direct} {Analysis} in {Real} {Time} ({DART}) {Ionization}−{Mass} {Spectrometry} and {Chemometric} {Tools}},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf200734x},\n\tdoi = {10.1021/jf200734x},\n\tabstract = {A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10\\% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10\\% pork added to beef and vice versa was possible.\nA combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10\\% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10\\% pork added to beef and vice versa was possible.},\n\tnumber = {11},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Vaclavik, Lukas and Hrbek, Vojtech and Cajka, Tomas and Rohlik, Bo-Anne and Pipek, Petr and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {animal fat; meat; adulteration; direct analysis in real time; mass spectrometry; multivariate analysis; AccuTOF},\n\tpages = {5919--5926},\n}\n\n\n\n
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\n A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10% pork added to beef and vice versa was possible. A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10% pork added to beef and vice versa was possible.\n
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\n \n\n \n \n \n \n \n \n Fast identification of phthalic acid esters in poly(vinyl chloride) samples by Direct Analysis In Real Time (DART) tandem mass spectrometry.\n \n \n \n \n\n\n \n Kuki, Á.; Nagy, L.; Zsuga, M.; and Kéki, S.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 303(2–3): 225–228. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"FastPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{kuki_fast_2011,\n\ttitle = {Fast identification of phthalic acid esters in poly(vinyl chloride) samples by {Direct} {Analysis} {In} {Real} {Time} ({DART}) tandem mass spectrometry},\n\tvolume = {303},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380611000698},\n\tdoi = {10.1016/j.ijms.2011.02.011},\n\tabstract = {It was found that the collision energy/voltage necessary to obtain 50\\% fragmentation (CV50) was linearly dependent on the molecular weight of phthalic acid esters (PAEs). Based on this observation a fast screening technique for the detection of PAEs in poly vinyl chloride (PVC) samples was developed using Direct Analysis in Real Time (DART) ionization tandem mass spectrometry. Based on this observation an automated data acquisition method, including mass-dependent tuning of the collision energy/voltage in DART-MS/MS, was developed thereby reducing the analysis time.},\n\tnumber = {2–3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Kuki, Ákos and Nagy, Lajos and Zsuga, Miklós and Kéki, Sándor},\n\tyear = {2011},\n\tkeywords = {Direct Analysis in Real Time ionization (DART), Phthalic acid ester, Poly(vinyl chloride), Tandem mass spectrometry (MS/MS)},\n\tpages = {225--228},\n}\n\n\n\n
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\n It was found that the collision energy/voltage necessary to obtain 50% fragmentation (CV50) was linearly dependent on the molecular weight of phthalic acid esters (PAEs). Based on this observation a fast screening technique for the detection of PAEs in poly vinyl chloride (PVC) samples was developed using Direct Analysis in Real Time (DART) ionization tandem mass spectrometry. Based on this observation an automated data acquisition method, including mass-dependent tuning of the collision energy/voltage in DART-MS/MS, was developed thereby reducing the analysis time.\n
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\n \n\n \n \n \n \n \n \n Purification of pharmaceutical preparations using thin-layer chromatography to obtain mass spectra with Direct Analysis in Real Time and accurate mass spectrometry.\n \n \n \n \n\n\n \n Wood, J. L.; and Steiner, R. R.\n\n\n \n\n\n\n Drug Testing and Analysis, 3(6): 345–351. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PurificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wood_purification_2011,\n\ttitle = {Purification of pharmaceutical preparations using thin-layer chromatography to obtain mass spectra with {Direct} {Analysis} in {Real} {Time} and accurate mass spectrometry},\n\tvolume = {3},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.293},\n\tdoi = {10.1002/dta.293},\n\tabstract = {Forensic analysis of pharmaceutical preparations requires a comparative analysis with a standard of the suspected drug in order to identify the active ingredient. Purchasing analytical standards can be expensive or unattainable from the drug manufacturers. Direct Analysis in Real Time (DART™) is a novel, ambient ionization technique, typically coupled with a JEOL AccuTOF™ (accurate mass) mass spectrometer. While a fast and easy technique to perform, a drawback of using DART™ is the lack of component separation of mixtures prior to ionization. Various in-house pharmaceutical preparations were purified using thin-layer chromatography (TLC) and mass spectra were subsequently obtained using the AccuTOF™- DART™ technique. Utilizing TLC prior to sample introduction provides a simple, low-cost solution to acquiring mass spectra of the purified preparation. Each spectrum was compared against an in-house molecular formula list to confirm the accurate mass elemental compositions. Spectra of purified ingredients of known pharmaceuticals were added to an in-house library for use as comparators for casework samples. Resolving isomers from one another can be accomplished using collision-induced dissociation after ionization. Challenges arose when the pharmaceutical preparation required an optimized TLC solvent to achieve proper separation and purity of the standard. Purified spectra were obtained for 91 preparations and included in an in-house drug standard library. Primary standards would only need to be purchased when pharmaceutical preparations not previously encountered are submitted for comparative analysis. TLC prior to DART™ analysis demonstrates a time efficient and cost saving technique for the forensic drug analysis community. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {6},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Wood, Jessica L. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Direct analysis in real time, forensic science, pharmaceutical preparations, thin-layer chromatography, time of flight},\n\tpages = {345--351},\n}\n\n\n\n
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\n Forensic analysis of pharmaceutical preparations requires a comparative analysis with a standard of the suspected drug in order to identify the active ingredient. Purchasing analytical standards can be expensive or unattainable from the drug manufacturers. Direct Analysis in Real Time (DART™) is a novel, ambient ionization technique, typically coupled with a JEOL AccuTOF™ (accurate mass) mass spectrometer. While a fast and easy technique to perform, a drawback of using DART™ is the lack of component separation of mixtures prior to ionization. Various in-house pharmaceutical preparations were purified using thin-layer chromatography (TLC) and mass spectra were subsequently obtained using the AccuTOF™- DART™ technique. Utilizing TLC prior to sample introduction provides a simple, low-cost solution to acquiring mass spectra of the purified preparation. Each spectrum was compared against an in-house molecular formula list to confirm the accurate mass elemental compositions. Spectra of purified ingredients of known pharmaceuticals were added to an in-house library for use as comparators for casework samples. Resolving isomers from one another can be accomplished using collision-induced dissociation after ionization. Challenges arose when the pharmaceutical preparation required an optimized TLC solvent to achieve proper separation and purity of the standard. Purified spectra were obtained for 91 preparations and included in an in-house drug standard library. Primary standards would only need to be purchased when pharmaceutical preparations not previously encountered are submitted for comparative analysis. TLC prior to DART™ analysis demonstrates a time efficient and cost saving technique for the forensic drug analysis community. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Precursors and Formation of Pyrithione and Other Pyridyl-Containing Sulfur Compounds in Drumstick Onion, Allium stipitatum.\n \n \n \n \n\n\n \n Kubec, R.; Krejčová, P.; Šimek, P.; Václavík, L.; Hajšlová, J.; and Schraml, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(10): 5763–5770. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PrecursorsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kubec_precursors_2011,\n\ttitle = {Precursors and {Formation} of {Pyrithione} and {Other} {Pyridyl}-{Containing} {Sulfur} {Compounds} in {Drumstick} {Onion}, {Allium} stipitatum},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf200704n},\n\tdoi = {10.1021/jf200704n},\n\tabstract = {Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.\nTwo novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.},\n\tnumber = {10},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Kubec, Roman and Krejčová, Petra and Šimek, Petr and Václavík, Lukáš and Hajšlová, Jana and Schraml, Jan},\n\tyear = {2011},\n\tkeywords = {Allium stipitatum; S-(2-pyridyl)cysteine N-oxide; marasmin; sulfenic acid; DART-MS; pyrithione; AccuTOF},\n\tpages = {5763--5770},\n}\n\n\n\n
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\n Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product. Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Identification and semi-quantitative analysis of parabens and UV filters in cosmetic products by direct-analysis-in-real-time mass spectrometry and gas chromatography with mass spectrometric detection.\n \n \n \n \n\n\n \n Haunschmidt, M.; Buchberger, W.; Klampfl, C. W.; and Hertsens, R.\n\n\n \n\n\n\n Anal. Methods, 3(1): 99–104. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_identification_2011,\n\ttitle = {Identification and semi-quantitative analysis of parabens and {UV} filters in cosmetic products by direct-analysis-in-real-time mass spectrometry and gas chromatography with mass spectrometric detection},\n\tvolume = {3},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C0AY00588F},\n\tabstract = {A method based on direct-analysis-in-real-time mass spectrometry (DART-MS) for the qualitative and semi-quantitative analysis of eight organic UV filters and four parabens in twelve cosmetic products with substantially different formulations (as cream, milk, lotion, oil, lipstick) was developed. All tested substances could be identified unambiguously in the investigated samples without any sample pre-treatment. Direct analysis of cosmetic products allows semi-quantitative determination of parabens. For UV filters no satisfactory results were obtained by direct analysis but all analytes could be quantified by simply dissolving the samples in methanol, addition of an internal standard and subsequent measurement of the solution by DART-MS without further pre-treatment. The results obtained using DART-MS were confirmed by a more established method namely gas chromatography with mass spectrometric detection (GC-MS).},\n\tnumber = {1},\n\tjournal = {Anal. Methods},\n\tauthor = {Haunschmidt, Manuela and Buchberger, Wolfgang and Klampfl, Christian W. and Hertsens, Robert},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {99--104},\n}\n\n\n\n
\n
\n\n\n
\n A method based on direct-analysis-in-real-time mass spectrometry (DART-MS) for the qualitative and semi-quantitative analysis of eight organic UV filters and four parabens in twelve cosmetic products with substantially different formulations (as cream, milk, lotion, oil, lipstick) was developed. All tested substances could be identified unambiguously in the investigated samples without any sample pre-treatment. Direct analysis of cosmetic products allows semi-quantitative determination of parabens. For UV filters no satisfactory results were obtained by direct analysis but all analytes could be quantified by simply dissolving the samples in methanol, addition of an internal standard and subsequent measurement of the solution by DART-MS without further pre-treatment. The results obtained using DART-MS were confirmed by a more established method namely gas chromatography with mass spectrometric detection (GC-MS).\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Challenging applications offered by direct analysis in real time (DART) in food-quality and safety analysis.\n \n \n \n \n\n\n \n Hajslova, J.; Cajka, T.; and Vaclavik, L.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry, 30(2): 204–218. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ChallengingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{hajslova_challenging_2011,\n\ttitle = {Challenging applications offered by direct analysis in real time ({DART}) in food-quality and safety analysis},\n\tvolume = {30},\n\tissn = {0165-9936},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0165993610003134},\n\tdoi = {10.1016/j.trac.2010.11.001},\n\tabstract = {Direct analysis in real time (DART) is an ambient ionization technique undergoing rapid development. With minimal sample pre-treatment, ionization of analyte molecules outside the mass spectrometry (MS) instrument in the ordinary atmosphere is feasible. This ionization approach relies upon the fundamental principles of atmospheric pressure chemical ionization.\n\nThe current review highlights and critically assesses application of DART (and some related desorption/ionization techniques) coupled to various types of MS analyzers for both target and non-target analysis of complex food matrices. Based on existing studies, DART-MS is presented as a simple, high-throughput tool for:(i)\nqualitative confirmation of chemical identity;\n(ii)\nmetabolomic fingerprinting/profiling; and,\n(iii)\nquantification of low-molecular-weight food components, including some trace organic contaminants.\n\n\nWith regard to regulatory requirements, we mention practical aspects of DART-MS use, as well as performance characteristics that can be attained.},\n\tnumber = {2},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Hajslova, Jana and Cajka, Tomas and Vaclavik, Lukas},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Ambient ionization, Atmospheric pressure chemical ionization, Contaminant, DART, Direct analysis in real time, Fingerprinting, Food quality, Food safety, Profiling, mass spectrometry},\n\tpages = {204--218},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is an ambient ionization technique undergoing rapid development. With minimal sample pre-treatment, ionization of analyte molecules outside the mass spectrometry (MS) instrument in the ordinary atmosphere is feasible. This ionization approach relies upon the fundamental principles of atmospheric pressure chemical ionization. The current review highlights and critically assesses application of DART (and some related desorption/ionization techniques) coupled to various types of MS analyzers for both target and non-target analysis of complex food matrices. Based on existing studies, DART-MS is presented as a simple, high-throughput tool for:(i) qualitative confirmation of chemical identity; (ii) metabolomic fingerprinting/profiling; and, (iii) quantification of low-molecular-weight food components, including some trace organic contaminants. With regard to regulatory requirements, we mention practical aspects of DART-MS use, as well as performance characteristics that can be attained.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Analysis of printing and writing papers by using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Adams, J.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 301(1–3): 109–126. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{adams_analysis_2011,\n\ttitle = {Analysis of printing and writing papers by using direct analysis in real time mass spectrometry},\n\tvolume = {301},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380610002617},\n\tdoi = {10.1016/j.ijms.2010.07.025},\n\tabstract = {A quick and direct method for identifying organic components of papers in library and archival collections with minimal destructive sampling is needed for preservation, forensic, and general purposes. Direct analysis in real time mass spectrometry (DART-MS) is used for characterizing 16 reference papers of known manufacture in terms of their pulp composition and pitch contaminants. Unique mass spectra are obtained from bleached kraft, chemithermomechanical, and stone groundwood pulp papers in real time without extractions, derivatizations, chromatographic separations, and other time- and chemical-consuming sample preparations. Phytosteroids are volatilized from bleached hardwood kraft but not from bleached softwood kraft papers, which differentiates the two of them. The kraft papers are in turn differentiated from chemithermomechanical pulp papers by lignin-derived thermolyis products: syringyl products arise from hardwood, but guaiacyl and coumaryl products arise from softwood, chemithermomechanical pulp papers. Stone groundwood papers contain a number of extractives that are volatilized, which serve to differentiate them from all the other papers. Papers that contain rosin vs. alkyl ketene dimer (AKD) sizings are immediately differentiated. The DART-MS methodology is fast and simple, and the spectra are repeatable. Microsamples as small as ∼10\\&\\#xa0;μg tweezed from the paper surface may be analyzed. These benchmark spectra are the prelude to further applications of DART-MS in paper research and the beginning of the development of a searchable library of DART-MS spectra of printing and writing papers by the Library of Congress.},\n\tnumber = {1–3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Adams, Jeanette},\n\tyear = {2011},\n\tkeywords = {AccuTOF, DART, Direct analysis in real time, Extractives, Lignin, Paper, Pulp},\n\tpages = {109--126},\n}\n\n\n\n
\n
\n\n\n
\n A quick and direct method for identifying organic components of papers in library and archival collections with minimal destructive sampling is needed for preservation, forensic, and general purposes. Direct analysis in real time mass spectrometry (DART-MS) is used for characterizing 16 reference papers of known manufacture in terms of their pulp composition and pitch contaminants. Unique mass spectra are obtained from bleached kraft, chemithermomechanical, and stone groundwood pulp papers in real time without extractions, derivatizations, chromatographic separations, and other time- and chemical-consuming sample preparations. Phytosteroids are volatilized from bleached hardwood kraft but not from bleached softwood kraft papers, which differentiates the two of them. The kraft papers are in turn differentiated from chemithermomechanical pulp papers by lignin-derived thermolyis products: syringyl products arise from hardwood, but guaiacyl and coumaryl products arise from softwood, chemithermomechanical pulp papers. Stone groundwood papers contain a number of extractives that are volatilized, which serve to differentiate them from all the other papers. Papers that contain rosin vs. alkyl ketene dimer (AKD) sizings are immediately differentiated. The DART-MS methodology is fast and simple, and the spectra are repeatable. Microsamples as small as ∼10 μg tweezed from the paper surface may be analyzed. These benchmark spectra are the prelude to further applications of DART-MS in paper research and the beginning of the development of a searchable library of DART-MS spectra of printing and writing papers by the Library of Congress.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Some new features of Direct Analysis in Real Time mass spectrometry utilizing the desorption at an angle option.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Revelsky, A. I.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(16): 2275–2282. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SomePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_new_2011,\n\ttitle = {Some new features of {Direct} {Analysis} in {Real} {Time} mass spectrometry utilizing the desorption at an angle option},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5112},\n\tdoi = {10.1002/rcm.5112},\n\tabstract = {The present study is a first step towards the unexplored capabilities of Direct Analysis in Real Time (DART) mass spectrometry (MS) arising from the possibility of the desorption at an angle: scanning analysis of surfaces, including the coupling of thin-layer chromatography (TLC) with DART-MS, and a more sensitive analysis due to the preliminary concentration of analytes dissolved in large volumes of liquids on glass surfaces. In order to select the most favorable conditions for DART-MS analysis, proper positioning of samples is important. Therefore, a simple and cheap technique for the visualization of the impact region of the DART gas stream onto a substrate was developed. A filter paper or TLC plate, previously loaded with the analyte, was immersed in a derivatization solution. On this substrate, owing to the impact of the hot DART gas, reaction of the analyte to a colored product occurred. An improved capability of detection of DART-MS for the analysis of liquids was demonstrated by applying large volumes of model solutions of coumaphos into small glass vessels and drying these solutions prior to DART-MS analysis under ambient conditions. This allowed the introduction of, by up to more than two orders of magnitude, increased quantities of analyte compared with the conventional DART-MS analysis of liquids. Through this improved detectability, the capabilities of DART-MS in trace analysis could be strengthened. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {16},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Revelsky, Alexander I. and Morlock, Gertrud E.},\n\tyear = {2011},\n\tkeywords = {Agilent Quad},\n\tpages = {2275--2282},\n}\n\n\n\n
\n
\n\n\n
\n The present study is a first step towards the unexplored capabilities of Direct Analysis in Real Time (DART) mass spectrometry (MS) arising from the possibility of the desorption at an angle: scanning analysis of surfaces, including the coupling of thin-layer chromatography (TLC) with DART-MS, and a more sensitive analysis due to the preliminary concentration of analytes dissolved in large volumes of liquids on glass surfaces. In order to select the most favorable conditions for DART-MS analysis, proper positioning of samples is important. Therefore, a simple and cheap technique for the visualization of the impact region of the DART gas stream onto a substrate was developed. A filter paper or TLC plate, previously loaded with the analyte, was immersed in a derivatization solution. On this substrate, owing to the impact of the hot DART gas, reaction of the analyte to a colored product occurred. An improved capability of detection of DART-MS for the analysis of liquids was demonstrated by applying large volumes of model solutions of coumaphos into small glass vessels and drying these solutions prior to DART-MS analysis under ambient conditions. This allowed the introduction of, by up to more than two orders of magnitude, increased quantities of analyte compared with the conventional DART-MS analysis of liquids. Through this improved detectability, the capabilities of DART-MS in trace analysis could be strengthened. Copyright © 2011 John Wiley & Sons, Ltd.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Detection of illicit drugs on surfaces using direct analysis in real time (DART) time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Grange, A. H.; and Sovocool, G. W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(9): 1271–1281. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{grange_detection_2011,\n\ttitle = {Detection of illicit drugs on surfaces using direct analysis in real time ({DART}) time-of-flight mass spectrometry},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5009},\n\tdoi = {10.1002/rcm.5009},\n\tabstract = {Methamphetamine (meth) from meth syntheses or habitual meth smoking deposited on household surfaces poses human health hazards. The U.S. State Departments of Health require decontamination of sites where meth was synthesized (meth labs) before they are sold. National Institute for Occupational Safety and Health (NIOSH) methods for meth analysis require wipe sampling, extraction, clean-up, solvent exchange, derivatization, and/or mass spectral analysis using selected ion monitoring. Rapid and inexpensive analyses could screen for drug-contamination within structures with greater spatial resolution, provide real-time analyses during decontamination, and provide thorough documentation of successful clean ups. Herein an autosampler/open-air ion source time-of-flight mass spectrometric technique is described that required only direct sampling using cotton-swab wipes. Each wipe sample collection required 2 min and data acquisition required only 13 s per sample. Optimum collision-induced dissociation voltages, desorption gas temperatures, and wipe sample solvents were determined for 11 drugs. Peaks were observed in analyte-ion traces for 0.025 µg/100 cm2 of meth and seven other drugs. This level is half the detection limit of NIOSH methods and one-fourth of the lowest U.S. state decontamination limit for meth. Dynamic ranges of 100 in concentration were demonstrated for eight drugs, which is sufficient for a screening technique. The volatilities of 11 drugs deposited on glass were determined. The pick up of the drugs by solvent-soaked cotton-swab wipes from glass relative to acrylic latex paint was also compared. Published in 2011 by John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H. and Sovocool, G. Wayne},\n\tyear = {2011},\n\tpages = {1271--1281},\n}\n\n\n\n
\n
\n\n\n
\n Methamphetamine (meth) from meth syntheses or habitual meth smoking deposited on household surfaces poses human health hazards. The U.S. State Departments of Health require decontamination of sites where meth was synthesized (meth labs) before they are sold. National Institute for Occupational Safety and Health (NIOSH) methods for meth analysis require wipe sampling, extraction, clean-up, solvent exchange, derivatization, and/or mass spectral analysis using selected ion monitoring. Rapid and inexpensive analyses could screen for drug-contamination within structures with greater spatial resolution, provide real-time analyses during decontamination, and provide thorough documentation of successful clean ups. Herein an autosampler/open-air ion source time-of-flight mass spectrometric technique is described that required only direct sampling using cotton-swab wipes. Each wipe sample collection required 2 min and data acquisition required only 13 s per sample. Optimum collision-induced dissociation voltages, desorption gas temperatures, and wipe sample solvents were determined for 11 drugs. Peaks were observed in analyte-ion traces for 0.025 µg/100 cm2 of meth and seven other drugs. This level is half the detection limit of NIOSH methods and one-fourth of the lowest U.S. state decontamination limit for meth. Dynamic ranges of 100 in concentration were demonstrated for eight drugs, which is sufficient for a screening technique. The volatilities of 11 drugs deposited on glass were determined. The pick up of the drugs by solvent-soaked cotton-swab wipes from glass relative to acrylic latex paint was also compared. Published in 2011 by John Wiley & Sons, Ltd.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n DART mass spectrometry and its applications in chemical analysis.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Morlock, G. E.; and Revelsky, I. A.\n\n\n \n\n\n\n Russian Chemical Reviews, 80(3): 235. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_dart_2011,\n\ttitle = {{DART} mass spectrometry and its applications in chemical analysis},\n\tvolume = {80},\n\turl = {http://stacks.iop.org/0036-021X/80/i=3/a=R03},\n\tabstract = {Published data on the fundamental and applied aspects of DART mass spectrometry are surveyed. The DART ionization principles and the key parameters affecting the analytical characteristics of the method and the mass spectra of the determined compounds are considered. The advantages and drawbacks of DART mass spectrometry are discussed and the existing and prospective applications are outlined.},\n\tnumber = {3},\n\tjournal = {Russian Chemical Reviews},\n\tauthor = {Chernetsova, Elena S. and Morlock, G. E. and Revelsky, Igor A.},\n\tyear = {2011},\n\tkeywords = {review},\n\tpages = {235},\n}\n\n\n\n
\n
\n\n\n
\n Published data on the fundamental and applied aspects of DART mass spectrometry are surveyed. The DART ionization principles and the key parameters affecting the analytical characteristics of the method and the mass spectra of the determined compounds are considered. The advantages and drawbacks of DART mass spectrometry are discussed and the existing and prospective applications are outlined.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Determination of drugs and drug-like compounds in different samples with direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n Mass Spectrometry Reviews, 30(5): 875–883. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{chernetsova_determination_2011,\n\ttitle = {Determination of drugs and drug-like compounds in different samples with direct analysis in real time mass spectrometry},\n\tvolume = {30},\n\tissn = {1098-2787},\n\turl = {http://dx.doi.org/10.1002/mas.20304},\n\tdoi = {10.1002/mas.20304},\n\tabstract = {Direct analysis in real time (DART), a relatively new ionization source for mass spectrometry, ionizes small-molecule components from different kinds of samples without any sample preparation and chromatographic separation. The current paper reviews the published data available on the determination of drugs and drug-like compounds in different matrices with DART-MS, including identification and quantitation issues. Parameters that affect ionization efficiency and mass spectra composition are also discussed. © 2011 Wiley Periodicals, Inc., Mass Spec Rev 30:875–883, 2011},\n\tnumber = {5},\n\tjournal = {Mass Spectrometry Reviews},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tyear = {2011},\n\tkeywords = {Ambient mass spectrometry, DART, Direct analysis in real time, drugs, identification, quantitation, review; direct analysis in real time; DART; drugs; identification; quantitation; ambient mass spectrometry},\n\tpages = {875--883},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART), a relatively new ionization source for mass spectrometry, ionizes small-molecule components from different kinds of samples without any sample preparation and chromatographic separation. The current paper reviews the published data available on the determination of drugs and drug-like compounds in different matrices with DART-MS, including identification and quantitation issues. Parameters that affect ionization efficiency and mass spectra composition are also discussed. © 2011 Wiley Periodicals, Inc., Mass Spec Rev 30:875–883, 2011\n
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\n \n\n \n \n \n \n \n \n Development and validation of AccuTOF-DART™ as a screening method for analysis of bank security device and pepper spray components.\n \n \n \n \n\n\n \n Pfaff, A. M.; and Steiner, R. R.\n\n\n \n\n\n\n Forensic Science International, 206(1–3): 62–70. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DevelopmentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{pfaff_development_2011,\n\ttitle = {Development and validation of {AccuTOF}-{DART}™ as a screening method for analysis of bank security device and pepper spray components},\n\tvolume = {206},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073810003154},\n\tdoi = {10.1016/j.forsciint.2010.06.018},\n\tabstract = {Analysis of bank security devices, containing 1-methylaminoanthraquinone (MAAQ) and o-chlorobenzylidenemalononitrile (CS), and pepper sprays, containing capsaicin, is a lengthy process with no specific screening technique to aid in identifying samples of interest. Direct Analysis in Real Time (DART™) ionization coupled with an Accurate Time of Flight (AccuTOF) mass detector is a fast, ambient ionization source that could significantly reduce time spent on these cases and increase the specificity of the screening process. A new method for screening clothing for bank dye and pepper spray, using AccuTOF-DART™ analysis, has been developed. Detection of MAAQ, CS, and capsaicin was achieved via extraction of each compound onto cardstock paper, which was then sampled in the AccuTOF-DART™. All results were verified using gas chromatography coupled with electron impact mass spectrometry.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Pfaff, Allison M. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {Bank dye, Direct analysis in real time, Forensic science; Bank dye; Pepper spray; Direct Analysis in Real Time; Mass spectrometry; Time of flight; AccuTOF, Pepper spray, forensic science, mass spectrometry, time of flight},\n\tpages = {62--70},\n}\n\n\n\n
\n
\n\n\n
\n Analysis of bank security devices, containing 1-methylaminoanthraquinone (MAAQ) and o-chlorobenzylidenemalononitrile (CS), and pepper sprays, containing capsaicin, is a lengthy process with no specific screening technique to aid in identifying samples of interest. Direct Analysis in Real Time (DART™) ionization coupled with an Accurate Time of Flight (AccuTOF) mass detector is a fast, ambient ionization source that could significantly reduce time spent on these cases and increase the specificity of the screening process. A new method for screening clothing for bank dye and pepper spray, using AccuTOF-DART™ analysis, has been developed. Detection of MAAQ, CS, and capsaicin was achieved via extraction of each compound onto cardstock paper, which was then sampled in the AccuTOF-DART™. All results were verified using gas chromatography coupled with electron impact mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Simplified and rapid determination of polychlorinated biphenyls, polybrominated diphenyl ethers, and polycyclic aromatic hydrocarbons in fish and shrimps integrated into a single method.\n \n \n \n \n\n\n \n Kalachova, K.; Pulkrabova, J.; Drabova, L.; Cajka, T.; Kocourek, V.; and Hajslova, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 707(1–2): 84–91. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SimplifiedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{kalachova_simplified_2011,\n\ttitle = {Simplified and rapid determination of polychlorinated biphenyls, polybrominated diphenyl ethers, and polycyclic aromatic hydrocarbons in fish and shrimps integrated into a single method},\n\tvolume = {707},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267011012347},\n\tdoi = {10.1016/j.aca.2011.09.016},\n\tabstract = {In this study, a new rapid and flexible method for the simultaneous determination of 18 key representatives of polychlorinated biphenyls (PCBs), 7 polybrominated diphenyl ethers (PBDEs), and 32 polycyclic aromatic hydrocarbons (PAHs) in fish and shrimps by gas chromatography coupled to mass spectrometry (GC–MS) was developed and validated. A substantial simplification of sample processing prior to quantification step was achieved: after addition of water to homogenized sample, transfer of hydrophobic analytes into ethyl acetate was supported by added inorganic salts. Bulk fat, contained in crude organic extract obtained by partition, was subsequently removed on a silica minicolumn. This approach enabled to process six samples in less than 1\\&\\#xa0;h; moreover, the volume of an extraction solvent and consumption of other chemicals can be significantly reduced compared to, e.g., traditional Soxhlet extraction followed by gel permeation chromatography. The recoveries of target analytes were in the range of 73–120\\% even at the lowest spiking level (1\\&\\#xa0;μg\\&\\#xa0;kg−1), repeatabilities (relative standard deviations, RSDs) ranged from 1 to 20\\%. Under optimized GC–MS conditions (time-of-flight mass analyzer, TOF), the limits of quantification (LOQs) were as follows: PCBs 0.1–0.5\\&\\#xa0;μg\\&\\#xa0;kg−1, PBDEs 0.5\\&\\#xa0;μg\\&\\#xa0;kg−1, and PAHs 0.05–0.25\\&\\#xa0;μg\\&\\#xa0;kg−1. Ambient mass spectrometry employing a direct analysis in real time (DART) ion source was shown as an effective tool for fat control in extract, which is needed during the method development and examination of unknown samples prior to the analysis. Further extension of a method scope by other similar analytes is easily possible.},\n\tnumber = {1–2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Kalachova, Kamila and Pulkrabova, Jana and Drabova, Lucie and Cajka, Tomas and Kocourek, Vladimir and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {DART, Fish, Fish; Shrimps; PCB; PBDE; PAH; GC–TOFMS; DART; AccuTOF, GC–TOFMS, PAH, PBDE, PCB, Shrimps},\n\tpages = {84--91},\n}\n\n\n\n
\n
\n\n\n
\n In this study, a new rapid and flexible method for the simultaneous determination of 18 key representatives of polychlorinated biphenyls (PCBs), 7 polybrominated diphenyl ethers (PBDEs), and 32 polycyclic aromatic hydrocarbons (PAHs) in fish and shrimps by gas chromatography coupled to mass spectrometry (GC–MS) was developed and validated. A substantial simplification of sample processing prior to quantification step was achieved: after addition of water to homogenized sample, transfer of hydrophobic analytes into ethyl acetate was supported by added inorganic salts. Bulk fat, contained in crude organic extract obtained by partition, was subsequently removed on a silica minicolumn. This approach enabled to process six samples in less than 1 h; moreover, the volume of an extraction solvent and consumption of other chemicals can be significantly reduced compared to, e.g., traditional Soxhlet extraction followed by gel permeation chromatography. The recoveries of target analytes were in the range of 73–120% even at the lowest spiking level (1 μg kg−1), repeatabilities (relative standard deviations, RSDs) ranged from 1 to 20%. Under optimized GC–MS conditions (time-of-flight mass analyzer, TOF), the limits of quantification (LOQs) were as follows: PCBs 0.1–0.5 μg kg−1, PBDEs 0.5 μg kg−1, and PAHs 0.05–0.25 μg kg−1. Ambient mass spectrometry employing a direct analysis in real time (DART) ion source was shown as an effective tool for fat control in extract, which is needed during the method development and examination of unknown samples prior to the analysis. Further extension of a method scope by other similar analytes is easily possible.\n
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\n \n\n \n \n \n \n \n \n Epiafzelechin from the Root Bark of Cassia sieberiana: Detection by DART Mass Spectrometry, Spectroscopic Characterization, and Antioxidant Properties.\n \n \n \n \n\n\n \n Kpegba, K.; Agbonon, A.; Petrovic, A. G.; Amouzou, E.; Gbeassor, M.; Proni, G.; and Nesnas, N.\n\n\n \n\n\n\n Journal of Natural Products, 74(3): 455–459. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"EpiafzelechinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kpegba_epiafzelechin_2011,\n\ttitle = {Epiafzelechin from the {Root} {Bark} of {Cassia} sieberiana: {Detection} by {DART} {Mass} {Spectrometry}, {Spectroscopic} {Characterization}, and {Antioxidant} {Properties}},\n\tvolume = {74},\n\tissn = {0163-3864, 1520-6025},\n\tshorttitle = {Epiafzelechin from the {Root} {Bark} of {Cassia} sieberiana},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/np100090e},\n\tdoi = {10.1021/np100090e},\n\tabstract = {The root bark of Cassia sieberiana was analyzed using direct analysis in real time mass spectrometry, and a main flavonoid component with an [M + H]+ mass of 275 was identified. The flavonoid, epiafzelechin, was isolated and fully characterized with the concerted use of NMR spectroscopy, circular dichroism, and optical rotation. Electronic circular dichroism and optical rotation TDDFT calculations were also performed, and their agreement with the experimental results confirmed the enantiomeric identity of the isolated natural product. The antioxidant activity of the compound was also investigated.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Journal of Natural Products},\n\tauthor = {Kpegba, Kafui and Agbonon, Amegnona and Petrovic, Ana G. and Amouzou, Etchri and Gbeassor, Messanvi and Proni, Gloria and Nesnas, Nasri},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {455--459},\n}\n\n\n\n
\n
\n\n\n
\n The root bark of Cassia sieberiana was analyzed using direct analysis in real time mass spectrometry, and a main flavonoid component with an [M + H]+ mass of 275 was identified. The flavonoid, epiafzelechin, was isolated and fully characterized with the concerted use of NMR spectroscopy, circular dichroism, and optical rotation. Electronic circular dichroism and optical rotation TDDFT calculations were also performed, and their agreement with the experimental results confirmed the enantiomeric identity of the isolated natural product. The antioxidant activity of the compound was also investigated.\n
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\n \n\n \n \n \n \n \n \n Quantitative analysis of major dibenzocyclooctane lignans in schisandrae fructus by online TLC-DART-MS.\n \n \n \n \n\n\n \n Kim, H. J.; Oh, M. S.; Hong, J.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis, 22(3): 258–262. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_quantitative_2011,\n\ttitle = {Quantitative analysis of major dibenzocyclooctane lignans in schisandrae fructus by online {TLC}-{DART}-{MS}},\n\tvolume = {22},\n\tissn = {09580344},\n\turl = {http://doi.wiley.com/10.1002/pca.1273},\n\tdoi = {10.1002/pca.1273},\n\tabstract = {Introduction – Direct analysis in real time (DART) ion source is a powerful ionising technique for the quick and easy detection of various organic molecules without any sample preparation steps, but the lack of quantitation capacity limits its extensive use in the field of phytochemical analysis.\nObjective – To improvise a new system which utilize DART-MS as a hyphenated detector for quantitation.\nMethodology – A total extract of Schisandra chinensis fruit was analyzed on a TLC plate and three major lignan compounds were quantitated by three different methods of UV densitometry, TLC-DART-MS and HPLC-UV to compare the efficiency of each method. To introduce the TLC plate into the DART ion source at a constant velocity, a syringe pump was employed. The DART-MS total ion current chromatogram was recorded for the entire TLC plate. The concentration of each lignan compound was calculated from the calibration curve established with standard compound.\nResults – Gomisin A, gomisin N and schisandrin were well separated on a silica-coated TLC plate and the specific ion current chromatograms were successfully acquired from the TLC-DART-MS system. The TLC-DART-MS system for the quantitation of natural products showed better linearity and specificity than TLC densitometry, and consumed less time and solvent than conventional HPLC method.\nConclusion – A hyphenated system for the quantitation of phytochemicals from crude herbal drugs was successfully established. This system was shown to have a powerful analytical capacity for the prompt and efficient quantitation of natural products from crude drugs.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Oh, Myung Sook and Hong, Jongki and Jang, Young Pyo},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {258--262},\n}\n\n\n\n
\n
\n\n\n
\n Introduction – Direct analysis in real time (DART) ion source is a powerful ionising technique for the quick and easy detection of various organic molecules without any sample preparation steps, but the lack of quantitation capacity limits its extensive use in the field of phytochemical analysis. Objective – To improvise a new system which utilize DART-MS as a hyphenated detector for quantitation. Methodology – A total extract of Schisandra chinensis fruit was analyzed on a TLC plate and three major lignan compounds were quantitated by three different methods of UV densitometry, TLC-DART-MS and HPLC-UV to compare the efficiency of each method. To introduce the TLC plate into the DART ion source at a constant velocity, a syringe pump was employed. The DART-MS total ion current chromatogram was recorded for the entire TLC plate. The concentration of each lignan compound was calculated from the calibration curve established with standard compound. Results – Gomisin A, gomisin N and schisandrin were well separated on a silica-coated TLC plate and the specific ion current chromatograms were successfully acquired from the TLC-DART-MS system. The TLC-DART-MS system for the quantitation of natural products showed better linearity and specificity than TLC densitometry, and consumed less time and solvent than conventional HPLC method. Conclusion – A hyphenated system for the quantitation of phytochemicals from crude herbal drugs was successfully established. This system was shown to have a powerful analytical capacity for the prompt and efficient quantitation of natural products from crude drugs.\n
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\n \n\n \n \n \n \n \n \n Allium Discoloration: The Precursor and Formation of the Red Pigment in Giant Onion (Allium giganteum Regel) and Some Other Subgenus Melanocrommyum Species.\n \n \n \n \n\n\n \n Kučerová, P.; Kubec, R.; Šimek, P.; Václavík, L.; and Schraml, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(5): 1821–1828. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AlliumPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kucerova_allium_2011,\n\ttitle = {Allium {Discoloration}: {The} {Precursor} and {Formation} of the {Red} {Pigment} in {Giant} {Onion} ({Allium} giganteum {Regel}) and {Some} {Other} {Subgenus} {Melanocrommyum} {Species}},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf104195k},\n\tdoi = {10.1021/jf104195k},\n\tabstract = {The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).\nThe precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).},\n\tnumber = {5},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Kučerová, Petra and Kubec, Roman and Šimek, Petr and Václavík, Lukáš and Schraml, Jan},\n\tyear = {2011},\n\tkeywords = {S-(2-pyrrolyl)cysteine S-oxide; S-(3-pyrrolyl)cysteine S-oxide; giant onion; Allium giganteum; Melanocrommyum; discoloration; thiosulfinate; pigment; LC−NMR; DART-MS; sulfenic acid; non-protein amino acid; AccuTOF},\n\tpages = {1821--1828},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa). The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).\n
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\n \n\n \n \n \n \n \n \n Ambient desorption ionization mass spectrometry (DART, DESI) and its bioanalytical applications.\n \n \n \n \n\n\n \n Morlock, G.\n\n\n \n\n\n\n Bioanalytical Reviews, 3(1): 1–9. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{morlock_ambient_2011,\n\ttitle = {Ambient desorption ionization mass spectrometry ({DART}, {DESI}) and its bioanalytical applications},\n\tvolume = {3},\n\tissn = {1867-2086},\n\turl = {http://dx.doi.org/10.1007/s12566-010-0019-5},\n\tdoi = {10.1007/s12566-010-0019-5},\n\tabstract = {In recent years, ambient desorption ionization techniques for mass spectrometry were introduced. Among them, the most established techniques are Direct Analysis in Real Time (DART) and Desorption Electrospray Ionization (DESI). Therefore, the current review focuses on the bioanalytical applications of ambient desorption ionization techniques by the example of DART and DESI mass spectrometry. The potential and also limitations of both ambient mass spectrometry (MS) techniques in such areas, as identification and quantitation of small molecules, coupling DART-MS and DESI-MS with planar chromatography, protein/peptide analysis, as well as molecular imaging applications, are discussed.},\n\tnumber = {1},\n\tjournal = {Bioanalytical Reviews},\n\tauthor = {Morlock, Gertrud},\n\tyear = {2011},\n\tkeywords = {Ambient mass spectrometry, Bioanalytical methods, Chemistry and Materials Science, Desorption electrospray ionization – DESI, Direct analysis in real time – DART, identification, quantitation},\n\tpages = {1--9},\n}\n\n\n\n
\n
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\n In recent years, ambient desorption ionization techniques for mass spectrometry were introduced. Among them, the most established techniques are Direct Analysis in Real Time (DART) and Desorption Electrospray Ionization (DESI). Therefore, the current review focuses on the bioanalytical applications of ambient desorption ionization techniques by the example of DART and DESI mass spectrometry. The potential and also limitations of both ambient mass spectrometry (MS) techniques in such areas, as identification and quantitation of small molecules, coupling DART-MS and DESI-MS with planar chromatography, protein/peptide analysis, as well as molecular imaging applications, are discussed.\n
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\n \n\n \n \n \n \n \n \n Current mass spectrometry strategies for the analysis of pesticides and their metabolites in food and water matrices.\n \n \n \n \n\n\n \n Botitsi, H. V.; Garbis, S. D.; Economou, A.; and Tsipi, D. F.\n\n\n \n\n\n\n Mass Spectrometry Reviews, 30(5): 907–939. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"CurrentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{botitsi_current_2011,\n\ttitle = {Current mass spectrometry strategies for the analysis of pesticides and their metabolites in food and water matrices},\n\tvolume = {30},\n\tissn = {1098-2787},\n\turl = {http://dx.doi.org/10.1002/mas.20307},\n\tdoi = {10.1002/mas.20307},\n\tabstract = {Analysis of pesticides and their metabolites in food and water matrices continues to be an active research area closely related to food safety and environmental issues. This review discusses the most widely applied mass spectrometric (MS) approaches to pesticide residues analysis over the last few years. The main techniques for sample preparation remain solvent extraction and solid-phase extraction. The QuEChERS (Quick, Easy, Cheap, Effective, Rugged, Safe) approach is being increasingly used for the development of multi-class pesticide residues methods in various sample matrices. MS detectors—triple quadrupole (QqQ), ion-trap (IT), quadrupole linear ion trap (QqLIT), time-of-flight (TOF), and quadrupole time-of-flight (QqTOF)—have been established as powerful analytical tools sharing a primary role in the detection/quantification and/or identification/confirmation of pesticides and their metabolites. Recent developments in analytical instrumentation have enabled coupling of ultra-performance liquid chromatography (UPLC) and fast gas chromatography (GC) with MS detectors, and faster analysis for a greater number of pesticides. The newly developed “ambient-ionization” MS techniques (e.g., desorption electrospray ionization, DESI, and direct analysis in real time, DART) hyphenated with high-resolution MS platforms without liquid chromatography separation, and sometimes with minimum pre-treatment, have shown potential for pesticide residue screening. The recently introduced Orbitrap mass spectrometers can provide high resolving power and mass accuracy, to tackle complex analytical problems involved in pesticide residue analysis. © 2010 Wiley Periodicals, Inc., Mass Spec Rev 30:907–939, 2011},\n\tnumber = {5},\n\tjournal = {Mass Spectrometry Reviews},\n\tauthor = {Botitsi, Helen V. and Garbis, Spiros D. and Economou, Anastasios and Tsipi, Despina F.},\n\tyear = {2011},\n\tkeywords = {food and water, liquid and gas chromatography, mass spectrometry, pesticides},\n\tpages = {907--939},\n}\n\n\n\n
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\n Analysis of pesticides and their metabolites in food and water matrices continues to be an active research area closely related to food safety and environmental issues. This review discusses the most widely applied mass spectrometric (MS) approaches to pesticide residues analysis over the last few years. The main techniques for sample preparation remain solvent extraction and solid-phase extraction. The QuEChERS (Quick, Easy, Cheap, Effective, Rugged, Safe) approach is being increasingly used for the development of multi-class pesticide residues methods in various sample matrices. MS detectors—triple quadrupole (QqQ), ion-trap (IT), quadrupole linear ion trap (QqLIT), time-of-flight (TOF), and quadrupole time-of-flight (QqTOF)—have been established as powerful analytical tools sharing a primary role in the detection/quantification and/or identification/confirmation of pesticides and their metabolites. Recent developments in analytical instrumentation have enabled coupling of ultra-performance liquid chromatography (UPLC) and fast gas chromatography (GC) with MS detectors, and faster analysis for a greater number of pesticides. The newly developed “ambient-ionization” MS techniques (e.g., desorption electrospray ionization, DESI, and direct analysis in real time, DART) hyphenated with high-resolution MS platforms without liquid chromatography separation, and sometimes with minimum pre-treatment, have shown potential for pesticide residue screening. The recently introduced Orbitrap mass spectrometers can provide high resolving power and mass accuracy, to tackle complex analytical problems involved in pesticide residue analysis. © 2010 Wiley Periodicals, Inc., Mass Spec Rev 30:907–939, 2011\n
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\n \n\n \n \n \n \n \n \n Microwave-Assisted Solution-Phase Synthesis and DART-Mass Spectrometric Monitoring of a Combinatorial Library of Indolin-2,3-dione Schiff Bases with Potential Antimycobacterial Activity.\n \n \n \n \n\n\n \n Aboul-Fadl, T.; Abdel-Aziz, H. A; Kadi, A.; Ahmad, P.; Elsaman, T.; Attwa, M. W; and Darwish, I. A\n\n\n \n\n\n\n Molecules, 16(6): 5194–5206. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"Microwave-AssistedPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{aboul-fadl_microwave-assisted_2011,\n\ttitle = {Microwave-{Assisted} {Solution}-{Phase} {Synthesis} and {DART}-{Mass} {Spectrometric} {Monitoring} of a {Combinatorial} {Library} of {Indolin}-2,3-dione {Schiff} {Bases} with {Potential} {Antimycobacterial} {Activity}},\n\tvolume = {16},\n\turl = {http://www.mdpi.com/1420-3049/16/6/5194/},\n\tabstract = {A combinatorial library composed of eleven hydrazides A-K and eleven indolin-1,2-dione derivatives 1-11 has been designed to formally generate sublibraries of 22 mixtures, M1-M22 comprising of 121 Schiff bases, A-K(1-11). The designed library has been synthesized by the solution-phase method and microwave-assisted synthetic techniques. The formation of individual compounds of each mixture was confirmed by Direct Analysis in Real Time (DART) as ionization technique connected to an Ion Trap as a mass detector. The synthesized mixtures were evaluated for their antimycobacterial activity against four Mycobacterium strains; M. intercellulari, M. xenopi, M. cheleneoi and M. smegmatis. Variable antimycobacterial activity was revealed with the investigated mixtures and maximum activity was shown by M8, M10, M11, and M15 with MIC values of 1.5, 3.1, 6.2 and 0.09 μg/mL, respectively. Application of the indexed method of analysis on these active mixtures revealed that compounds D8, D10 and D11 may contribute to the activity of the tested mixtures.},\n\tnumber = {6},\n\tjournal = {Molecules},\n\tauthor = {Aboul-Fadl, Tarek and Abdel-Aziz, Hatem A and Kadi, Adnan and Ahmad, Pervez and Elsaman, Tilal and Attwa, Mohamed W and Darwish, Ibrahim A},\n\tyear = {2011},\n\tpages = {5194--5206},\n}\n\n\n\n
\n
\n\n\n
\n A combinatorial library composed of eleven hydrazides A-K and eleven indolin-1,2-dione derivatives 1-11 has been designed to formally generate sublibraries of 22 mixtures, M1-M22 comprising of 121 Schiff bases, A-K(1-11). The designed library has been synthesized by the solution-phase method and microwave-assisted synthetic techniques. The formation of individual compounds of each mixture was confirmed by Direct Analysis in Real Time (DART) as ionization technique connected to an Ion Trap as a mass detector. The synthesized mixtures were evaluated for their antimycobacterial activity against four Mycobacterium strains; M. intercellulari, M. xenopi, M. cheleneoi and M. smegmatis. Variable antimycobacterial activity was revealed with the investigated mixtures and maximum activity was shown by M8, M10, M11, and M15 with MIC values of 1.5, 3.1, 6.2 and 0.09 μg/mL, respectively. Application of the indexed method of analysis on these active mixtures revealed that compounds D8, D10 and D11 may contribute to the activity of the tested mixtures.\n
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\n \n\n \n \n \n \n \n \n Principal component directed partial least squares analysis for combining nuclear magnetic resonance and mass spectrometry data in metabolomics: Application to the detection of breast cancer.\n \n \n \n \n\n\n \n Gu, H.; Pan, Z.; Xi, B.; Asiago, V.; Musselman, B.; and Raftery, D.\n\n\n \n\n\n\n Analytica Chimica Acta, 686(1–2): 57–63. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PrincipalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{gu_principal_2011,\n\ttitle = {Principal component directed partial least squares analysis for combining nuclear magnetic resonance and mass spectrometry data in metabolomics: {Application} to the detection of breast cancer},\n\tvolume = {686},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267010014558},\n\tdoi = {10.1016/j.aca.2010.11.040},\n\tabstract = {Nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) are the two most commonly used analytical tools in metabolomics, and their complementary nature makes the combination particularly attractive. A combined analytical approach can improve the potential for providing reliable methods to detect metabolic profile alterations in biofluids or tissues caused by disease, toxicity, etc. In this paper, 1H NMR spectroscopy and direct analysis in real time (DART)-MS were used for the metabolomics analysis of serum samples from breast cancer patients and healthy controls. Principal component analysis (PCA) of the NMR data showed that the first principal component (PC1) scores could be used to separate cancer from normal samples. However, no such obvious clustering could be observed in the PCA score plot of DART-MS data, even though DART-MS can provide a rich and informative metabolic profile. Using a modified multivariate statistical approach, the DART-MS data were then reevaluated by orthogonal signal correction (OSC) pretreated partial least squares (PLS), in which the Y matrix in the regression was set to the PC1 score values from the NMR data analysis. This approach, and a similar one using the first latent variable from PLS-DA of the NMR data resulted in a significant improvement of the separation between the disease samples and normals, and a metabolic profile related to breast cancer could be extracted from DART-MS. The new approach allows the disease classification to be expressed on a continuum as opposed to a binary scale and thus better represents the disease and healthy classifications. An improved metabolic profile obtained by combining MS and NMR by this approach may be useful to achieve more accurate disease detection and gain more insight regarding disease mechanisms and biology.},\n\tnumber = {1–2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Gu, Haiwei and Pan, Zhengzheng and Xi, Bowei and Asiago, Vincent and Musselman, Brian and Raftery, Daniel},\n\tyear = {2011},\n\tkeywords = {Breast cancer, Direct analysis in real time, Human serum, Nuclear magnetic resonance, Orthogonal signal correction, Partial least squares, mass spectrometry, metabolomics},\n\tpages = {57--63},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n Nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) are the two most commonly used analytical tools in metabolomics, and their complementary nature makes the combination particularly attractive. A combined analytical approach can improve the potential for providing reliable methods to detect metabolic profile alterations in biofluids or tissues caused by disease, toxicity, etc. In this paper, 1H NMR spectroscopy and direct analysis in real time (DART)-MS were used for the metabolomics analysis of serum samples from breast cancer patients and healthy controls. Principal component analysis (PCA) of the NMR data showed that the first principal component (PC1) scores could be used to separate cancer from normal samples. However, no such obvious clustering could be observed in the PCA score plot of DART-MS data, even though DART-MS can provide a rich and informative metabolic profile. Using a modified multivariate statistical approach, the DART-MS data were then reevaluated by orthogonal signal correction (OSC) pretreated partial least squares (PLS), in which the Y matrix in the regression was set to the PC1 score values from the NMR data analysis. This approach, and a similar one using the first latent variable from PLS-DA of the NMR data resulted in a significant improvement of the separation between the disease samples and normals, and a metabolic profile related to breast cancer could be extracted from DART-MS. The new approach allows the disease classification to be expressed on a continuum as opposed to a binary scale and thus better represents the disease and healthy classifications. An improved metabolic profile obtained by combining MS and NMR by this approach may be useful to achieve more accurate disease detection and gain more insight regarding disease mechanisms and biology.\n
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\n \n\n \n \n \n \n \n \n Rapid identification and absence of drug tests for AG-013736 in 1 mg Axitinib tablets by ion mobility spectrometry and DART™ mass spectrometry.\n \n \n \n \n\n\n \n Likar, M. D.; Cheng, G.; Mahajan, N.; and Zhang, Z.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 55(3): 569–573. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{likar_rapid_2011,\n\ttitle = {Rapid identification and absence of drug tests for {AG}-013736 in 1 mg {Axitinib} tablets by ion mobility spectrometry and {DART}™ mass spectrometry},\n\tvolume = {55},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708511001099},\n\tdoi = {10.1016/j.jpba.2011.02.021},\n\tabstract = {Axitinib (AG-013736) is a potent investigational drug that has antitumor activity in patients with metastatic renal cell carcinoma and other types of cancers. In this study, ion mobility spectrometry and “direct analysis in real time” (DART™) mass spectrometry were used to rapidly identify AG-013736 in drug substance samples and 1\\&\\#xa0;mg Axitinib tablets. The plasmagrams of the sample solutions exhibited a major peak with a reduced ion mobility that was within ±0.0002\\&\\#xa0;cm2\\&\\#xa0;V−1\\&\\#xa0;s−1 of that for AG-013736 in an external reference standard solution. The DART ionization source was coupled with both a time-of-flight mass spectrometer and a lower-resolution ion trap mass spectrometer. Samples were analyzed by this technique in as little as 5\\&\\#xa0;s with minimal to no sample preparation required. The isotopic masses of the protonated dimer ions of AG-013736 were used to identify AG-013736 in the active tablet. Both techniques were also used to develop low-level limit tests for rapidly verifying the presence or absence of AG-013736 in blinded clinical supplies of active and matching placebo tablets of Axitinib.},\n\tnumber = {3},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Likar, Michael D. and Cheng, Guilong and Mahajan, Nidhi and Zhang, Zhongli},\n\tyear = {2011},\n\tkeywords = {Axitinib, Direct analysis in real time, Ion mobility spectrometry, Ion mobility spectrometry; Direct analysis in real time; Mass spectrometry; Axitinib; AccuTOF, mass spectrometry},\n\tpages = {569--573},\n}\n\n\n\n
\n
\n\n\n
\n Axitinib (AG-013736) is a potent investigational drug that has antitumor activity in patients with metastatic renal cell carcinoma and other types of cancers. In this study, ion mobility spectrometry and “direct analysis in real time” (DART™) mass spectrometry were used to rapidly identify AG-013736 in drug substance samples and 1 mg Axitinib tablets. The plasmagrams of the sample solutions exhibited a major peak with a reduced ion mobility that was within ±0.0002 cm2 V−1 s−1 of that for AG-013736 in an external reference standard solution. The DART ionization source was coupled with both a time-of-flight mass spectrometer and a lower-resolution ion trap mass spectrometer. Samples were analyzed by this technique in as little as 5 s with minimal to no sample preparation required. The isotopic masses of the protonated dimer ions of AG-013736 were used to identify AG-013736 in the active tablet. Both techniques were also used to develop low-level limit tests for rapidly verifying the presence or absence of AG-013736 in blinded clinical supplies of active and matching placebo tablets of Axitinib.\n
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\n \n\n \n \n \n \n \n \n Validation of Thin Layer Chromatography with AccuTOF-DART™ Detection for Forensic Drug Analysis*.\n \n \n \n \n\n\n \n Howlett, S. E.; and Steiner, R. R.\n\n\n \n\n\n\n Journal of Forensic Sciences, 56(5): 1261–1267. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{howlett_validation_2011,\n\ttitle = {Validation of {Thin} {Layer} {Chromatography} with {AccuTOF}-{DART}™ {Detection} for {Forensic} {Drug} {Analysis}*},\n\tvolume = {56},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2011.01881.x},\n\tdoi = {10.1111/j.1556-4029.2011.01881.x},\n\tabstract = {Abstract:  Thin layer chromatography (TLC) is a technique that is commonly employed in the forensic drug analysis of pharmaceutical preparations. Detection is typically accomplished using various visualization spray reagents. Conventional gas chromatography–mass spectrometry (GC-MS) analysis is typically performed to confirm the TLC results. Depending on the drugs tested and the instrument conditions required, this confirmation can take up to an hour to complete. Direct analysis in real time (DART™) is an ionization source, coupled to an accurate-mass time-of-flight mass spectrometer that has the capability to ionize materials under ambient conditions. To streamline analysis, the combination of TLC with DART™ detection is proposed to screen and subsequently identify drug compounds, all from the same TLC plate. DART™ confirmations of TLC analyses take {\\textless}10 min to complete and compare favorably to GC-MS in sensitivity and selectivity. This study validates the use of TLC-DART in the forensic identification of the components of several pharmaceutical preparations.},\n\tnumber = {5},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Howlett, Susanne E. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time, controlled substances, forensic science, forensic science; controlled substances; thin layer chromatography; direct analysis in real time; mass spectrometry; time of flight; AccuTOF, mass spectrometry, thin layer chromatography, time of flight},\n\tpages = {1261--1267},\n}\n\n\n\n
\n
\n\n\n
\n Abstract:  Thin layer chromatography (TLC) is a technique that is commonly employed in the forensic drug analysis of pharmaceutical preparations. Detection is typically accomplished using various visualization spray reagents. Conventional gas chromatography–mass spectrometry (GC-MS) analysis is typically performed to confirm the TLC results. Depending on the drugs tested and the instrument conditions required, this confirmation can take up to an hour to complete. Direct analysis in real time (DART™) is an ionization source, coupled to an accurate-mass time-of-flight mass spectrometer that has the capability to ionize materials under ambient conditions. To streamline analysis, the combination of TLC with DART™ detection is proposed to screen and subsequently identify drug compounds, all from the same TLC plate. DART™ confirmations of TLC analyses take \\textless10 min to complete and compare favorably to GC-MS in sensitivity and selectivity. This study validates the use of TLC-DART in the forensic identification of the components of several pharmaceutical preparations.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Coupled to Multiplexed Drift Tube Ion Mobility Spectrometry for Detecting Toxic Chemicals.\n \n \n \n \n\n\n \n Harris, G. A.; Kwasnik, M.; and Fernández, F. M.\n\n\n \n\n\n\n Anal. Chem., 83(6): 1908–1915. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{harris_direct_2011,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Coupled} to {Multiplexed} {Drift} {Tube} {Ion} {Mobility} {Spectrometry} for {Detecting} {Toxic} {Chemicals}},\n\tvolume = {83},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac102246h},\n\tdoi = {10.1021/ac102246h},\n\tabstract = {Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95\\% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81\\% v/v for DMMP, 1.13\\% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28\\% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.\nCurrent and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95\\% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81\\% v/v for DMMP, 1.13\\% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28\\% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.},\n\tnumber = {6},\n\tjournal = {Anal. Chem.},\n\tauthor = {Harris, Glenn A. and Kwasnik, Mark and Fernández, Facundo M.},\n\tyear = {2011},\n\tpages = {1908--1915},\n}\n\n\n\n
\n
\n\n\n
\n Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81% v/v for DMMP, 1.13% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections. Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81% v/v for DMMP, 1.13% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.\n
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\n \n\n \n \n \n \n \n \n Surface swabbing technique for the rapid screening for pesticides using ambient pressure desorption ionization with high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Edison, S. E.; Lin, L. A.; Gamble, B. M.; Wong, J.; and Zhang, K.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(1): 127–139. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SurfacePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{edison_surface_2011,\n\ttitle = {Surface swabbing technique for the rapid screening for pesticides using ambient pressure desorption ionization with high-resolution mass spectrometry},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4831},\n\tdoi = {10.1002/rcm.4831},\n\tabstract = {A rapid screening method for pesticides has been developed to promote more efficient processing of produce entering the United States. Foam swabs were used to recover a multiclass mixture of 132 pesticides from the surfaces of grapes, apples, and oranges. The swabs were analyzed using direct analysis in real time (DART) ionization coupled with a high-resolution Exactive Orbitrap™ mass spectrometer. By using a DART helium temperature gradient from 100–350°C over 3 min, a minimal separation of analytes based on volatility differences was achieved. This, combined with the Exactive's mass resolution of 100 000, allowed the chromatographic step, along with the typical compositing and extraction steps associated with gas chromatography/mass spectrometry (GC/MS) or liquid chromatography/mass spectrometry (LC/MS) approaches, to be eliminated. Detection of 86\\% of the analytes present was consistently achieved at levels of 2 ng/g (per each apple or orange) and 10 ng/g (per grape). A resolution study was conducted with four pairs of isobaric compounds analyzed at a mass resolution of 100 000. Baseline separation was achieved with analyte ions differing in mass by 25 ppm and analyte ions with a mass difference of 10 ppm were partially resolved. In addition, field samples that had undergone traditional sample preparation using QuEChERS (quick, easy, cheap, rugged, and safe) were analyzed using both LC/MS and DART-MS and the results from the two techniques were found to be comparable in terms of identification of the pesticides present. The use of swabs greatly increased sample throughput by reducing sample preparation and analysis time. Published in 2010 by John Wiley \\& Sons, Ltd.},\n\tnumber = {1},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Edison, Sara. E. and Lin, Lora A. and Gamble, Bryan M. and Wong, Jon and Zhang, Kai},\n\tyear = {2011},\n\tkeywords = {Orbitrap},\n\tpages = {127--139},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n A rapid screening method for pesticides has been developed to promote more efficient processing of produce entering the United States. Foam swabs were used to recover a multiclass mixture of 132 pesticides from the surfaces of grapes, apples, and oranges. The swabs were analyzed using direct analysis in real time (DART) ionization coupled with a high-resolution Exactive Orbitrap™ mass spectrometer. By using a DART helium temperature gradient from 100–350°C over 3 min, a minimal separation of analytes based on volatility differences was achieved. This, combined with the Exactive's mass resolution of 100 000, allowed the chromatographic step, along with the typical compositing and extraction steps associated with gas chromatography/mass spectrometry (GC/MS) or liquid chromatography/mass spectrometry (LC/MS) approaches, to be eliminated. Detection of 86% of the analytes present was consistently achieved at levels of 2 ng/g (per each apple or orange) and 10 ng/g (per grape). A resolution study was conducted with four pairs of isobaric compounds analyzed at a mass resolution of 100 000. Baseline separation was achieved with analyte ions differing in mass by 25 ppm and analyte ions with a mass difference of 10 ppm were partially resolved. In addition, field samples that had undergone traditional sample preparation using QuEChERS (quick, easy, cheap, rugged, and safe) were analyzed using both LC/MS and DART-MS and the results from the two techniques were found to be comparable in terms of identification of the pesticides present. The use of swabs greatly increased sample throughput by reducing sample preparation and analysis time. Published in 2010 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Rapid screening for synthetic antidiabetic drug adulteration in herbal dietary supplements using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Zhou, Z.; Zhang, J.; Zhang, W.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analyst, 136(12): 2613–2618. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhou_rapid_2011,\n\ttitle = {Rapid screening for synthetic antidiabetic drug adulteration in herbal dietary supplements using direct analysis in real time mass spectrometry},\n\tvolume = {136},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C0AN01047B},\n\tabstract = {Adulteration of herbal supplements with synthetic drugs is illegal. A rapid and reliable method which utilizes direct analysis in real time mass spectrometry (DART-MS) was developed for the identification of seven synthetic antidiabetic drugs used as adulterants in herbal dietary supplements. The supplement sample was simply extracted with methanol/water by manually shaking several times and directly analyzed using DART-MS. The presence of synthetic drug adulterants was confirmed through the accurate m/z values and MS/MS data obtained via quadruple time of flight mass spectrometry (QTOF MS). Parameters for the DART source were systematically optimized, and the limits of detection (LODs) in herbal supplement matrices were measured. This method was successfully applied to examine five commercial herbal dietary supplements, and two of them proved to be adulterated with metformin without labeling.},\n\tnumber = {12},\n\tjournal = {Analyst},\n\tauthor = {Zhou, Zhigui and Zhang, Jialing and Zhang, Wei and Bai, Yu and Liu, Huwei},\n\tyear = {2011},\n\tpages = {2613--2618},\n}\n\n\n\n
\n
\n\n\n
\n Adulteration of herbal supplements with synthetic drugs is illegal. A rapid and reliable method which utilizes direct analysis in real time mass spectrometry (DART-MS) was developed for the identification of seven synthetic antidiabetic drugs used as adulterants in herbal dietary supplements. The supplement sample was simply extracted with methanol/water by manually shaking several times and directly analyzed using DART-MS. The presence of synthetic drug adulterants was confirmed through the accurate m/z values and MS/MS data obtained via quadruple time of flight mass spectrometry (QTOF MS). Parameters for the DART source were systematically optimized, and the limits of detection (LODs) in herbal supplement matrices were measured. This method was successfully applied to examine five commercial herbal dietary supplements, and two of them proved to be adulterated with metformin without labeling.\n
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\n \n\n \n \n \n \n \n \n Analysis of Alprazolam by DART-TOF Mass Spectrometry in Counterfeit and Routine Drug Identification Cases.\n \n \n \n \n\n\n \n Samms, W. C.; Jiang, Y. J.; Dixon, M. D.; Houck, S. S.; and Mozayani, A.\n\n\n \n\n\n\n Journal of Forensic Sciences, 56(4): 993–998. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{samms_analysis_2011,\n\ttitle = {Analysis of {Alprazolam} by {DART}-{TOF} {Mass} {Spectrometry} in {Counterfeit} and {Routine} {Drug} {Identification} {Cases}},\n\tvolume = {56},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2011.01767.x},\n\tdoi = {10.1111/j.1556-4029.2011.01767.x},\n\tabstract = {Abstract:  The high prevalence of alprazolam abuse translates to an increased workload for crime laboratories in characterizing seized tablets. These tablets may originate as diverted pharmaceuticals or counterfeited mimics, so efficient analytical techniques should provide confirmatory data while minimizing destruction of evidence. We offer the first report of a validated forensic method for confirming alprazolam tablets by direct analysis in real time–time of flight (DART-TOF) mass spectrometric analysis. This technique provides rapid identification of target analytes with minimal sample preparation, allowing direct analysis in the atmospheric sample gap. Selectivity is achieved through high resolution and mass accuracy, unique ion fragments, and chlorine isotopic ratios. This method utilizes fragmentation in two separate voltage functions to observe the alprazolam pseudo molecular ion at 309.09070 using 40 V and major ion fragments of 281.07197 and 205.07657 at 120 V. These parameters allow our laboratory to confirm alprazolam tablets efficiently, without compromising quality forensic standards.},\n\tnumber = {4},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Samms, Warren C. and Jiang, Yongyi Julia and Dixon, Mark D. and Houck, Stephen S. and Mozayani, Ashraf},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Direct analysis in real time, alprazolam, confirmation, controlled substances, counterfeit, forensic science},\n\tpages = {993--998},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Abstract:  The high prevalence of alprazolam abuse translates to an increased workload for crime laboratories in characterizing seized tablets. These tablets may originate as diverted pharmaceuticals or counterfeited mimics, so efficient analytical techniques should provide confirmatory data while minimizing destruction of evidence. We offer the first report of a validated forensic method for confirming alprazolam tablets by direct analysis in real time–time of flight (DART-TOF) mass spectrometric analysis. This technique provides rapid identification of target analytes with minimal sample preparation, allowing direct analysis in the atmospheric sample gap. Selectivity is achieved through high resolution and mass accuracy, unique ion fragments, and chlorine isotopic ratios. This method utilizes fragmentation in two separate voltage functions to observe the alprazolam pseudo molecular ion at 309.09070 using 40 V and major ion fragments of 281.07197 and 205.07657 at 120 V. These parameters allow our laboratory to confirm alprazolam tablets efficiently, without compromising quality forensic standards.\n
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\n \n\n \n \n \n \n \n \n Qualitative Analysis of Tackifier Resins in Pressure Sensitive Adhesives Using Direct Analysis in Real Time Time-of-Flight Mass Spectrometry.\n \n \n \n \n\n\n \n Mess, A.; Vietzke, J.; Rapp, C.; and Francke, W.\n\n\n \n\n\n\n Anal. Chem., 83(19): 7323–7330. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"QualitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{mess_qualitative_2011,\n\ttitle = {Qualitative {Analysis} of {Tackifier} {Resins} in {Pressure} {Sensitive} {Adhesives} {Using} {Direct} {Analysis} in {Real} {Time} {Time}-of-{Flight} {Mass} {Spectrometry}},\n\tvolume = {83},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac2011608},\n\tdoi = {10.1021/ac2011608},\n\tabstract = {Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1\\% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.\nTackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1\\% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.},\n\tnumber = {19},\n\tjournal = {Anal. Chem.},\n\tauthor = {Mess, Aylin and Vietzke, Jens-Peter and Rapp, Claudius and Francke, Wittko},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {7323--7330},\n}\n\n\n\n
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\n\n\n
\n Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs. Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.\n
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\n \n\n \n \n \n \n \n Study on rapid and direct analysis of illegally added six PDE5 inhibitors in health food by DART-MS/MS method.\n \n \n \n\n\n \n CHENG, Xian-lon; LI ,Wen-jie; LI, Wei-jian; XIAO, Xin-yue; LIN, Rui-chao; and WEI, Feng\n\n\n \n\n\n\n Chinese Journal of Pharmaceutical Analysis, 31: 438–442. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{cheng_xian-lon_study_2011,\n\ttitle = {Study on rapid and direct analysis of illegally added six {PDE5} inhibitors in health food by {DART}-{MS}/{MS} method},\n\tvolume = {31},\n\tdoi = {CNKI:SUN:YWFX.0.2011-03-005},\n\tabstract = {To develop a directed analysis of 6 phosphodiesterase 5(PDE5)inhibitors:sildenafil,tadalafil,acetildenafil,hydroxyhomosildenafil,aminotadalafil,pseudo-vardenfil in health food.Methods:Triple quadrupol MS with DART ion souce was used to perform the direct analysis.The DART sampler delivery rate was 0.2 mm·s-1.The temperature of carry gas of DART was 450 ℃.The capillary voltage was kept at 4 kV.The temperature of the drying gas of triple quadrupol MS was set at 350 ℃.The flow rate of the drying gas of triple quadrupol MS was set at 10 L·min-1,respectively.Product ion scan mode was used with scan range from 50-550 amu.The precursor ions were set as m/z 475.1(sildenafil),m/z 467.2(acetildenafil),m/z 505.1(hydroxyhomosildenafil),m/z 390.1(tadalafil),m/z 391.2(aminotadalafil),m/z 460.3(pseudo-vardenfil).The identification was performed by comparing the mass spectrum of detected peak in samples with the mass spectrum of peak in reference substance.Results:The limit of detection for each of 6 PDE5 inhibitors was under 1 μg·g-1.Sildenafil was detected in 6 samples,and tadalafil was detected in 1 sample.Conclusion:The method is employed to simultaneous detection of 6 PDE5 inhibitors in health food.},\n\tjournal = {Chinese Journal of Pharmaceutical Analysis},\n\tauthor = {{CHENG, Xian-lon} and {LI ,Wen-jie} and {LI, Wei-jian} and {XIAO, Xin-yue} and {LIN, Rui-chao} and {WEI, Feng}},\n\tyear = {2011},\n\tpages = {438--442},\n}\n\n\n\n
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\n To develop a directed analysis of 6 phosphodiesterase 5(PDE5)inhibitors:sildenafil,tadalafil,acetildenafil,hydroxyhomosildenafil,aminotadalafil,pseudo-vardenfil in health food.Methods:Triple quadrupol MS with DART ion souce was used to perform the direct analysis.The DART sampler delivery rate was 0.2 mm·s-1.The temperature of carry gas of DART was 450 ℃.The capillary voltage was kept at 4 kV.The temperature of the drying gas of triple quadrupol MS was set at 350 ℃.The flow rate of the drying gas of triple quadrupol MS was set at 10 L·min-1,respectively.Product ion scan mode was used with scan range from 50-550 amu.The precursor ions were set as m/z 475.1(sildenafil),m/z 467.2(acetildenafil),m/z 505.1(hydroxyhomosildenafil),m/z 390.1(tadalafil),m/z 391.2(aminotadalafil),m/z 460.3(pseudo-vardenfil).The identification was performed by comparing the mass spectrum of detected peak in samples with the mass spectrum of peak in reference substance.Results:The limit of detection for each of 6 PDE5 inhibitors was under 1 μg·g-1.Sildenafil was detected in 6 samples,and tadalafil was detected in 1 sample.Conclusion:The method is employed to simultaneous detection of 6 PDE5 inhibitors in health food.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time coupled with dried spot sampling for bioanalysis in a drug-discovery setting.\n \n \n \n \n\n\n \n Crawford, E.; Gordon, J.; Wu, J.; Musselman, B.; Liu, R.; and Yu, S.\n\n\n \n\n\n\n Bioanalysis, 3(11): 1217–1226. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{crawford_direct_2011,\n\ttitle = {Direct analysis in real time coupled with dried spot sampling for bioanalysis in a drug-discovery setting},\n\tvolume = {3},\n\tissn = {1757-6180},\n\turl = {http://dx.doi.org/10.4155/bio.11.99},\n\tdoi = {10.4155/bio.11.99},\n\tabstract = {Background: Conventional mouse or rat pharmacokinetic/toxicokinetic (PK/TK) studies frequently require sacrifice or use of multiple animals for a full time-course in order to obtain adequate blood volume. Currently accepted LC–MS/MS analyses require tedious sample preparation and large blood volume, therefore, a bioanalytical method with a simpler blood-sampling procedure using fewer animals, lower sample volume and no additional sample preparation is desirable. Results: We have developed a method that combines the direct analysis in real time (DART) open-air ambient ionization source and MS/MS to directly analyze dried blood spots (DBS) on glass from low volume whole blood samples without additional sample preparation or manipulation of the spots. Single mouse serial bleeding was performed for sample collection for DART-MS/MS and the results were comparable to the conventional terminal bleeding method for LC–MS/MS. Conclusion: The DART-MS/MS method was applied to DBS sampling for PK/TK studies and also for in vitro screening of absorption, distribution, metabolism and excretion properties. The results from the DART-MS/MS approach correlated well with the LC–MS/MS analyses for comparison.},\n\tnumber = {11},\n\tjournal = {Bioanalysis},\n\tauthor = {Crawford, Elizabeth and Gordon, Justin and Wu, Jing-Tao and Musselman, Brian and Liu, Ray and Yu, Shaoxia},\n\tyear = {2011},\n\tpages = {1217--1226},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Background: Conventional mouse or rat pharmacokinetic/toxicokinetic (PK/TK) studies frequently require sacrifice or use of multiple animals for a full time-course in order to obtain adequate blood volume. Currently accepted LC–MS/MS analyses require tedious sample preparation and large blood volume, therefore, a bioanalytical method with a simpler blood-sampling procedure using fewer animals, lower sample volume and no additional sample preparation is desirable. Results: We have developed a method that combines the direct analysis in real time (DART) open-air ambient ionization source and MS/MS to directly analyze dried blood spots (DBS) on glass from low volume whole blood samples without additional sample preparation or manipulation of the spots. Single mouse serial bleeding was performed for sample collection for DART-MS/MS and the results were comparable to the conventional terminal bleeding method for LC–MS/MS. Conclusion: The DART-MS/MS method was applied to DBS sampling for PK/TK studies and also for in vitro screening of absorption, distribution, metabolism and excretion properties. The results from the DART-MS/MS approach correlated well with the LC–MS/MS analyses for comparison.\n
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\n \n\n \n \n \n \n \n \n Clarification of the composition of [M+18] ions in DART mass spectra of polyethylene glycol using high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E.; Ovcharov, M.; Zatonskii, G.; Abramovich, R.; and Revelskii, I.\n\n\n \n\n\n\n Journal of Analytical Chemistry, 66(13): 1348–1351. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ClarificationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_clarification_2011,\n\ttitle = {Clarification of the composition of [{M}+18] ions in {DART} mass spectra of polyethylene glycol using high-resolution mass spectrometry},\n\tvolume = {66},\n\tissn = {1061-9348},\n\turl = {http://dx.doi.org/10.1134/S1061934811130016},\n\tabstract = {10.1134/S1061934811130016},\n\tnumber = {13},\n\tjournal = {Journal of Analytical Chemistry},\n\tauthor = {Chernetsova, E. and Ovcharov, M. and Zatonskii, G. and Abramovich, R. and Revelskii, I.},\n\tyear = {2011},\n\tpages = {1348--1351},\n}\n\n\n\n
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\n 10.1134/S1061934811130016\n
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\n \n\n \n \n \n \n \n \n Practical considerations for the rapid screening for pesticides using ambient pressure desorption ionisation with high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Edison, S.; Lin, L.; and Parrales, L.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 28(10): 1393–1404. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PracticalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{edison_practical_2011,\n\ttitle = {Practical considerations for the rapid screening for pesticides using ambient pressure desorption ionisation with high-resolution mass spectrometry},\n\tvolume = {28},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2011.596165},\n\tdoi = {10.1080/19440049.2011.596165},\n\tabstract = {A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80\\% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.\nA rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80\\% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.},\n\tnumber = {10},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Edison, S.E. and Lin, L.A. and Parrales, L.},\n\tyear = {2011},\n\tpages = {1393--1404},\n}\n\n\n\n
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\n A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode. A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.\n
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\n \n\n \n \n \n \n \n \n Thin Layer Chromatography/Plasma Assisted Multiwavelength Laser Desorption Ionization Mass Spectrometry for Facile Separation and Selective Identification of Low Molecular Weight Compounds.\n \n \n \n \n\n\n \n Zhang, J.; Zhou, Z.; Yang, J.; Zhang, W.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Anal. Chem., 84(3): 1496–1503. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ThinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zhang_thin_2011,\n\ttitle = {Thin {Layer} {Chromatography}/{Plasma} {Assisted} {Multiwavelength} {Laser} {Desorption} {Ionization} {Mass} {Spectrometry} for {Facile} {Separation} and {Selective} {Identification} of {Low} {Molecular} {Weight} {Compounds}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac202732y},\n\tdoi = {10.1021/ac202732y},\n\tabstract = {A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.\nA novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.},\n\tnumber = {3},\n\tjournal = {Anal. Chem.},\n\tauthor = {Zhang, Jialing and Zhou, Zhigui and Yang, Jianwang and Zhang, Wei and Bai, Yu and Liu, Huwei},\n\tyear = {2011},\n\tkeywords = {DART, LDI, laser desorption, TLC},\n\tpages = {1496--1503},\n}\n\n\n\n
\n
\n\n\n
\n A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2. A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.\n
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\n \n\n \n \n \n \n \n \n Identification of ambiguous cubeb fruit by DART-MS-based fingerprinting combined with principal component analysis.\n \n \n \n \n\n\n \n Kim, H. J.; Baek, W. S.; and Jang, Y. P.\n\n\n \n\n\n\n Food Chemistry, 129(3): 1305–1310. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kim_identification_2011,\n\ttitle = {Identification of ambiguous cubeb fruit by {DART}-{MS}-based fingerprinting combined with principal component analysis},\n\tvolume = {129},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814611007862},\n\tdoi = {10.1016/j.foodchem.2011.05.083},\n\tabstract = {The cubeb berry has been used as a spice and medicinal herb since medieval times. In China, Litsea cubeba (Lauraceae) has been designated as the cubeb tree; in other countries, Piper cubeba (Piperaceae) is considered as the cubeb. Since most cubeb berries in the Korean market are imported from China, there is a need to develop an efficient analytical method for the identification of the origin of cubeb fruit. Thirty-two commercial cubeb samples were collected from China, Korea, and Indonesia, and direct analysis in real time mass spectrometry (DART-MS) was employed to obtain a chemical fingerprint of each sample for multivariate analysis. Cubebene was identified as a marker molecule for P. cubeba, and all cubeb samples from Korean markets were identified as the fruit of L. cubeba. DART-MS fingerprinting together with principal component analysis can be applied as a promising method for rapid identification and/or quality control of cubeb berries.},\n\tnumber = {3},\n\tjournal = {Food Chemistry},\n\tauthor = {Kim, Hye Jin and Baek, Wan Sook and Jang, Young Pyo},\n\tyear = {2011},\n\tkeywords = {Cubeb berries, Cubeb berries; Piper cubeba; Litsea cubeba; DART-MS; Principal component analysis; AccuTOF, DART-MS, Litsea cubeba, Piper cubeba, Principal component analysis},\n\tpages = {1305--1310},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n\n\n
\n The cubeb berry has been used as a spice and medicinal herb since medieval times. In China, Litsea cubeba (Lauraceae) has been designated as the cubeb tree; in other countries, Piper cubeba (Piperaceae) is considered as the cubeb. Since most cubeb berries in the Korean market are imported from China, there is a need to develop an efficient analytical method for the identification of the origin of cubeb fruit. Thirty-two commercial cubeb samples were collected from China, Korea, and Indonesia, and direct analysis in real time mass spectrometry (DART-MS) was employed to obtain a chemical fingerprint of each sample for multivariate analysis. Cubebene was identified as a marker molecule for P. cubeba, and all cubeb samples from Korean markets were identified as the fruit of L. cubeba. DART-MS fingerprinting together with principal component analysis can be applied as a promising method for rapid identification and/or quality control of cubeb berries.\n
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\n \n\n \n \n \n \n \n \n Direct analysis of dithiocarbamate fungicides in fruit by ambient mass spectrometry.\n \n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Zomer, P.; Mol, H.; and Hajslova, J.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 28(10): 1372–1382. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cajka_direct_2011,\n\ttitle = {Direct analysis of dithiocarbamate fungicides in fruit by ambient mass spectrometry},\n\tvolume = {28},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2011.590456},\n\tdoi = {10.1080/19440049.2011.590456},\n\tabstract = {Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.\nDithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.},\n\tnumber = {10},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Cajka, Tomas and Riddellova, Katerina and Zomer, Paul and Mol, Hans and Hajslova, Jana},\n\tyear = {2011},\n\tpages = {1372--1382},\n}\n\n\n\n
\n
\n\n\n
\n Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained. Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.\n
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\n \n\n \n \n \n \n \n \n New approach to detecting counterfeit drugs in tablets by DART mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E.; Bochkov, P.; Zatonskii, G.; and Abramovich, R.\n\n\n \n\n\n\n Pharmaceutical Chemistry Journal, 45(5): 306–308. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"NewPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_new_2011,\n\ttitle = {New approach to detecting counterfeit drugs in tablets by {DART} mass spectrometry},\n\tvolume = {45},\n\tissn = {0091-150X},\n\turl = {http://dx.doi.org/10.1007/s11094-011-0622-y},\n\tabstract = {The possibility of using DART mass spectrometry for the identification of active ingredients in tableted drugs has been studied. Analytical results for some drugs such as glycin, nootropyl, anaprilin, mexidol, and biseptol are presented. The benefits and limitations of DART mass spectrometry as applied to fast screening of tableted pharmaceuticals for detecting counterfeits are discussed.},\n\tnumber = {5},\n\tjournal = {Pharmaceutical Chemistry Journal},\n\tauthor = {Chernetsova, E. and Bochkov, P. and Zatonskii, G. and Abramovich, R.},\n\tyear = {2011},\n\tpages = {306--308},\n}\n\n\n\n
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\n The possibility of using DART mass spectrometry for the identification of active ingredients in tableted drugs has been studied. Analytical results for some drugs such as glycin, nootropyl, anaprilin, mexidol, and biseptol are presented. The benefits and limitations of DART mass spectrometry as applied to fast screening of tableted pharmaceuticals for detecting counterfeits are discussed.\n
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\n \n\n \n \n \n \n \n \n Evaluation of direct analysis in real time mass spectrometry for onsite monitoring of batch slurry reactions.\n \n \n \n \n\n\n \n Cho, D. S.; Gibson, S. C.; Bhandari, D.; McNally, M. E.; Hoffman, R. M.; Cook, K. D.; and Song, L.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(23): 3575–3580. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cho_evaluation_2011,\n\ttitle = {Evaluation of direct analysis in real time mass spectrometry for onsite monitoring of batch slurry reactions},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5269},\n\tdoi = {10.1002/rcm.5269},\n\tabstract = {Batch slurry reactions are widely used in the industrial manufacturing of chemicals, pharmaceuticals, petrochemicals and polymers. However, onsite monitoring of batch slurry reactions is still not feasible in production plants due to the challenge in analyzing heterogeneous samples without complicated sample preparation procedures. In this study, direct analysis in real time mass spectrometry (DART-MS) has been evaluated for the onsite monitoring of a model batch slurry reaction. The results suggested that automation of the sampling process of DART-MS is important to achieve quantitative results. With a sampling technique of manual sample deposition on melting point capillaries followed by automatic sample introduction across the helium beam, relative standard deviation (RSD) of the protonated molecule signals from the reaction product of the model batch slurry reaction ranged from 6 to 30\\%. This RSD range is improved greatly over a sampling technique of manual sample deposition followed by manual sample introduction where the RSDs are up to 110\\%. Furthermore, with the semi-automated sampling approach, semi-quantitative analysis of slurry samples has been achieved. Better quantification is expected with a fully automated sampling approach. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {23},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Cho, David S. and Gibson, Stephen C. and Bhandari, Deepak and McNally, Mary Ellen and Hoffman, Ron M. and Cook, Kelsey D. and Song, Liguo},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {3575--3580},\n}\n\n\n\n
\n
\n\n\n
\n Batch slurry reactions are widely used in the industrial manufacturing of chemicals, pharmaceuticals, petrochemicals and polymers. However, onsite monitoring of batch slurry reactions is still not feasible in production plants due to the challenge in analyzing heterogeneous samples without complicated sample preparation procedures. In this study, direct analysis in real time mass spectrometry (DART-MS) has been evaluated for the onsite monitoring of a model batch slurry reaction. The results suggested that automation of the sampling process of DART-MS is important to achieve quantitative results. With a sampling technique of manual sample deposition on melting point capillaries followed by automatic sample introduction across the helium beam, relative standard deviation (RSD) of the protonated molecule signals from the reaction product of the model batch slurry reaction ranged from 6 to 30%. This RSD range is improved greatly over a sampling technique of manual sample deposition followed by manual sample introduction where the RSDs are up to 110%. Furthermore, with the semi-automated sampling approach, semi-quantitative analysis of slurry samples has been achieved. Better quantification is expected with a fully automated sampling approach. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n High-performance liquid chromatography coupled to direct analysis in real time mass spectrometry: Investigations on gradient elution and influence of complex matrices on signal intensities.\n \n \n \n \n\n\n \n Beißmann, S.; Buchberger, W.; Hertsens, R.; and Klampfl, C. W.\n\n\n \n\n\n\n Journal of Chromatography A, 1218(31): 5180–5186. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"High-performancePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{beismann_high-performance_2011,\n\ttitle = {High-performance liquid chromatography coupled to direct analysis in real time mass spectrometry: {Investigations} on gradient elution and influence of complex matrices on signal intensities},\n\tvolume = {1218},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967311007692},\n\tdoi = {10.1016/j.chroma.2011.05.092},\n\tnumber = {31},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Beißmann, Susanne and Buchberger, Wolfgang and Hertsens, Robert and Klampfl, Christian W.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time, HPLC, Hyphenated methods},\n\tpages = {5180--5186},\n}\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n \n Current mass spectrometry strategies for the analysis of pesticides and their metabolites in food and water matrices.\n \n \n \n \n\n\n \n Botitsi, H. V.; Garbis, S. D.; Economou, A.; and Tsipi, D. F.\n\n\n \n\n\n\n Mass Spectrometry Reviews, 30(5): 907–939. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"CurrentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{botitsi_current_2011,\n\ttitle = {Current mass spectrometry strategies for the analysis of pesticides and their metabolites in food and water matrices},\n\tvolume = {30},\n\tissn = {1098-2787},\n\turl = {http://dx.doi.org/10.1002/mas.20307},\n\tdoi = {10.1002/mas.20307},\n\tabstract = {Analysis of pesticides and their metabolites in food and water matrices continues to be an active research area closely related to food safety and environmental issues. This review discusses the most widely applied mass spectrometric (MS) approaches to pesticide residues analysis over the last few years. The main techniques for sample preparation remain solvent extraction and solid-phase extraction. The QuEChERS (Quick, Easy, Cheap, Effective, Rugged, Safe) approach is being increasingly used for the development of multi-class pesticide residues methods in various sample matrices. MS detectors—triple quadrupole (QqQ), ion-trap (IT), quadrupole linear ion trap (QqLIT), time-of-flight (TOF), and quadrupole time-of-flight (QqTOF)—have been established as powerful analytical tools sharing a primary role in the detection/quantification and/or identification/confirmation of pesticides and their metabolites. Recent developments in analytical instrumentation have enabled coupling of ultra-performance liquid chromatography (UPLC) and fast gas chromatography (GC) with MS detectors, and faster analysis for a greater number of pesticides. The newly developed “ambient-ionization” MS techniques (e.g., desorption electrospray ionization, DESI, and direct analysis in real time, DART) hyphenated with high-resolution MS platforms without liquid chromatography separation, and sometimes with minimum pre-treatment, have shown potential for pesticide residue screening. The recently introduced Orbitrap mass spectrometers can provide high resolving power and mass accuracy, to tackle complex analytical problems involved in pesticide residue analysis. © 2010 Wiley Periodicals, Inc., Mass Spec Rev 30:907–939, 2011},\n\tnumber = {5},\n\tjournal = {Mass Spectrometry Reviews},\n\tauthor = {Botitsi, Helen V. and Garbis, Spiros D. and Economou, Anastasios and Tsipi, Despina F.},\n\tyear = {2011},\n\tkeywords = {food and water, liquid and gas chromatography, mass spectrometry, pesticides},\n\tpages = {907--939},\n}\n\n\n\n
\n
\n\n\n
\n Analysis of pesticides and their metabolites in food and water matrices continues to be an active research area closely related to food safety and environmental issues. This review discusses the most widely applied mass spectrometric (MS) approaches to pesticide residues analysis over the last few years. The main techniques for sample preparation remain solvent extraction and solid-phase extraction. The QuEChERS (Quick, Easy, Cheap, Effective, Rugged, Safe) approach is being increasingly used for the development of multi-class pesticide residues methods in various sample matrices. MS detectors—triple quadrupole (QqQ), ion-trap (IT), quadrupole linear ion trap (QqLIT), time-of-flight (TOF), and quadrupole time-of-flight (QqTOF)—have been established as powerful analytical tools sharing a primary role in the detection/quantification and/or identification/confirmation of pesticides and their metabolites. Recent developments in analytical instrumentation have enabled coupling of ultra-performance liquid chromatography (UPLC) and fast gas chromatography (GC) with MS detectors, and faster analysis for a greater number of pesticides. The newly developed “ambient-ionization” MS techniques (e.g., desorption electrospray ionization, DESI, and direct analysis in real time, DART) hyphenated with high-resolution MS platforms without liquid chromatography separation, and sometimes with minimum pre-treatment, have shown potential for pesticide residue screening. The recently introduced Orbitrap mass spectrometers can provide high resolving power and mass accuracy, to tackle complex analytical problems involved in pesticide residue analysis. © 2010 Wiley Periodicals, Inc., Mass Spec Rev 30:907–939, 2011\n
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\n \n\n \n \n \n \n \n \n Authentication of Animal Fats Using Direct Analysis in Real Time (DART) Ionization−Mass Spectrometry and Chemometric Tools.\n \n \n \n \n\n\n \n Vaclavik, L.; Hrbek, V.; Cajka, T.; Rohlik, B.; Pipek, P.; and Hajslova, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(11): 5919–5926. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AuthenticationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{vaclavik_authentication_2011,\n\ttitle = {Authentication of {Animal} {Fats} {Using} {Direct} {Analysis} in {Real} {Time} ({DART}) {Ionization}−{Mass} {Spectrometry} and {Chemometric} {Tools}},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf200734x},\n\tdoi = {10.1021/jf200734x},\n\tabstract = {A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10\\% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10\\% pork added to beef and vice versa was possible.\nA combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10\\% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10\\% pork added to beef and vice versa was possible.},\n\tnumber = {11},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Vaclavik, Lukas and Hrbek, Vojtech and Cajka, Tomas and Rohlik, Bo-Anne and Pipek, Petr and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {animal fat; meat; adulteration; direct analysis in real time; mass spectrometry; multivariate analysis; AccuTOF},\n\tpages = {5919--5926},\n}\n\n\n\n
\n
\n\n\n
\n A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10% pork added to beef and vice versa was possible. A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10% pork added to beef and vice versa was possible.\n
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\n \n\n \n \n \n \n \n \n Versatile Method for the Detection of Covalently Bound Substrates on Solid Supports by DART Mass Spectrometry.\n \n \n \n \n\n\n \n Sanchez, L. M.; Curtis, M. E.; Bracamonte, B. E.; Kurita, K. L.; Navarro, G.; Sparkman, O. D.; and Linington, R. G.\n\n\n \n\n\n\n Organic Letters, 13(15): 3770–3773. June 2011.\n \n\n\n\n
\n\n\n\n \n \n \"VersatilePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sanchez_versatile_2011,\n\ttitle = {Versatile {Method} for the {Detection} of {Covalently} {Bound} {Substrates} on {Solid} {Supports} by {DART} {Mass} {Spectrometry}},\n\tvolume = {13},\n\tissn = {1523-7060},\n\turl = {http://dx.doi.org/10.1021/ol201404v},\n\tdoi = {10.1021/ol201404v},\n\tabstract = {Analysis of substrates directly on solid phase resins without the need for separate cleavage conditions remains an outstanding challenge in the field of solid phase synthesis. We now present the first example of simultaneous cleavage and mass spectrometric analysis of peptides from solid supports using direct analysis in real time (DART) mass spectrometry. We have shown that this method is compatible with a diverse array of solid phase resins and is suitable for analysis of both peptides and organic substrates.},\n\tnumber = {15},\n\turldate = {2013-06-05},\n\tjournal = {Organic Letters},\n\tauthor = {Sanchez, Laura M. and Curtis, Matthew E. and Bracamonte, Bianca E. and Kurita, Kenji L. and Navarro, Gabriel and Sparkman, O. David and Linington, Roger G.},\n\tmonth = jun,\n\tyear = {2011},\n\tpages = {3770--3773},\n}\n\n\n\n
\n
\n\n\n
\n Analysis of substrates directly on solid phase resins without the need for separate cleavage conditions remains an outstanding challenge in the field of solid phase synthesis. We now present the first example of simultaneous cleavage and mass spectrometric analysis of peptides from solid supports using direct analysis in real time (DART) mass spectrometry. We have shown that this method is compatible with a diverse array of solid phase resins and is suitable for analysis of both peptides and organic substrates.\n
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\n \n\n \n \n \n \n \n \n Validation of Thin Layer Chromatography with AccuTOF-DART™ Detection for Forensic Drug Analysis*.\n \n \n \n \n\n\n \n Howlett, S. E.; and Steiner, R. R.\n\n\n \n\n\n\n Journal of Forensic Sciences, 56(5): 1261–1267. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{howlett_validation_2011,\n\ttitle = {Validation of {Thin} {Layer} {Chromatography} with {AccuTOF}-{DART}™ {Detection} for {Forensic} {Drug} {Analysis}*},\n\tvolume = {56},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2011.01881.x},\n\tdoi = {10.1111/j.1556-4029.2011.01881.x},\n\tabstract = {Abstract:  Thin layer chromatography (TLC) is a technique that is commonly employed in the forensic drug analysis of pharmaceutical preparations. Detection is typically accomplished using various visualization spray reagents. Conventional gas chromatography–mass spectrometry (GC-MS) analysis is typically performed to confirm the TLC results. Depending on the drugs tested and the instrument conditions required, this confirmation can take up to an hour to complete. Direct analysis in real time (DART™) is an ionization source, coupled to an accurate-mass time-of-flight mass spectrometer that has the capability to ionize materials under ambient conditions. To streamline analysis, the combination of TLC with DART™ detection is proposed to screen and subsequently identify drug compounds, all from the same TLC plate. DART™ confirmations of TLC analyses take {\\textless}10 min to complete and compare favorably to GC-MS in sensitivity and selectivity. This study validates the use of TLC-DART in the forensic identification of the components of several pharmaceutical preparations.},\n\tnumber = {5},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Howlett, Susanne E. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time, controlled substances, forensic science, forensic science; controlled substances; thin layer chromatography; direct analysis in real time; mass spectrometry; time of flight; AccuTOF, mass spectrometry, thin layer chromatography, time of flight},\n\tpages = {1261--1267},\n}\n\n\n\n
\n
\n\n\n
\n Abstract:  Thin layer chromatography (TLC) is a technique that is commonly employed in the forensic drug analysis of pharmaceutical preparations. Detection is typically accomplished using various visualization spray reagents. Conventional gas chromatography–mass spectrometry (GC-MS) analysis is typically performed to confirm the TLC results. Depending on the drugs tested and the instrument conditions required, this confirmation can take up to an hour to complete. Direct analysis in real time (DART™) is an ionization source, coupled to an accurate-mass time-of-flight mass spectrometer that has the capability to ionize materials under ambient conditions. To streamline analysis, the combination of TLC with DART™ detection is proposed to screen and subsequently identify drug compounds, all from the same TLC plate. DART™ confirmations of TLC analyses take \\textless10 min to complete and compare favorably to GC-MS in sensitivity and selectivity. This study validates the use of TLC-DART in the forensic identification of the components of several pharmaceutical preparations.\n
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\n \n\n \n \n \n \n \n \n Purification of pharmaceutical preparations using thin-layer chromatography to obtain mass spectra with Direct Analysis in Real Time and accurate mass spectrometry.\n \n \n \n \n\n\n \n Wood, J. L.; and Steiner, R. R.\n\n\n \n\n\n\n Drug Testing and Analysis, 3(6): 345–351. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PurificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{wood_purification_2011,\n\ttitle = {Purification of pharmaceutical preparations using thin-layer chromatography to obtain mass spectra with {Direct} {Analysis} in {Real} {Time} and accurate mass spectrometry},\n\tvolume = {3},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.293},\n\tdoi = {10.1002/dta.293},\n\tabstract = {Forensic analysis of pharmaceutical preparations requires a comparative analysis with a standard of the suspected drug in order to identify the active ingredient. Purchasing analytical standards can be expensive or unattainable from the drug manufacturers. Direct Analysis in Real Time (DART™) is a novel, ambient ionization technique, typically coupled with a JEOL AccuTOF™ (accurate mass) mass spectrometer. While a fast and easy technique to perform, a drawback of using DART™ is the lack of component separation of mixtures prior to ionization. Various in-house pharmaceutical preparations were purified using thin-layer chromatography (TLC) and mass spectra were subsequently obtained using the AccuTOF™- DART™ technique. Utilizing TLC prior to sample introduction provides a simple, low-cost solution to acquiring mass spectra of the purified preparation. Each spectrum was compared against an in-house molecular formula list to confirm the accurate mass elemental compositions. Spectra of purified ingredients of known pharmaceuticals were added to an in-house library for use as comparators for casework samples. Resolving isomers from one another can be accomplished using collision-induced dissociation after ionization. Challenges arose when the pharmaceutical preparation required an optimized TLC solvent to achieve proper separation and purity of the standard. Purified spectra were obtained for 91 preparations and included in an in-house drug standard library. Primary standards would only need to be purchased when pharmaceutical preparations not previously encountered are submitted for comparative analysis. TLC prior to DART™ analysis demonstrates a time efficient and cost saving technique for the forensic drug analysis community. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {6},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Wood, Jessica L. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Direct analysis in real time, forensic science, pharmaceutical preparations, thin-layer chromatography, time of flight},\n\tpages = {345--351},\n}\n\n\n\n
\n
\n\n\n
\n Forensic analysis of pharmaceutical preparations requires a comparative analysis with a standard of the suspected drug in order to identify the active ingredient. Purchasing analytical standards can be expensive or unattainable from the drug manufacturers. Direct Analysis in Real Time (DART™) is a novel, ambient ionization technique, typically coupled with a JEOL AccuTOF™ (accurate mass) mass spectrometer. While a fast and easy technique to perform, a drawback of using DART™ is the lack of component separation of mixtures prior to ionization. Various in-house pharmaceutical preparations were purified using thin-layer chromatography (TLC) and mass spectra were subsequently obtained using the AccuTOF™- DART™ technique. Utilizing TLC prior to sample introduction provides a simple, low-cost solution to acquiring mass spectra of the purified preparation. Each spectrum was compared against an in-house molecular formula list to confirm the accurate mass elemental compositions. Spectra of purified ingredients of known pharmaceuticals were added to an in-house library for use as comparators for casework samples. Resolving isomers from one another can be accomplished using collision-induced dissociation after ionization. Challenges arose when the pharmaceutical preparation required an optimized TLC solvent to achieve proper separation and purity of the standard. Purified spectra were obtained for 91 preparations and included in an in-house drug standard library. Primary standards would only need to be purchased when pharmaceutical preparations not previously encountered are submitted for comparative analysis. TLC prior to DART™ analysis demonstrates a time efficient and cost saving technique for the forensic drug analysis community. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Clafication of the composition of [M+18] ions in DART mass spectra of polyethylene glycol using high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E.; Ovcharov, M.; Zatonskii, G.; Abramovich, R.; and Revelskii, I.\n\n\n \n\n\n\n Journal of Analytical Chemistry, 66(13): 1348–1351. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ClaficationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_clafication_2011,\n\ttitle = {Clafication of the composition of [{M}+18] ions in {DART} mass spectra of polyethylene glycol using high-resolution mass spectrometry},\n\tvolume = {66},\n\tissn = {1061-9348},\n\turl = {http://dx.doi.org/10.1134/S1061934811130016},\n\tabstract = {10.1134/S1061934811130016},\n\tnumber = {13},\n\tjournal = {Journal of Analytical Chemistry},\n\tauthor = {Chernetsova, E. and Ovcharov, M. and Zatonskii, G. and Abramovich, R. and Revelskii, I.},\n\tyear = {2011},\n\tpages = {1348--1351},\n}\n\n\n\n
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\n 10.1134/S1061934811130016\n
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\n \n\n \n \n \n \n \n Increasing the rate of sample vaporization in an open air desorption ionization source by using a heated metal screen as a sample holder.\n \n \n \n\n\n \n Krechmer, J.; Tice, J.; Crawford, E.; and Musselman, B.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(17): 2384–2388. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{krechmer_increasing_2011,\n\ttitle = {Increasing the rate of sample vaporization in an open air desorption ionization source by using a heated metal screen as a sample holder},\n\tvolume = {25},\n\tdoi = {10.1002/rcm.5133},\n\tabstract = {Rapid vaporization of sample into the ionizing gas exiting a direct analysis in real time (DARTW) source has been enabled by directing a high electrical current through a metal wire screen to which sample has been applied. This direct heating of the screen enables rapid vaporization of sample as the wire temperature rises from room temperature to greater than 400C in less than 20s. Positioning the screen between the DARTsource and atmospheric pressure inlet of the mass spectrometer ensures that the ionizing gas is in close proximity to the sample molecules, resulting in efficient ionization while significantly reducing the time required for mass spectrometric analysis. The capability to modulate the electrical current flow through the wires facilitates either rapid desorption for the determination of single component samples or slower desorption where analysis of mixtures might be desired. The technology also enables deployment of strategies for the determination of chemicals present as powders that might otherwise require dissolution prior to analysis. Results from the use of this thermally assisted DART (‘TA-DART’) system for the analysis of pure compounds, simple mixtures, solids and low vapor pressure samples are presented.},\n\tnumber = {17},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Krechmer, Jordan and Tice, Joseph and Crawford, Elizabeth and Musselman, Brian},\n\tyear = {2011},\n\tkeywords = {Agilent Quad},\n\tpages = {2384--2388},\n}\n\n\n\n
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\n\n\n
\n Rapid vaporization of sample into the ionizing gas exiting a direct analysis in real time (DARTW) source has been enabled by directing a high electrical current through a metal wire screen to which sample has been applied. This direct heating of the screen enables rapid vaporization of sample as the wire temperature rises from room temperature to greater than 400C in less than 20s. Positioning the screen between the DARTsource and atmospheric pressure inlet of the mass spectrometer ensures that the ionizing gas is in close proximity to the sample molecules, resulting in efficient ionization while significantly reducing the time required for mass spectrometric analysis. The capability to modulate the electrical current flow through the wires facilitates either rapid desorption for the determination of single component samples or slower desorption where analysis of mixtures might be desired. The technology also enables deployment of strategies for the determination of chemicals present as powders that might otherwise require dissolution prior to analysis. Results from the use of this thermally assisted DART (‘TA-DART’) system for the analysis of pure compounds, simple mixtures, solids and low vapor pressure samples are presented.\n
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\n \n\n \n \n \n \n \n \n Allium Discoloration: The Precursor and Formation of the Red Pigment in Giant Onion (Allium giganteum Regel) and Some Other Subgenus Melanocrommyum Species.\n \n \n \n \n\n\n \n Kučerová, P.; Kubec, R.; Šimek, P.; Václavík, L.; and Schraml, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(5): 1821–1828. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AlliumPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kucerova_allium_2011,\n\ttitle = {Allium {Discoloration}: {The} {Precursor} and {Formation} of the {Red} {Pigment} in {Giant} {Onion} ({Allium} giganteum {Regel}) and {Some} {Other} {Subgenus} {Melanocrommyum} {Species}},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf104195k},\n\tdoi = {10.1021/jf104195k},\n\tabstract = {The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).\nThe precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).},\n\tnumber = {5},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Kučerová, Petra and Kubec, Roman and Šimek, Petr and Václavík, Lukáš and Schraml, Jan},\n\tyear = {2011},\n\tkeywords = {S-(2-pyrrolyl)cysteine S-oxide; S-(3-pyrrolyl)cysteine S-oxide; giant onion; Allium giganteum; Melanocrommyum; discoloration; thiosulfinate; pigment; LC−NMR; DART-MS; sulfenic acid; non-protein amino acid; AccuTOF},\n\tpages = {1821--1828},\n}\n\n\n\n
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\n The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa). The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).\n
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\n \n\n \n \n \n \n \n \n Determination of drugs and drug-like compounds in different samples with direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n Mass Spectrometry Reviews, 30(5): 875–883. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{chernetsova_determination_2011,\n\ttitle = {Determination of drugs and drug-like compounds in different samples with direct analysis in real time mass spectrometry},\n\tvolume = {30},\n\tissn = {1098-2787},\n\turl = {http://dx.doi.org/10.1002/mas.20304},\n\tdoi = {10.1002/mas.20304},\n\tabstract = {Direct analysis in real time (DART), a relatively new ionization source for mass spectrometry, ionizes small-molecule components from different kinds of samples without any sample preparation and chromatographic separation. The current paper reviews the published data available on the determination of drugs and drug-like compounds in different matrices with DART-MS, including identification and quantitation issues. Parameters that affect ionization efficiency and mass spectra composition are also discussed. © 2011 Wiley Periodicals, Inc., Mass Spec Rev 30:875–883, 2011},\n\tnumber = {5},\n\tjournal = {Mass Spectrometry Reviews},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tyear = {2011},\n\tkeywords = {Ambient mass spectrometry, DART, Direct analysis in real time, drugs, identification, quantitation, review; direct analysis in real time; DART; drugs; identification; quantitation; ambient mass spectrometry},\n\tpages = {875--883},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART), a relatively new ionization source for mass spectrometry, ionizes small-molecule components from different kinds of samples without any sample preparation and chromatographic separation. The current paper reviews the published data available on the determination of drugs and drug-like compounds in different matrices with DART-MS, including identification and quantitation issues. Parameters that affect ionization efficiency and mass spectra composition are also discussed. © 2011 Wiley Periodicals, Inc., Mass Spec Rev 30:875–883, 2011\n
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\n \n\n \n \n \n \n \n \n New approach to detecting counterfeit drugs in tablets by DART mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E.; Bochkov, P.; Zatonskii, G.; and Abramovich, R.\n\n\n \n\n\n\n Pharmaceutical Chemistry Journal, 45(5): 306–308. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"NewPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_new_2011,\n\ttitle = {New approach to detecting counterfeit drugs in tablets by {DART} mass spectrometry},\n\tvolume = {45},\n\tissn = {0091-150X},\n\turl = {http://dx.doi.org/10.1007/s11094-011-0622-y},\n\tabstract = {The possibility of using DART mass spectrometry for the identification of active ingredients in tableted drugs has been studied. Analytical results for some drugs such as glycin, nootropyl, anaprilin, mexidol, and biseptol are presented. The benefits and limitations of DART mass spectrometry as applied to fast screening of tableted pharmaceuticals for detecting counterfeits are discussed.},\n\tnumber = {5},\n\tjournal = {Pharmaceutical Chemistry Journal},\n\tauthor = {Chernetsova, E. and Bochkov, P. and Zatonskii, G. and Abramovich, R.},\n\tyear = {2011},\n\tpages = {306--308},\n}\n\n\n\n
\n
\n\n\n
\n The possibility of using DART mass spectrometry for the identification of active ingredients in tableted drugs has been studied. Analytical results for some drugs such as glycin, nootropyl, anaprilin, mexidol, and biseptol are presented. The benefits and limitations of DART mass spectrometry as applied to fast screening of tableted pharmaceuticals for detecting counterfeits are discussed.\n
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\n \n\n \n \n \n \n \n \n Surface swabbing technique for the rapid screening for pesticides using ambient pressure desorption ionization with high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Edison, S. E.; Lin, L. A.; Gamble, B. M.; Wong, J.; and Zhang, K.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(1): 127–139. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SurfacePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{edison_surface_2011,\n\ttitle = {Surface swabbing technique for the rapid screening for pesticides using ambient pressure desorption ionization with high-resolution mass spectrometry},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4831},\n\tdoi = {10.1002/rcm.4831},\n\tabstract = {A rapid screening method for pesticides has been developed to promote more efficient processing of produce entering the United States. Foam swabs were used to recover a multiclass mixture of 132 pesticides from the surfaces of grapes, apples, and oranges. The swabs were analyzed using direct analysis in real time (DART) ionization coupled with a high-resolution Exactive Orbitrap™ mass spectrometer. By using a DART helium temperature gradient from 100–350°C over 3 min, a minimal separation of analytes based on volatility differences was achieved. This, combined with the Exactive's mass resolution of 100 000, allowed the chromatographic step, along with the typical compositing and extraction steps associated with gas chromatography/mass spectrometry (GC/MS) or liquid chromatography/mass spectrometry (LC/MS) approaches, to be eliminated. Detection of 86\\% of the analytes present was consistently achieved at levels of 2 ng/g (per each apple or orange) and 10 ng/g (per grape). A resolution study was conducted with four pairs of isobaric compounds analyzed at a mass resolution of 100 000. Baseline separation was achieved with analyte ions differing in mass by 25 ppm and analyte ions with a mass difference of 10 ppm were partially resolved. In addition, field samples that had undergone traditional sample preparation using QuEChERS (quick, easy, cheap, rugged, and safe) were analyzed using both LC/MS and DART-MS and the results from the two techniques were found to be comparable in terms of identification of the pesticides present. The use of swabs greatly increased sample throughput by reducing sample preparation and analysis time. Published in 2010 by John Wiley \\& Sons, Ltd.},\n\tnumber = {1},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Edison, Sara. E. and Lin, Lora A. and Gamble, Bryan M. and Wong, Jon and Zhang, Kai},\n\tyear = {2011},\n\tkeywords = {Orbitrap},\n\tpages = {127--139},\n}\n\n\n\n
\n
\n\n\n
\n A rapid screening method for pesticides has been developed to promote more efficient processing of produce entering the United States. Foam swabs were used to recover a multiclass mixture of 132 pesticides from the surfaces of grapes, apples, and oranges. The swabs were analyzed using direct analysis in real time (DART) ionization coupled with a high-resolution Exactive Orbitrap™ mass spectrometer. By using a DART helium temperature gradient from 100–350°C over 3 min, a minimal separation of analytes based on volatility differences was achieved. This, combined with the Exactive's mass resolution of 100 000, allowed the chromatographic step, along with the typical compositing and extraction steps associated with gas chromatography/mass spectrometry (GC/MS) or liquid chromatography/mass spectrometry (LC/MS) approaches, to be eliminated. Detection of 86% of the analytes present was consistently achieved at levels of 2 ng/g (per each apple or orange) and 10 ng/g (per grape). A resolution study was conducted with four pairs of isobaric compounds analyzed at a mass resolution of 100 000. Baseline separation was achieved with analyte ions differing in mass by 25 ppm and analyte ions with a mass difference of 10 ppm were partially resolved. In addition, field samples that had undergone traditional sample preparation using QuEChERS (quick, easy, cheap, rugged, and safe) were analyzed using both LC/MS and DART-MS and the results from the two techniques were found to be comparable in terms of identification of the pesticides present. The use of swabs greatly increased sample throughput by reducing sample preparation and analysis time. Published in 2010 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Principal component directed partial least squares analysis for combining nuclear magnetic resonance and mass spectrometry data in metabolomics: Application to the detection of breast cancer.\n \n \n \n \n\n\n \n Gu, H.; Pan, Z.; Xi, B.; Asiago, V.; Musselman, B.; and Raftery, D.\n\n\n \n\n\n\n Analytica Chimica Acta, 686(1–2): 57–63. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PrincipalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{gu_principal_2011,\n\ttitle = {Principal component directed partial least squares analysis for combining nuclear magnetic resonance and mass spectrometry data in metabolomics: {Application} to the detection of breast cancer},\n\tvolume = {686},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267010014558},\n\tdoi = {10.1016/j.aca.2010.11.040},\n\tabstract = {Nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) are the two most commonly used analytical tools in metabolomics, and their complementary nature makes the combination particularly attractive. A combined analytical approach can improve the potential for providing reliable methods to detect metabolic profile alterations in biofluids or tissues caused by disease, toxicity, etc. In this paper, 1H NMR spectroscopy and direct analysis in real time (DART)-MS were used for the metabolomics analysis of serum samples from breast cancer patients and healthy controls. Principal component analysis (PCA) of the NMR data showed that the first principal component (PC1) scores could be used to separate cancer from normal samples. However, no such obvious clustering could be observed in the PCA score plot of DART-MS data, even though DART-MS can provide a rich and informative metabolic profile. Using a modified multivariate statistical approach, the DART-MS data were then reevaluated by orthogonal signal correction (OSC) pretreated partial least squares (PLS), in which the Y matrix in the regression was set to the PC1 score values from the NMR data analysis. This approach, and a similar one using the first latent variable from PLS-DA of the NMR data resulted in a significant improvement of the separation between the disease samples and normals, and a metabolic profile related to breast cancer could be extracted from DART-MS. The new approach allows the disease classification to be expressed on a continuum as opposed to a binary scale and thus better represents the disease and healthy classifications. An improved metabolic profile obtained by combining MS and NMR by this approach may be useful to achieve more accurate disease detection and gain more insight regarding disease mechanisms and biology.},\n\tnumber = {1–2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Gu, Haiwei and Pan, Zhengzheng and Xi, Bowei and Asiago, Vincent and Musselman, Brian and Raftery, Daniel},\n\tyear = {2011},\n\tkeywords = {Breast cancer, Direct analysis in real time, Human serum, Nuclear magnetic resonance, Orthogonal signal correction, Partial least squares, mass spectrometry, metabolomics},\n\tpages = {57--63},\n}\n\n\n\n
\n
\n\n\n
\n Nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) are the two most commonly used analytical tools in metabolomics, and their complementary nature makes the combination particularly attractive. A combined analytical approach can improve the potential for providing reliable methods to detect metabolic profile alterations in biofluids or tissues caused by disease, toxicity, etc. In this paper, 1H NMR spectroscopy and direct analysis in real time (DART)-MS were used for the metabolomics analysis of serum samples from breast cancer patients and healthy controls. Principal component analysis (PCA) of the NMR data showed that the first principal component (PC1) scores could be used to separate cancer from normal samples. However, no such obvious clustering could be observed in the PCA score plot of DART-MS data, even though DART-MS can provide a rich and informative metabolic profile. Using a modified multivariate statistical approach, the DART-MS data were then reevaluated by orthogonal signal correction (OSC) pretreated partial least squares (PLS), in which the Y matrix in the regression was set to the PC1 score values from the NMR data analysis. This approach, and a similar one using the first latent variable from PLS-DA of the NMR data resulted in a significant improvement of the separation between the disease samples and normals, and a metabolic profile related to breast cancer could be extracted from DART-MS. The new approach allows the disease classification to be expressed on a continuum as opposed to a binary scale and thus better represents the disease and healthy classifications. An improved metabolic profile obtained by combining MS and NMR by this approach may be useful to achieve more accurate disease detection and gain more insight regarding disease mechanisms and biology.\n
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\n \n\n \n \n \n \n \n \n Development and validation of AccuTOF-DART™ as a screening method for analysis of bank security device and pepper spray components.\n \n \n \n \n\n\n \n Pfaff, A. M.; and Steiner, R. R.\n\n\n \n\n\n\n Forensic Science International, 206(1–3): 62–70. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DevelopmentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{pfaff_development_2011,\n\ttitle = {Development and validation of {AccuTOF}-{DART}™ as a screening method for analysis of bank security device and pepper spray components},\n\tvolume = {206},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073810003154},\n\tdoi = {10.1016/j.forsciint.2010.06.018},\n\tabstract = {Analysis of bank security devices, containing 1-methylaminoanthraquinone (MAAQ) and o-chlorobenzylidenemalononitrile (CS), and pepper sprays, containing capsaicin, is a lengthy process with no specific screening technique to aid in identifying samples of interest. Direct Analysis in Real Time (DART™) ionization coupled with an Accurate Time of Flight (AccuTOF) mass detector is a fast, ambient ionization source that could significantly reduce time spent on these cases and increase the specificity of the screening process. A new method for screening clothing for bank dye and pepper spray, using AccuTOF-DART™ analysis, has been developed. Detection of MAAQ, CS, and capsaicin was achieved via extraction of each compound onto cardstock paper, which was then sampled in the AccuTOF-DART™. All results were verified using gas chromatography coupled with electron impact mass spectrometry.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Pfaff, Allison M. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {Bank dye, Direct analysis in real time, Forensic science; Bank dye; Pepper spray; Direct Analysis in Real Time; Mass spectrometry; Time of flight; AccuTOF, Pepper spray, forensic science, mass spectrometry, time of flight},\n\tpages = {62--70},\n}\n\n\n\n
\n
\n\n\n
\n Analysis of bank security devices, containing 1-methylaminoanthraquinone (MAAQ) and o-chlorobenzylidenemalononitrile (CS), and pepper sprays, containing capsaicin, is a lengthy process with no specific screening technique to aid in identifying samples of interest. Direct Analysis in Real Time (DART™) ionization coupled with an Accurate Time of Flight (AccuTOF) mass detector is a fast, ambient ionization source that could significantly reduce time spent on these cases and increase the specificity of the screening process. A new method for screening clothing for bank dye and pepper spray, using AccuTOF-DART™ analysis, has been developed. Detection of MAAQ, CS, and capsaicin was achieved via extraction of each compound onto cardstock paper, which was then sampled in the AccuTOF-DART™. All results were verified using gas chromatography coupled with electron impact mass spectrometry.\n
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\n \n\n \n \n \n \n \n In-situ and Rapid Identification of Tea by Diect Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Zhang, J.; Zhang, W.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Chinese Journal of Chromatography, 29(7): 681–686. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhang_-situ_2011,\n\ttitle = {In-situ and {Rapid} {Identification} of {Tea} by {Diect} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {29},\n\tabstract = {By applying an ambient mass spectrometric method-direct analysis in real time mass spectrometry (DART MS), a method was developed for rapid identification of the principal constituents in different kinds of tea. The identification of different kinds of tea was also achieved by characteristic mass spectrometric signals. Under atmospheric pressure, DART MS method does not require any sample preparation, greatly reduces the analysis time, realizes the in situ, rapid, accurate, and high-throughput analysis.},\n\tnumber = {7},\n\tjournal = {Chinese Journal of Chromatography},\n\tauthor = {Zhang, J. and Zhang, W. and Zhou, Z. and Bai, Y. and Liu, H.},\n\tyear = {2011},\n\tkeywords = {ion trap; XCT},\n\tpages = {681--686},\n}\n\n\n\n
\n
\n\n\n
\n By applying an ambient mass spectrometric method-direct analysis in real time mass spectrometry (DART MS), a method was developed for rapid identification of the principal constituents in different kinds of tea. The identification of different kinds of tea was also achieved by characteristic mass spectrometric signals. Under atmospheric pressure, DART MS method does not require any sample preparation, greatly reduces the analysis time, realizes the in situ, rapid, accurate, and high-throughput analysis.\n
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\n \n\n \n \n \n \n \n Simple and Rapid Screening for Methamphetamine and 3,4-Methylene- dioxymethamphetamine (MDMA) and Their Metabolites in Urine Using Direct Analysis in Real Time (DART)-TOFMS.\n \n \n \n\n\n \n Kawamura, M.; Kikura-Hanajiri, R.; and Goda, Y.\n\n\n \n\n\n\n Yakugaku Zasshi, 131(5): 827–833. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{kawamura_simple_2011,\n\ttitle = {Simple and {Rapid} {Screening} for {Methamphetamine} and 3,4-{Methylene}- dioxymethamphetamine ({MDMA}) and {Their} {Metabolites} in {Urine} {Using} {Direct} {Analysis} in {Real} {Time} ({DART})-{TOFMS}},\n\tvolume = {131},\n\tdoi = {10.1248/yakushi.131.827},\n\tabstract = {An ionization technique, direct analysis in real time (DART) has recently been developed for the ambient ionization of a variety samples. The DART coupled with time-of-flight mass spectrometry (TOFMS) would be useful as a simple and rapid screening for the targeted compounds in various samples, because it provides the molecular information of these compounds without time-consuming extraction. In this study, we investigated rapid screening methods of illicit drugs and their metabolites, such as methamphetamine (MA), 3,4-methylenedioxymethamphetamine (MDMA), amphetamine (AP) and 3,4-methylenedioxyamphetamine (MDA) in human urine using DART-TOFMS. As serious matrix effects caused by urea in urine samples and ionizations of the targeted compounds were greatly suppressed in the DART-TOFMS analyses, simple pretreatment methods to remove the urea from the samples were investigated. When a pipette tip-type solid-phase extraction with a dichloromethane and isopropanol mixed solution as an eluent was used for the pretreatment, the limits of detection (LODs) of 4 compounds added to control urine samples were 0.25 μg/ml. On the other hand, the LODs of these compounds were 0.5 μg/ml by a liquid-liquid extraction using a dichloromethane and hexane mixed solution. In both extractions, the recoveries of 4 compounds from urine samples were over 70\\% and these extraction methods showed good linearity in the range of 0.5-5 μg/ml by GC-MS analyses. In conclusion, our proposed method using DART-TOFMS could simultaneously detect MA, MDMA and their metabolites in urine at 0.5 μg/ml without time-consuming pretreatment steps. Therefore it would be useful for screening drugs in urine with the molecular information.},\n\tnumber = {5},\n\tjournal = {Yakugaku Zasshi},\n\tauthor = {Kawamura, M. and Kikura-Hanajiri, R. and Goda, Y.},\n\tyear = {2011},\n\tkeywords = {direct analysis in real time; methamphetamine; 3,4-methylenedioxymethamphetamine; urine; time-of-flight mass spectrometry; AccuTOF},\n\tpages = {827--833},\n}\n\n\n\n
\n
\n\n\n
\n An ionization technique, direct analysis in real time (DART) has recently been developed for the ambient ionization of a variety samples. The DART coupled with time-of-flight mass spectrometry (TOFMS) would be useful as a simple and rapid screening for the targeted compounds in various samples, because it provides the molecular information of these compounds without time-consuming extraction. In this study, we investigated rapid screening methods of illicit drugs and their metabolites, such as methamphetamine (MA), 3,4-methylenedioxymethamphetamine (MDMA), amphetamine (AP) and 3,4-methylenedioxyamphetamine (MDA) in human urine using DART-TOFMS. As serious matrix effects caused by urea in urine samples and ionizations of the targeted compounds were greatly suppressed in the DART-TOFMS analyses, simple pretreatment methods to remove the urea from the samples were investigated. When a pipette tip-type solid-phase extraction with a dichloromethane and isopropanol mixed solution as an eluent was used for the pretreatment, the limits of detection (LODs) of 4 compounds added to control urine samples were 0.25 μg/ml. On the other hand, the LODs of these compounds were 0.5 μg/ml by a liquid-liquid extraction using a dichloromethane and hexane mixed solution. In both extractions, the recoveries of 4 compounds from urine samples were over 70% and these extraction methods showed good linearity in the range of 0.5-5 μg/ml by GC-MS analyses. In conclusion, our proposed method using DART-TOFMS could simultaneously detect MA, MDMA and their metabolites in urine at 0.5 μg/ml without time-consuming pretreatment steps. Therefore it would be useful for screening drugs in urine with the molecular information.\n
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\n \n\n \n \n \n \n \n \n Evaluation of direct analysis in real time mass spectrometry for onsite monitoring of batch slurry reactions.\n \n \n \n \n\n\n \n Cho, D. S.; Gibson, S. C.; Bhandari, D.; McNally, M. E.; Hoffman, R. M.; Cook, K. D.; and Song, L.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(23): 3575–3580. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cho_evaluation_2011,\n\ttitle = {Evaluation of direct analysis in real time mass spectrometry for onsite monitoring of batch slurry reactions},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5269},\n\tdoi = {10.1002/rcm.5269},\n\tabstract = {Batch slurry reactions are widely used in the industrial manufacturing of chemicals, pharmaceuticals, petrochemicals and polymers. However, onsite monitoring of batch slurry reactions is still not feasible in production plants due to the challenge in analyzing heterogeneous samples without complicated sample preparation procedures. In this study, direct analysis in real time mass spectrometry (DART-MS) has been evaluated for the onsite monitoring of a model batch slurry reaction. The results suggested that automation of the sampling process of DART-MS is important to achieve quantitative results. With a sampling technique of manual sample deposition on melting point capillaries followed by automatic sample introduction across the helium beam, relative standard deviation (RSD) of the protonated molecule signals from the reaction product of the model batch slurry reaction ranged from 6 to 30\\%. This RSD range is improved greatly over a sampling technique of manual sample deposition followed by manual sample introduction where the RSDs are up to 110\\%. Furthermore, with the semi-automated sampling approach, semi-quantitative analysis of slurry samples has been achieved. Better quantification is expected with a fully automated sampling approach. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {23},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Cho, David S. and Gibson, Stephen C. and Bhandari, Deepak and McNally, Mary Ellen and Hoffman, Ron M. and Cook, Kelsey D. and Song, Liguo},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {3575--3580},\n}\n\n\n\n
\n
\n\n\n
\n Batch slurry reactions are widely used in the industrial manufacturing of chemicals, pharmaceuticals, petrochemicals and polymers. However, onsite monitoring of batch slurry reactions is still not feasible in production plants due to the challenge in analyzing heterogeneous samples without complicated sample preparation procedures. In this study, direct analysis in real time mass spectrometry (DART-MS) has been evaluated for the onsite monitoring of a model batch slurry reaction. The results suggested that automation of the sampling process of DART-MS is important to achieve quantitative results. With a sampling technique of manual sample deposition on melting point capillaries followed by automatic sample introduction across the helium beam, relative standard deviation (RSD) of the protonated molecule signals from the reaction product of the model batch slurry reaction ranged from 6 to 30%. This RSD range is improved greatly over a sampling technique of manual sample deposition followed by manual sample introduction where the RSDs are up to 110%. Furthermore, with the semi-automated sampling approach, semi-quantitative analysis of slurry samples has been achieved. Better quantification is expected with a fully automated sampling approach. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Microwave-Assisted Solution-Phase Synthesis and DART-Mass Spectrometric Monitoring of a Combinatorial Library of Indolin-2,3-dione Schiff Bases with Potential Antimycobacterial Activity.\n \n \n \n \n\n\n \n Aboul-Fadl, T.; Abdel-Aziz, H. A; Kadi, A.; Ahmad, P.; Elsaman, T.; Attwa, M. W; and Darwish, I. A\n\n\n \n\n\n\n Molecules, 16(6): 5194–5206. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"Microwave-AssistedPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{aboul-fadl_microwave-assisted_2011,\n\ttitle = {Microwave-{Assisted} {Solution}-{Phase} {Synthesis} and {DART}-{Mass} {Spectrometric} {Monitoring} of a {Combinatorial} {Library} of {Indolin}-2,3-dione {Schiff} {Bases} with {Potential} {Antimycobacterial} {Activity}},\n\tvolume = {16},\n\turl = {http://www.mdpi.com/1420-3049/16/6/5194/},\n\tabstract = {A combinatorial library composed of eleven hydrazides A-K and eleven indolin-1,2-dione derivatives 1-11 has been designed to formally generate sublibraries of 22 mixtures, M1-M22 comprising of 121 Schiff bases, A-K(1-11). The designed library has been synthesized by the solution-phase method and microwave-assisted synthetic techniques. The formation of individual compounds of each mixture was confirmed by Direct Analysis in Real Time (DART) as ionization technique connected to an Ion Trap as a mass detector. The synthesized mixtures were evaluated for their antimycobacterial activity against four Mycobacterium strains; M. intercellulari, M. xenopi, M. cheleneoi and M. smegmatis. Variable antimycobacterial activity was revealed with the investigated mixtures and maximum activity was shown by M8, M10, M11, and M15 with MIC values of 1.5, 3.1, 6.2 and 0.09 μg/mL, respectively. Application of the indexed method of analysis on these active mixtures revealed that compounds D8, D10 and D11 may contribute to the activity of the tested mixtures.},\n\tnumber = {6},\n\tjournal = {Molecules},\n\tauthor = {Aboul-Fadl, Tarek and Abdel-Aziz, Hatem A and Kadi, Adnan and Ahmad, Pervez and Elsaman, Tilal and Attwa, Mohamed W and Darwish, Ibrahim A},\n\tyear = {2011},\n\tpages = {5194--5206},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n A combinatorial library composed of eleven hydrazides A-K and eleven indolin-1,2-dione derivatives 1-11 has been designed to formally generate sublibraries of 22 mixtures, M1-M22 comprising of 121 Schiff bases, A-K(1-11). The designed library has been synthesized by the solution-phase method and microwave-assisted synthetic techniques. The formation of individual compounds of each mixture was confirmed by Direct Analysis in Real Time (DART) as ionization technique connected to an Ion Trap as a mass detector. The synthesized mixtures were evaluated for their antimycobacterial activity against four Mycobacterium strains; M. intercellulari, M. xenopi, M. cheleneoi and M. smegmatis. Variable antimycobacterial activity was revealed with the investigated mixtures and maximum activity was shown by M8, M10, M11, and M15 with MIC values of 1.5, 3.1, 6.2 and 0.09 μg/mL, respectively. Application of the indexed method of analysis on these active mixtures revealed that compounds D8, D10 and D11 may contribute to the activity of the tested mixtures.\n
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\n \n\n \n \n \n \n \n \n Identification of ambiguous cubeb fruit by DART-MS-based fingerprinting combined with principal component analysis.\n \n \n \n \n\n\n \n Kim, H. J.; Baek, W. S.; and Jang, Y. P.\n\n\n \n\n\n\n Food Chemistry, 129(3): 1305–1310. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{kim_identification_2011,\n\ttitle = {Identification of ambiguous cubeb fruit by {DART}-{MS}-based fingerprinting combined with principal component analysis},\n\tvolume = {129},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814611007862},\n\tdoi = {10.1016/j.foodchem.2011.05.083},\n\tabstract = {The cubeb berry has been used as a spice and medicinal herb since medieval times. In China, Litsea cubeba (Lauraceae) has been designated as the cubeb tree; in other countries, Piper cubeba (Piperaceae) is considered as the cubeb. Since most cubeb berries in the Korean market are imported from China, there is a need to develop an efficient analytical method for the identification of the origin of cubeb fruit. Thirty-two commercial cubeb samples were collected from China, Korea, and Indonesia, and direct analysis in real time mass spectrometry (DART-MS) was employed to obtain a chemical fingerprint of each sample for multivariate analysis. Cubebene was identified as a marker molecule for P. cubeba, and all cubeb samples from Korean markets were identified as the fruit of L. cubeba. DART-MS fingerprinting together with principal component analysis can be applied as a promising method for rapid identification and/or quality control of cubeb berries.},\n\tnumber = {3},\n\tjournal = {Food Chemistry},\n\tauthor = {Kim, Hye Jin and Baek, Wan Sook and Jang, Young Pyo},\n\tyear = {2011},\n\tkeywords = {Cubeb berries, Cubeb berries; Piper cubeba; Litsea cubeba; DART-MS; Principal component analysis; AccuTOF, DART-MS, Litsea cubeba, Piper cubeba, Principal component analysis},\n\tpages = {1305--1310},\n}\n\n\n\n
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\n The cubeb berry has been used as a spice and medicinal herb since medieval times. In China, Litsea cubeba (Lauraceae) has been designated as the cubeb tree; in other countries, Piper cubeba (Piperaceae) is considered as the cubeb. Since most cubeb berries in the Korean market are imported from China, there is a need to develop an efficient analytical method for the identification of the origin of cubeb fruit. Thirty-two commercial cubeb samples were collected from China, Korea, and Indonesia, and direct analysis in real time mass spectrometry (DART-MS) was employed to obtain a chemical fingerprint of each sample for multivariate analysis. Cubebene was identified as a marker molecule for P. cubeba, and all cubeb samples from Korean markets were identified as the fruit of L. cubeba. DART-MS fingerprinting together with principal component analysis can be applied as a promising method for rapid identification and/or quality control of cubeb berries.\n
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\n \n\n \n \n \n \n \n \n Quantitative analysis of major dibenzocyclooctane lignans in schisandrae fructus by online TLC-DART-MS.\n \n \n \n \n\n\n \n Kim, H. J.; Oh, M. S.; Hong, J.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis, 22(3): 258–262. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kim_quantitative_2011,\n\ttitle = {Quantitative analysis of major dibenzocyclooctane lignans in schisandrae fructus by online {TLC}-{DART}-{MS}},\n\tvolume = {22},\n\tissn = {09580344},\n\turl = {http://doi.wiley.com/10.1002/pca.1273},\n\tdoi = {10.1002/pca.1273},\n\tabstract = {Introduction – Direct analysis in real time (DART) ion source is a powerful ionising technique for the quick and easy detection of various organic molecules without any sample preparation steps, but the lack of quantitation capacity limits its extensive use in the field of phytochemical analysis.\nObjective – To improvise a new system which utilize DART-MS as a hyphenated detector for quantitation.\nMethodology – A total extract of Schisandra chinensis fruit was analyzed on a TLC plate and three major lignan compounds were quantitated by three different methods of UV densitometry, TLC-DART-MS and HPLC-UV to compare the efficiency of each method. To introduce the TLC plate into the DART ion source at a constant velocity, a syringe pump was employed. The DART-MS total ion current chromatogram was recorded for the entire TLC plate. The concentration of each lignan compound was calculated from the calibration curve established with standard compound.\nResults – Gomisin A, gomisin N and schisandrin were well separated on a silica-coated TLC plate and the specific ion current chromatograms were successfully acquired from the TLC-DART-MS system. The TLC-DART-MS system for the quantitation of natural products showed better linearity and specificity than TLC densitometry, and consumed less time and solvent than conventional HPLC method.\nConclusion – A hyphenated system for the quantitation of phytochemicals from crude herbal drugs was successfully established. This system was shown to have a powerful analytical capacity for the prompt and efficient quantitation of natural products from crude drugs.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Oh, Myung Sook and Hong, Jongki and Jang, Young Pyo},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {258--262},\n}\n\n\n\n
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\n Introduction – Direct analysis in real time (DART) ion source is a powerful ionising technique for the quick and easy detection of various organic molecules without any sample preparation steps, but the lack of quantitation capacity limits its extensive use in the field of phytochemical analysis. Objective – To improvise a new system which utilize DART-MS as a hyphenated detector for quantitation. Methodology – A total extract of Schisandra chinensis fruit was analyzed on a TLC plate and three major lignan compounds were quantitated by three different methods of UV densitometry, TLC-DART-MS and HPLC-UV to compare the efficiency of each method. To introduce the TLC plate into the DART ion source at a constant velocity, a syringe pump was employed. The DART-MS total ion current chromatogram was recorded for the entire TLC plate. The concentration of each lignan compound was calculated from the calibration curve established with standard compound. Results – Gomisin A, gomisin N and schisandrin were well separated on a silica-coated TLC plate and the specific ion current chromatograms were successfully acquired from the TLC-DART-MS system. The TLC-DART-MS system for the quantitation of natural products showed better linearity and specificity than TLC densitometry, and consumed less time and solvent than conventional HPLC method. Conclusion – A hyphenated system for the quantitation of phytochemicals from crude herbal drugs was successfully established. This system was shown to have a powerful analytical capacity for the prompt and efficient quantitation of natural products from crude drugs.\n
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\n \n\n \n \n \n \n \n \n Epiafzelechin from the Root Bark of Cassia sieberiana: Detection by DART Mass Spectrometry, Spectroscopic Characterization, and Antioxidant Properties.\n \n \n \n \n\n\n \n Kpegba, K.; Agbonon, A.; Petrovic, A. G.; Amouzou, E.; Gbeassor, M.; Proni, G.; and Nesnas, N.\n\n\n \n\n\n\n Journal of Natural Products, 74(3): 455–459. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"EpiafzelechinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kpegba_epiafzelechin_2011,\n\ttitle = {Epiafzelechin from the {Root} {Bark} of {Cassia} sieberiana: {Detection} by {DART} {Mass} {Spectrometry}, {Spectroscopic} {Characterization}, and {Antioxidant} {Properties}},\n\tvolume = {74},\n\tissn = {0163-3864, 1520-6025},\n\tshorttitle = {Epiafzelechin from the {Root} {Bark} of {Cassia} sieberiana},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/np100090e},\n\tdoi = {10.1021/np100090e},\n\tabstract = {The root bark of Cassia sieberiana was analyzed using direct analysis in real time mass spectrometry, and a main flavonoid component with an [M + H]+ mass of 275 was identified. The flavonoid, epiafzelechin, was isolated and fully characterized with the concerted use of NMR spectroscopy, circular dichroism, and optical rotation. Electronic circular dichroism and optical rotation TDDFT calculations were also performed, and their agreement with the experimental results confirmed the enantiomeric identity of the isolated natural product. The antioxidant activity of the compound was also investigated.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Journal of Natural Products},\n\tauthor = {Kpegba, Kafui and Agbonon, Amegnona and Petrovic, Ana G. and Amouzou, Etchri and Gbeassor, Messanvi and Proni, Gloria and Nesnas, Nasri},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {455--459},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n The root bark of Cassia sieberiana was analyzed using direct analysis in real time mass spectrometry, and a main flavonoid component with an [M + H]+ mass of 275 was identified. The flavonoid, epiafzelechin, was isolated and fully characterized with the concerted use of NMR spectroscopy, circular dichroism, and optical rotation. Electronic circular dichroism and optical rotation TDDFT calculations were also performed, and their agreement with the experimental results confirmed the enantiomeric identity of the isolated natural product. The antioxidant activity of the compound was also investigated.\n
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\n \n\n \n \n \n \n \n \n Direct analysis of dithiocarbamate fungicides in fruit by ambient mass spectrometry.\n \n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Zomer, P.; Mol, H.; and Hajslova, J.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 28(10): 1372–1382. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{cajka_direct_2011,\n\ttitle = {Direct analysis of dithiocarbamate fungicides in fruit by ambient mass spectrometry},\n\tvolume = {28},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2011.590456},\n\tdoi = {10.1080/19440049.2011.590456},\n\tabstract = {Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.\nDithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.},\n\tnumber = {10},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Cajka, Tomas and Riddellova, Katerina and Zomer, Paul and Mol, Hans and Hajslova, Jana},\n\tyear = {2011},\n\tpages = {1372--1382},\n}\n\n\n\n
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\n Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained. Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.\n
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\n \n\n \n \n \n \n \n \n Precursors and Formation of Pyrithione and Other Pyridyl-Containing Sulfur Compounds in Drumstick Onion, Allium stipitatum.\n \n \n \n \n\n\n \n Kubec, R.; Krejčová, P.; Šimek, P.; Václavík, L.; Hajšlová, J.; and Schraml, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(10): 5763–5770. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PrecursorsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kubec_precursors_2011,\n\ttitle = {Precursors and {Formation} of {Pyrithione} and {Other} {Pyridyl}-{Containing} {Sulfur} {Compounds} in {Drumstick} {Onion}, {Allium} stipitatum},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf200704n},\n\tdoi = {10.1021/jf200704n},\n\tabstract = {Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.\nTwo novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.},\n\tnumber = {10},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Kubec, Roman and Krejčová, Petra and Šimek, Petr and Václavík, Lukáš and Hajšlová, Jana and Schraml, Jan},\n\tyear = {2011},\n\tkeywords = {Allium stipitatum; S-(2-pyridyl)cysteine N-oxide; marasmin; sulfenic acid; DART-MS; pyrithione; AccuTOF},\n\tpages = {5763--5770},\n}\n\n\n\n
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\n Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product. Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.\n
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\n \n\n \n \n \n \n \n \n Challenging applications offered by direct analysis in real time (DART) in food-quality and safety analysis.\n \n \n \n \n\n\n \n Hajslova, J.; Cajka, T.; and Vaclavik, L.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry, 30(2): 204–218. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ChallengingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{hajslova_challenging_2011,\n\ttitle = {Challenging applications offered by direct analysis in real time ({DART}) in food-quality and safety analysis},\n\tvolume = {30},\n\tissn = {0165-9936},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0165993610003134},\n\tdoi = {10.1016/j.trac.2010.11.001},\n\tabstract = {Direct analysis in real time (DART) is an ambient ionization technique undergoing rapid development. With minimal sample pre-treatment, ionization of analyte molecules outside the mass spectrometry (MS) instrument in the ordinary atmosphere is feasible. This ionization approach relies upon the fundamental principles of atmospheric pressure chemical ionization.\n\nThe current review highlights and critically assesses application of DART (and some related desorption/ionization techniques) coupled to various types of MS analyzers for both target and non-target analysis of complex food matrices. Based on existing studies, DART-MS is presented as a simple, high-throughput tool for:(i)\nqualitative confirmation of chemical identity;\n(ii)\nmetabolomic fingerprinting/profiling; and,\n(iii)\nquantification of low-molecular-weight food components, including some trace organic contaminants.\n\n\nWith regard to regulatory requirements, we mention practical aspects of DART-MS use, as well as performance characteristics that can be attained.},\n\tnumber = {2},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Hajslova, Jana and Cajka, Tomas and Vaclavik, Lukas},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Ambient ionization, Atmospheric pressure chemical ionization, Contaminant, DART, Direct analysis in real time, Fingerprinting, Food quality, Food safety, Profiling, mass spectrometry},\n\tpages = {204--218},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is an ambient ionization technique undergoing rapid development. With minimal sample pre-treatment, ionization of analyte molecules outside the mass spectrometry (MS) instrument in the ordinary atmosphere is feasible. This ionization approach relies upon the fundamental principles of atmospheric pressure chemical ionization. The current review highlights and critically assesses application of DART (and some related desorption/ionization techniques) coupled to various types of MS analyzers for both target and non-target analysis of complex food matrices. Based on existing studies, DART-MS is presented as a simple, high-throughput tool for:(i) qualitative confirmation of chemical identity; (ii) metabolomic fingerprinting/profiling; and, (iii) quantification of low-molecular-weight food components, including some trace organic contaminants. With regard to regulatory requirements, we mention practical aspects of DART-MS use, as well as performance characteristics that can be attained.\n
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\n \n\n \n \n \n \n \n \n Danshen extract does not alter pharmacokinetics of docetaxel and clopidogrel, reflecting its negligible potential in P-glycoprotein- and cytochrome P4503A-mediated herb–drug interactions.\n \n \n \n \n\n\n \n Lee, J. H.; Shin, Y.; Kim, H. J.; Oh, J.; Jang, Y. P.; and Lee, Y.\n\n\n \n\n\n\n International Journal of Pharmaceutics, 410(1-2): 68–74. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DanshenPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{lee_danshen_2011,\n\ttitle = {Danshen extract does not alter pharmacokinetics of docetaxel and clopidogrel, reflecting its negligible potential in {P}-glycoprotein- and cytochrome {P4503A}-mediated herb–drug interactions},\n\tvolume = {410},\n\turl = {http://dx.doi.org/10.1016/j.ijpharm.2011.03.031},\n\tabstract = {Danshen (Salvia miltiorrhiza) contains tanshinones, which inhibit P-glycoprotein (P-gp) and the cytochrome P450 (CYP) system. In the present study, we evaluated the possible pharmacokinetic interactions of Danshen extract with docetaxel and clopidogrel in rats. Docetaxel (5 mg/kg intravenously and 40 mg/kg orally) or clopidogrel (30 mg/kg orally) was administered to rats with or without oral co-administration of Danshen (400 mg/kg). Co-administration of Danshen did not affect the plasma concentration profiles and pharmacokinetic parameters of docetaxel and clopidogrel, whereas cyclosporine A, a P-gp and CYP3A inhibitor, significantly influenced the pharmacokinetics of co-administered docetaxel and clopidogrel. Orally administered Danshen had no substantial effect on the pharmacokinetics of docetaxel and clopidogrel, suggesting the negligible safety concern of Danshen in P-gp- and CYP3A-mediated interactions in vivo.},\n\tnumber = {1-2},\n\tjournal = {International Journal of Pharmaceutics},\n\tauthor = {Lee, Joo Hyun and Shin, Yong-Jun and Kim, Hye Jin and Oh, Ju-Hee and Jang, Young Pyo and Lee, Young-Joo},\n\tyear = {2011},\n\tkeywords = {Danshen; Docetaxel; Clopidogrel; Pharmacokinetic interaction; P-glycoprotein; Cytochrome P450 3A; AccuTOF},\n\tpages = {68--74},\n}\n\n\n\n
\n
\n\n\n
\n Danshen (Salvia miltiorrhiza) contains tanshinones, which inhibit P-glycoprotein (P-gp) and the cytochrome P450 (CYP) system. In the present study, we evaluated the possible pharmacokinetic interactions of Danshen extract with docetaxel and clopidogrel in rats. Docetaxel (5 mg/kg intravenously and 40 mg/kg orally) or clopidogrel (30 mg/kg orally) was administered to rats with or without oral co-administration of Danshen (400 mg/kg). Co-administration of Danshen did not affect the plasma concentration profiles and pharmacokinetic parameters of docetaxel and clopidogrel, whereas cyclosporine A, a P-gp and CYP3A inhibitor, significantly influenced the pharmacokinetics of co-administered docetaxel and clopidogrel. Orally administered Danshen had no substantial effect on the pharmacokinetics of docetaxel and clopidogrel, suggesting the negligible safety concern of Danshen in P-gp- and CYP3A-mediated interactions in vivo.\n
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\n \n\n \n \n \n \n \n Crushing Garlic and Slicing Onions: Detection of Sulfenic Acids and Other Reactive Organosulfur Intermediates from Garlic and Other Alliums using Direct Analysis in Real-Time Mass Spectrometry (DART-MS).\n \n \n \n\n\n \n Block, E.; Dane, A.; and Cody, R.\n\n\n \n\n\n\n Phosphorus, Sulfur, and Silicon and the Related Elements, 186(5): 1085–1093. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{block_crushing_2011,\n\ttitle = {Crushing {Garlic} and {Slicing} {Onions}: {Detection} of {Sulfenic} {Acids} and {Other} {Reactive} {Organosulfur} {Intermediates} from {Garlic} and {Other} {Alliums} using {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry} ({DART}-{MS})},\n\tvolume = {186},\n\tabstract = {Direct analysis in real-time mass spectrometry (DART-MS) under both positive-ion (PI) and negative-ion (NI) high-resolution (HR) conditions has been used to identify reactive sulfur-containing compounds formed from cutting seven different genus Allium species, garlic, onion, elephant garlic, leek, Chinese chives, and the ornamental species, Allium siculum and A. stipitatum. From cut garlic, PI-DART-MS shows allicin, allyl/methyl and dimethyl thiosulfinates, diallyl trisulfane S-oxide, allyl alcohol, and propene, whereas NI-DART-MS shows 2-propenesulfenic acid, 2-propenesulfinic acid, SO2, and pyruvate. From cut onion, PI-DART-MS shows mainly the lachrymatory factor (LF), along with much lower amounts of thiosulfinates, zwiebelanes, and a bis-sulfine. From cut elephant garlic, both allicin and LF are found, along with thiosulfinates and bis-sulfine. From cut leek, using PI-DART-MS, mixed methyl-1-propenyl-n-propyl thiosulfinates are found, whereas cut Chinese chive shows predominantly methyl with lesser amounts of mixed allyl/methyl thiosufinates. From cut A. siculum, PI-DART-MS shows butanethial S-oxide along with lesser amounts of mixed 1-butenyl/n-butyl/methyl thiosulfinates, while from cut A. stipitatum, N-hydroxy-2-pyridinethione (pyrithone) is seen. PI-DART-MS analysis of all six cut Allium species showed that disulfanes and polysulfanes were absent, which is consistent with these compounds being artifacts from handling and analysis.},\n\tnumber = {5},\n\tjournal = {Phosphorus, Sulfur, and Silicon and the Related Elements},\n\tauthor = {Block, E. and Dane, A.J. and Cody, R.B.},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {1085--1093},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Direct analysis in real-time mass spectrometry (DART-MS) under both positive-ion (PI) and negative-ion (NI) high-resolution (HR) conditions has been used to identify reactive sulfur-containing compounds formed from cutting seven different genus Allium species, garlic, onion, elephant garlic, leek, Chinese chives, and the ornamental species, Allium siculum and A. stipitatum. From cut garlic, PI-DART-MS shows allicin, allyl/methyl and dimethyl thiosulfinates, diallyl trisulfane S-oxide, allyl alcohol, and propene, whereas NI-DART-MS shows 2-propenesulfenic acid, 2-propenesulfinic acid, SO2, and pyruvate. From cut onion, PI-DART-MS shows mainly the lachrymatory factor (LF), along with much lower amounts of thiosulfinates, zwiebelanes, and a bis-sulfine. From cut elephant garlic, both allicin and LF are found, along with thiosulfinates and bis-sulfine. From cut leek, using PI-DART-MS, mixed methyl-1-propenyl-n-propyl thiosulfinates are found, whereas cut Chinese chive shows predominantly methyl with lesser amounts of mixed allyl/methyl thiosufinates. From cut A. siculum, PI-DART-MS shows butanethial S-oxide along with lesser amounts of mixed 1-butenyl/n-butyl/methyl thiosulfinates, while from cut A. stipitatum, N-hydroxy-2-pyridinethione (pyrithone) is seen. PI-DART-MS analysis of all six cut Allium species showed that disulfanes and polysulfanes were absent, which is consistent with these compounds being artifacts from handling and analysis.\n
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\n \n\n \n \n \n \n \n \n Thin layer chromatography/mass spectrometry.\n \n \n \n \n\n\n \n Cheng, S.; Huang, M.; and Shiea, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1218(19): 2700–2711. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ThinPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cheng_thin_2011,\n\ttitle = {Thin layer chromatography/mass spectrometry},\n\tvolume = {1218},\n\turl = {http://dx.doi.org/10.1016/j.chroma.2011.01.077},\n\tabstract = {Thin layer chromatography (TLC)—a simple, cost-effective, and easy-to-operate planar chromatographic technique—has been used in general chemistry laboratories for several decades to routinely separate chemical and biochemical compounds. Traditionally, chemical and optical methods are employed to visualize the analyte spots on the TLC plate. Because direct identification and structural characterization of the analytes on the TLC plate through these methods are not possible, there has been long-held interest in the development of interfaces that allow TLC to be combined with mass spectrometry (MS)—one of the most efficient analytical tools for structural elucidation. So far, many different TLC–MS techniques have been reported in the literature; some are commercially available. According to differences in their operational processes, the existing TLC–MS systems can be classified into two categories: (i) indirect mass spectrometric analyses, performed by scraping, extracting, purifying, and concentrating the analyte from the TLC plate and then directing it into the mass spectrometer's ion source for further analysis; (ii) direct mass spectrometric analyses, where the analyte on the TLC plate is characterized directly through mass spectrometry without the need for scraping, extraction, or concentration processes. Conventionally, direct TLC–MS analysis is performed under vacuum, but the development of ambient mass spectrometry has allowed analytes on TLC plates to be characterized under atmospheric pressure. Thus, TLC–MS techniques can also be classified into two other categories according to the working environment of the ion source: vacuum-based TLC–MS or ambient TLC–MS. This review article describes the state of the art of TLC–MS techniques used for indirect and direct characterization of analytes on the surfaces of TLC plates.},\n\tnumber = {19},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Cheng, Sy-Chyi and Huang, Min-Zong and Shiea, Jentaie},\n\tyear = {2011},\n\tkeywords = {Review; TLC–MS; Ambient ionization; Vacuum-based ionization; Desorption/ionization; Direct sampling; Indirect sampling},\n\tpages = {2700--2711},\n}\n\n\n\n
\n
\n\n\n
\n Thin layer chromatography (TLC)—a simple, cost-effective, and easy-to-operate planar chromatographic technique—has been used in general chemistry laboratories for several decades to routinely separate chemical and biochemical compounds. Traditionally, chemical and optical methods are employed to visualize the analyte spots on the TLC plate. Because direct identification and structural characterization of the analytes on the TLC plate through these methods are not possible, there has been long-held interest in the development of interfaces that allow TLC to be combined with mass spectrometry (MS)—one of the most efficient analytical tools for structural elucidation. So far, many different TLC–MS techniques have been reported in the literature; some are commercially available. According to differences in their operational processes, the existing TLC–MS systems can be classified into two categories: (i) indirect mass spectrometric analyses, performed by scraping, extracting, purifying, and concentrating the analyte from the TLC plate and then directing it into the mass spectrometer's ion source for further analysis; (ii) direct mass spectrometric analyses, where the analyte on the TLC plate is characterized directly through mass spectrometry without the need for scraping, extraction, or concentration processes. Conventionally, direct TLC–MS analysis is performed under vacuum, but the development of ambient mass spectrometry has allowed analytes on TLC plates to be characterized under atmospheric pressure. Thus, TLC–MS techniques can also be classified into two other categories according to the working environment of the ion source: vacuum-based TLC–MS or ambient TLC–MS. This review article describes the state of the art of TLC–MS techniques used for indirect and direct characterization of analytes on the surfaces of TLC plates.\n
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\n \n\n \n \n \n \n \n \n Fast identification of phthalic acid esters in poly(vinyl chloride) samples by Direct Analysis In Real Time (DART) tandem mass spectrometry.\n \n \n \n \n\n\n \n Kuki, Á.; Nagy, L.; Zsuga, M.; and Kéki, S.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 303(2–3): 225–228. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"FastPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kuki_fast_2011,\n\ttitle = {Fast identification of phthalic acid esters in poly(vinyl chloride) samples by {Direct} {Analysis} {In} {Real} {Time} ({DART}) tandem mass spectrometry},\n\tvolume = {303},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380611000698},\n\tdoi = {10.1016/j.ijms.2011.02.011},\n\tabstract = {It was found that the collision energy/voltage necessary to obtain 50\\% fragmentation (CV50) was linearly dependent on the molecular weight of phthalic acid esters (PAEs). Based on this observation a fast screening technique for the detection of PAEs in poly vinyl chloride (PVC) samples was developed using Direct Analysis in Real Time (DART) ionization tandem mass spectrometry. Based on this observation an automated data acquisition method, including mass-dependent tuning of the collision energy/voltage in DART-MS/MS, was developed thereby reducing the analysis time.},\n\tnumber = {2–3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Kuki, Ákos and Nagy, Lajos and Zsuga, Miklós and Kéki, Sándor},\n\tyear = {2011},\n\tkeywords = {Direct Analysis in Real Time ionization (DART), Phthalic acid ester, Poly(vinyl chloride), Tandem mass spectrometry (MS/MS)},\n\tpages = {225--228},\n}\n\n\n\n
\n
\n\n\n
\n It was found that the collision energy/voltage necessary to obtain 50% fragmentation (CV50) was linearly dependent on the molecular weight of phthalic acid esters (PAEs). Based on this observation a fast screening technique for the detection of PAEs in poly vinyl chloride (PVC) samples was developed using Direct Analysis in Real Time (DART) ionization tandem mass spectrometry. Based on this observation an automated data acquisition method, including mass-dependent tuning of the collision energy/voltage in DART-MS/MS, was developed thereby reducing the analysis time.\n
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\n \n\n \n \n \n \n \n \n Qualitative Analysis of Tackifier Resins in Pressure Sensitive Adhesives Using Direct Analysis in Real Time Time-of-Flight Mass Spectrometry.\n \n \n \n \n\n\n \n Mess, A.; Vietzke, J.; Rapp, C.; and Francke, W.\n\n\n \n\n\n\n Anal. Chem., 83(19): 7323–7330. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"QualitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{mess_qualitative_2011,\n\ttitle = {Qualitative {Analysis} of {Tackifier} {Resins} in {Pressure} {Sensitive} {Adhesives} {Using} {Direct} {Analysis} in {Real} {Time} {Time}-of-{Flight} {Mass} {Spectrometry}},\n\tvolume = {83},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac2011608},\n\tdoi = {10.1021/ac2011608},\n\tabstract = {Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1\\% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.\nTackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1\\% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.},\n\tnumber = {19},\n\tjournal = {Anal. Chem.},\n\tauthor = {Mess, Aylin and Vietzke, Jens-Peter and Rapp, Claudius and Francke, Wittko},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {7323--7330},\n}\n\n\n\n
\n
\n\n\n
\n Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs. Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.\n
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\n \n\n \n \n \n \n \n \n Analysis of Alprazolam by DART-TOF Mass Spectrometry in Counterfeit and Routine Drug Identification Cases.\n \n \n \n \n\n\n \n Samms, W. C.; Jiang, Y. J.; Dixon, M. D.; Houck, S. S.; and Mozayani, A.\n\n\n \n\n\n\n Journal of Forensic Sciences, 56(4): 993–998. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{samms_analysis_2011,\n\ttitle = {Analysis of {Alprazolam} by {DART}-{TOF} {Mass} {Spectrometry} in {Counterfeit} and {Routine} {Drug} {Identification} {Cases}},\n\tvolume = {56},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2011.01767.x},\n\tdoi = {10.1111/j.1556-4029.2011.01767.x},\n\tabstract = {Abstract:  The high prevalence of alprazolam abuse translates to an increased workload for crime laboratories in characterizing seized tablets. These tablets may originate as diverted pharmaceuticals or counterfeited mimics, so efficient analytical techniques should provide confirmatory data while minimizing destruction of evidence. We offer the first report of a validated forensic method for confirming alprazolam tablets by direct analysis in real time–time of flight (DART-TOF) mass spectrometric analysis. This technique provides rapid identification of target analytes with minimal sample preparation, allowing direct analysis in the atmospheric sample gap. Selectivity is achieved through high resolution and mass accuracy, unique ion fragments, and chlorine isotopic ratios. This method utilizes fragmentation in two separate voltage functions to observe the alprazolam pseudo molecular ion at 309.09070 using 40 V and major ion fragments of 281.07197 and 205.07657 at 120 V. These parameters allow our laboratory to confirm alprazolam tablets efficiently, without compromising quality forensic standards.},\n\tnumber = {4},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Samms, Warren C. and Jiang, Yongyi Julia and Dixon, Mark D. and Houck, Stephen S. and Mozayani, Ashraf},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Direct analysis in real time, alprazolam, confirmation, controlled substances, counterfeit, forensic science},\n\tpages = {993--998},\n}\n\n\n\n
\n
\n\n\n
\n Abstract:  The high prevalence of alprazolam abuse translates to an increased workload for crime laboratories in characterizing seized tablets. These tablets may originate as diverted pharmaceuticals or counterfeited mimics, so efficient analytical techniques should provide confirmatory data while minimizing destruction of evidence. We offer the first report of a validated forensic method for confirming alprazolam tablets by direct analysis in real time–time of flight (DART-TOF) mass spectrometric analysis. This technique provides rapid identification of target analytes with minimal sample preparation, allowing direct analysis in the atmospheric sample gap. Selectivity is achieved through high resolution and mass accuracy, unique ion fragments, and chlorine isotopic ratios. This method utilizes fragmentation in two separate voltage functions to observe the alprazolam pseudo molecular ion at 309.09070 using 40 V and major ion fragments of 281.07197 and 205.07657 at 120 V. These parameters allow our laboratory to confirm alprazolam tablets efficiently, without compromising quality forensic standards.\n
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\n \n\n \n \n \n \n \n \n A rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by direct analysis in real-time mass spectrometry.\n \n \n \n \n\n\n \n Kim, S. W.; Kim, H. J.; Kim, J. H.; Kwon, Y. K.; Ahn, M. S.; Jang, Y. P.; and Liu, J. R\n\n\n \n\n\n\n Plant Methods, 7(1): 1–10. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_rapid_2011,\n\ttitle = {A rapid, simple method for the genetic discrimination of intact {Arabidopsis} thaliana mutant seeds using metabolic profiling by direct analysis in real-time mass spectrometry},\n\tvolume = {7},\n\tissn = {1746-4811},\n\turl = {http://www.plantmethods.com/content/7/1/14},\n\tdoi = {10.1186/1746-4811-7-14},\n\tabstract = {Background  \nEfficient high throughput screening systems of useful mutants are prerequisite for study of plant functional genomics and lots of application fields. Advance in such screening tools, thanks to the development of analytic instruments. Direct analysis in real-time (DART)-mass spectrometry (MS) by ionization of complex materials at atmospheric pressure is a rapid, simple, high-resolution analytical technique. Here we describe a rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by DART-MS.\n\nResults  \nTo determine whether this DART-MS combined by multivariate analysis can perform genetic discrimination based on global metabolic profiling, intact Arabidopsis thaliana mutant seeds were subjected to DART-MS without any sample preparation. Partial least squares-discriminant analysis (PLS-DA) of DART-MS spectral data from intact seeds classified 14 different lines of seeds into two distinct groups: Columbia (Col-0) and Landsberg erecta (Ler) ecotype backgrounds. A hierarchical dendrogram based on partial least squares-discriminant analysis (PLS-DA) subdivided the Col-0 ecotype into two groups: mutant lines harboring defects in the phenylpropanoid biosynthetic pathway and mutants without these defects. These results indicated that metabolic profiling with DART-MS could discriminate intact Arabidopsis seeds at least ecotype level and metabolic pathway level within same ecotype.\n\nConclusion  \nThe described DART-MS combined by multivariate analysis allows for rapid screening and metabolic characterization of lots of Arabidopsis mutant seeds without complex metabolic preparation steps. Moreover, potential novel metabolic markers can be detected and used to clarify the genetic relationship between Arabidopsis cultivars. Furthermore this technique can be applied to predict the novel gene function of metabolic mutants regardless of morphological phenotypes.},\n\tnumber = {1},\n\tjournal = {Plant Methods},\n\tauthor = {Kim, Suk Weon and Kim, Hye Jin and Kim, Jong Hyun and Kwon, Yong Kook and Ahn, Myung Suk and Jang, Young Pyo and Liu, Jang R},\n\tyear = {2011},\n\tkeywords = {Arabidopsis thaliana; Direct analysis in real-time mass spectrometry (DART-MS); partial least squares-discriminant analysis (PLS-DA); seed; AccuTOF},\n\tpages = {1--10},\n}\n\n\n\n
\n
\n\n\n
\n Background Efficient high throughput screening systems of useful mutants are prerequisite for study of plant functional genomics and lots of application fields. Advance in such screening tools, thanks to the development of analytic instruments. Direct analysis in real-time (DART)-mass spectrometry (MS) by ionization of complex materials at atmospheric pressure is a rapid, simple, high-resolution analytical technique. Here we describe a rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by DART-MS. Results To determine whether this DART-MS combined by multivariate analysis can perform genetic discrimination based on global metabolic profiling, intact Arabidopsis thaliana mutant seeds were subjected to DART-MS without any sample preparation. Partial least squares-discriminant analysis (PLS-DA) of DART-MS spectral data from intact seeds classified 14 different lines of seeds into two distinct groups: Columbia (Col-0) and Landsberg erecta (Ler) ecotype backgrounds. A hierarchical dendrogram based on partial least squares-discriminant analysis (PLS-DA) subdivided the Col-0 ecotype into two groups: mutant lines harboring defects in the phenylpropanoid biosynthetic pathway and mutants without these defects. These results indicated that metabolic profiling with DART-MS could discriminate intact Arabidopsis seeds at least ecotype level and metabolic pathway level within same ecotype. Conclusion The described DART-MS combined by multivariate analysis allows for rapid screening and metabolic characterization of lots of Arabidopsis mutant seeds without complex metabolic preparation steps. Moreover, potential novel metabolic markers can be detected and used to clarify the genetic relationship between Arabidopsis cultivars. Furthermore this technique can be applied to predict the novel gene function of metabolic mutants regardless of morphological phenotypes.\n
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\n \n\n \n \n \n \n \n Analytical methods for the quantification of volatile aromatic compounds.\n \n \n \n\n\n \n Biniecka, M.; and Caroli, S.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry, 30(11): 1756–1770. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{biniecka_analytical_2011,\n\ttitle = {Analytical methods for the quantification of volatile aromatic compounds},\n\tvolume = {30},\n\tabstract = {The investigation of odorants is not an easy task, which needs to be undertaken in the context of fit-for-purpose quality systems. To date, great attention has been paid to determination of the volatile fractions of odorants, since they are responsible for the attributes of global flavor [i.e. a combination of olfactory (aroma) and gustatory (taste) sensations produced by chemicals]. This kind of determination can be carried out by analytical techniques [e.g., gas chromatography (GC) combined with mass spectrometry and/or olfactometric GC]. Methods complementary to GC analysis are available, allowing assessment of the olfactory impact by an electronic nose (e-nose) or a panel of selected individuals. Also, we consider some innovative analytical techniques to study the effects of odorants in food during consumption.},\n\tnumber = {11},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Biniecka, Małgorzata and Caroli, Sergio},\n\tyear = {2011},\n\tkeywords = {Analytical method; Electronic nose; Food odorant; Gas chromatography; Mass spectrometry; Odorant; Odorant determination; Olfactometric gas chromatography; Volatile aromatic compound},\n\tpages = {1756--1770},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The investigation of odorants is not an easy task, which needs to be undertaken in the context of fit-for-purpose quality systems. To date, great attention has been paid to determination of the volatile fractions of odorants, since they are responsible for the attributes of global flavor [i.e. a combination of olfactory (aroma) and gustatory (taste) sensations produced by chemicals]. This kind of determination can be carried out by analytical techniques [e.g., gas chromatography (GC) combined with mass spectrometry and/or olfactometric GC]. Methods complementary to GC analysis are available, allowing assessment of the olfactory impact by an electronic nose (e-nose) or a panel of selected individuals. Also, we consider some innovative analytical techniques to study the effects of odorants in food during consumption.\n
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\n \n\n \n \n \n \n \n \n Rapid identification and absence of drug tests for AG-013736 in 1 mg Axitinib tablets by ion mobility spectrometry and DART™ mass spectrometry.\n \n \n \n \n\n\n \n Likar, M. D.; Cheng, G.; Mahajan, N.; and Zhang, Z.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 55(3): 569–573. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{likar_rapid_2011,\n\ttitle = {Rapid identification and absence of drug tests for {AG}-013736 in 1 mg {Axitinib} tablets by ion mobility spectrometry and {DART}™ mass spectrometry},\n\tvolume = {55},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708511001099},\n\tdoi = {10.1016/j.jpba.2011.02.021},\n\tabstract = {Axitinib (AG-013736) is a potent investigational drug that has antitumor activity in patients with metastatic renal cell carcinoma and other types of cancers. In this study, ion mobility spectrometry and “direct analysis in real time” (DART™) mass spectrometry were used to rapidly identify AG-013736 in drug substance samples and 1\\&\\#xa0;mg Axitinib tablets. The plasmagrams of the sample solutions exhibited a major peak with a reduced ion mobility that was within ±0.0002\\&\\#xa0;cm2\\&\\#xa0;V−1\\&\\#xa0;s−1 of that for AG-013736 in an external reference standard solution. The DART ionization source was coupled with both a time-of-flight mass spectrometer and a lower-resolution ion trap mass spectrometer. Samples were analyzed by this technique in as little as 5\\&\\#xa0;s with minimal to no sample preparation required. The isotopic masses of the protonated dimer ions of AG-013736 were used to identify AG-013736 in the active tablet. Both techniques were also used to develop low-level limit tests for rapidly verifying the presence or absence of AG-013736 in blinded clinical supplies of active and matching placebo tablets of Axitinib.},\n\tnumber = {3},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Likar, Michael D. and Cheng, Guilong and Mahajan, Nidhi and Zhang, Zhongli},\n\tyear = {2011},\n\tkeywords = {Axitinib, Direct analysis in real time, Ion mobility spectrometry, Ion mobility spectrometry; Direct analysis in real time; Mass spectrometry; Axitinib; AccuTOF, mass spectrometry},\n\tpages = {569--573},\n}\n\n\n\n
\n
\n\n\n
\n Axitinib (AG-013736) is a potent investigational drug that has antitumor activity in patients with metastatic renal cell carcinoma and other types of cancers. In this study, ion mobility spectrometry and “direct analysis in real time” (DART™) mass spectrometry were used to rapidly identify AG-013736 in drug substance samples and 1 mg Axitinib tablets. The plasmagrams of the sample solutions exhibited a major peak with a reduced ion mobility that was within ±0.0002 cm2 V−1 s−1 of that for AG-013736 in an external reference standard solution. The DART ionization source was coupled with both a time-of-flight mass spectrometer and a lower-resolution ion trap mass spectrometer. Samples were analyzed by this technique in as little as 5 s with minimal to no sample preparation required. The isotopic masses of the protonated dimer ions of AG-013736 were used to identify AG-013736 in the active tablet. Both techniques were also used to develop low-level limit tests for rapidly verifying the presence or absence of AG-013736 in blinded clinical supplies of active and matching placebo tablets of Axitinib.\n
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\n \n\n \n \n \n \n \n \n Some new features of Direct Analysis in Real Time mass spectrometry utilizing the desorption at an angle option.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Revelsky, A. I.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(16): 2275–2282. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SomePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_new_2011,\n\ttitle = {Some new features of {Direct} {Analysis} in {Real} {Time} mass spectrometry utilizing the desorption at an angle option},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5112},\n\tdoi = {10.1002/rcm.5112},\n\tabstract = {The present study is a first step towards the unexplored capabilities of Direct Analysis in Real Time (DART) mass spectrometry (MS) arising from the possibility of the desorption at an angle: scanning analysis of surfaces, including the coupling of thin-layer chromatography (TLC) with DART-MS, and a more sensitive analysis due to the preliminary concentration of analytes dissolved in large volumes of liquids on glass surfaces. In order to select the most favorable conditions for DART-MS analysis, proper positioning of samples is important. Therefore, a simple and cheap technique for the visualization of the impact region of the DART gas stream onto a substrate was developed. A filter paper or TLC plate, previously loaded with the analyte, was immersed in a derivatization solution. On this substrate, owing to the impact of the hot DART gas, reaction of the analyte to a colored product occurred. An improved capability of detection of DART-MS for the analysis of liquids was demonstrated by applying large volumes of model solutions of coumaphos into small glass vessels and drying these solutions prior to DART-MS analysis under ambient conditions. This allowed the introduction of, by up to more than two orders of magnitude, increased quantities of analyte compared with the conventional DART-MS analysis of liquids. Through this improved detectability, the capabilities of DART-MS in trace analysis could be strengthened. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {16},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Revelsky, Alexander I. and Morlock, Gertrud E.},\n\tyear = {2011},\n\tkeywords = {Agilent Quad},\n\tpages = {2275--2282},\n}\n\n\n\n
\n
\n\n\n
\n The present study is a first step towards the unexplored capabilities of Direct Analysis in Real Time (DART) mass spectrometry (MS) arising from the possibility of the desorption at an angle: scanning analysis of surfaces, including the coupling of thin-layer chromatography (TLC) with DART-MS, and a more sensitive analysis due to the preliminary concentration of analytes dissolved in large volumes of liquids on glass surfaces. In order to select the most favorable conditions for DART-MS analysis, proper positioning of samples is important. Therefore, a simple and cheap technique for the visualization of the impact region of the DART gas stream onto a substrate was developed. A filter paper or TLC plate, previously loaded with the analyte, was immersed in a derivatization solution. On this substrate, owing to the impact of the hot DART gas, reaction of the analyte to a colored product occurred. An improved capability of detection of DART-MS for the analysis of liquids was demonstrated by applying large volumes of model solutions of coumaphos into small glass vessels and drying these solutions prior to DART-MS analysis under ambient conditions. This allowed the introduction of, by up to more than two orders of magnitude, increased quantities of analyte compared with the conventional DART-MS analysis of liquids. Through this improved detectability, the capabilities of DART-MS in trace analysis could be strengthened. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Identification and semi-quantitative analysis of parabens and UV filters in cosmetic products by direct-analysis-in-real-time mass spectrometry and gas chromatography with mass spectrometric detection.\n \n \n \n \n\n\n \n Haunschmidt, M.; Buchberger, W.; Klampfl, C. W.; and Hertsens, R.\n\n\n \n\n\n\n Anal. Methods, 3(1): 99–104. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_identification_2011,\n\ttitle = {Identification and semi-quantitative analysis of parabens and {UV} filters in cosmetic products by direct-analysis-in-real-time mass spectrometry and gas chromatography with mass spectrometric detection},\n\tvolume = {3},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C0AY00588F},\n\tabstract = {A method based on direct-analysis-in-real-time mass spectrometry (DART-MS) for the qualitative and semi-quantitative analysis of eight organic UV filters and four parabens in twelve cosmetic products with substantially different formulations (as cream, milk, lotion, oil, lipstick) was developed. All tested substances could be identified unambiguously in the investigated samples without any sample pre-treatment. Direct analysis of cosmetic products allows semi-quantitative determination of parabens. For UV filters no satisfactory results were obtained by direct analysis but all analytes could be quantified by simply dissolving the samples in methanol, addition of an internal standard and subsequent measurement of the solution by DART-MS without further pre-treatment. The results obtained using DART-MS were confirmed by a more established method namely gas chromatography with mass spectrometric detection (GC-MS).},\n\tnumber = {1},\n\tjournal = {Anal. Methods},\n\tauthor = {Haunschmidt, Manuela and Buchberger, Wolfgang and Klampfl, Christian W. and Hertsens, Robert},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {99--104},\n}\n\n\n\n
\n
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\n A method based on direct-analysis-in-real-time mass spectrometry (DART-MS) for the qualitative and semi-quantitative analysis of eight organic UV filters and four parabens in twelve cosmetic products with substantially different formulations (as cream, milk, lotion, oil, lipstick) was developed. All tested substances could be identified unambiguously in the investigated samples without any sample pre-treatment. Direct analysis of cosmetic products allows semi-quantitative determination of parabens. For UV filters no satisfactory results were obtained by direct analysis but all analytes could be quantified by simply dissolving the samples in methanol, addition of an internal standard and subsequent measurement of the solution by DART-MS without further pre-treatment. The results obtained using DART-MS were confirmed by a more established method namely gas chromatography with mass spectrometric detection (GC-MS).\n
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\n \n\n \n \n \n \n \n \n Detection of illicit drugs on surfaces using direct analysis in real time (DART) time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Grange, A. H.; and Sovocool, G. W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(9): 1271–1281. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{grange_detection_2011,\n\ttitle = {Detection of illicit drugs on surfaces using direct analysis in real time ({DART}) time-of-flight mass spectrometry},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5009},\n\tdoi = {10.1002/rcm.5009},\n\tabstract = {Methamphetamine (meth) from meth syntheses or habitual meth smoking deposited on household surfaces poses human health hazards. The U.S. State Departments of Health require decontamination of sites where meth was synthesized (meth labs) before they are sold. National Institute for Occupational Safety and Health (NIOSH) methods for meth analysis require wipe sampling, extraction, clean-up, solvent exchange, derivatization, and/or mass spectral analysis using selected ion monitoring. Rapid and inexpensive analyses could screen for drug-contamination within structures with greater spatial resolution, provide real-time analyses during decontamination, and provide thorough documentation of successful clean ups. Herein an autosampler/open-air ion source time-of-flight mass spectrometric technique is described that required only direct sampling using cotton-swab wipes. Each wipe sample collection required 2 min and data acquisition required only 13 s per sample. Optimum collision-induced dissociation voltages, desorption gas temperatures, and wipe sample solvents were determined for 11 drugs. Peaks were observed in analyte-ion traces for 0.025 µg/100 cm2 of meth and seven other drugs. This level is half the detection limit of NIOSH methods and one-fourth of the lowest U.S. state decontamination limit for meth. Dynamic ranges of 100 in concentration were demonstrated for eight drugs, which is sufficient for a screening technique. The volatilities of 11 drugs deposited on glass were determined. The pick up of the drugs by solvent-soaked cotton-swab wipes from glass relative to acrylic latex paint was also compared. Published in 2011 by John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H. and Sovocool, G. Wayne},\n\tyear = {2011},\n\tpages = {1271--1281},\n}\n\n\n\n
\n
\n\n\n
\n Methamphetamine (meth) from meth syntheses or habitual meth smoking deposited on household surfaces poses human health hazards. The U.S. State Departments of Health require decontamination of sites where meth was synthesized (meth labs) before they are sold. National Institute for Occupational Safety and Health (NIOSH) methods for meth analysis require wipe sampling, extraction, clean-up, solvent exchange, derivatization, and/or mass spectral analysis using selected ion monitoring. Rapid and inexpensive analyses could screen for drug-contamination within structures with greater spatial resolution, provide real-time analyses during decontamination, and provide thorough documentation of successful clean ups. Herein an autosampler/open-air ion source time-of-flight mass spectrometric technique is described that required only direct sampling using cotton-swab wipes. Each wipe sample collection required 2 min and data acquisition required only 13 s per sample. Optimum collision-induced dissociation voltages, desorption gas temperatures, and wipe sample solvents were determined for 11 drugs. Peaks were observed in analyte-ion traces for 0.025 µg/100 cm2 of meth and seven other drugs. This level is half the detection limit of NIOSH methods and one-fourth of the lowest U.S. state decontamination limit for meth. Dynamic ranges of 100 in concentration were demonstrated for eight drugs, which is sufficient for a screening technique. The volatilities of 11 drugs deposited on glass were determined. The pick up of the drugs by solvent-soaked cotton-swab wipes from glass relative to acrylic latex paint was also compared. Published in 2011 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Direct Identification of Dyes in Textiles by Direct Analysis in Real Time-Time of Flight Mass Spectrometry.\n \n \n \n\n\n \n Deroo, C. S.; and Armitage, R. A.\n\n\n \n\n\n\n Analytical Chemistry, 83(18): 6924–6928. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{deroo_direct_2011,\n\ttitle = {Direct {Identification} of {Dyes} in {Textiles} by {Direct} {Analysis} in {Real} {Time}-{Time} of {Flight} {Mass} {Spectrometry}},\n\tvolume = {83},\n\tdoi = {10.1021/ac201747s},\n\tabstract = {We present here a method requiring no sample preparation for direct identification of the organic dye compounds quercetin, indigotin, and alizarin in reference materials, in solution, and also in situ in dyed fibers by use of direct analysis in real time (DART) ionization and high-resolution time-of-flight mass spectrometry. Exact mass determinations on small samples of dyed textiles were completed in less than 1 min. With the ability to identify flavonoid, indigoid, and anthraquinone classes of dyes, this technique shows early promise as an additional analytical tool in the challenging analysis of organic dyes in rare cultural heritage materials and possesses the unique advantages of sensitivity and simplicity without the preparatory procedures required by other methods.},\n\tnumber = {18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Deroo, Cathy Selvius and Armitage, Ruth Ann},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {6924--6928},\n}\n\n\n\n
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\n We present here a method requiring no sample preparation for direct identification of the organic dye compounds quercetin, indigotin, and alizarin in reference materials, in solution, and also in situ in dyed fibers by use of direct analysis in real time (DART) ionization and high-resolution time-of-flight mass spectrometry. Exact mass determinations on small samples of dyed textiles were completed in less than 1 min. With the ability to identify flavonoid, indigoid, and anthraquinone classes of dyes, this technique shows early promise as an additional analytical tool in the challenging analysis of organic dyes in rare cultural heritage materials and possesses the unique advantages of sensitivity and simplicity without the preparatory procedures required by other methods.\n
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\n \n\n \n \n \n \n \n \n Rapid screening for synthetic antidiabetic drug adulteration in herbal dietary supplements using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Zhou, Z.; Zhang, J.; Zhang, W.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analyst, 136(12): 2613–2618. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhou_rapid_2011,\n\ttitle = {Rapid screening for synthetic antidiabetic drug adulteration in herbal dietary supplements using direct analysis in real time mass spectrometry},\n\tvolume = {136},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C0AN01047B},\n\tabstract = {Adulteration of herbal supplements with synthetic drugs is illegal. A rapid and reliable method which utilizes direct analysis in real time mass spectrometry (DART-MS) was developed for the identification of seven synthetic antidiabetic drugs used as adulterants in herbal dietary supplements. The supplement sample was simply extracted with methanol/water by manually shaking several times and directly analyzed using DART-MS. The presence of synthetic drug adulterants was confirmed through the accurate m/z values and MS/MS data obtained via quadruple time of flight mass spectrometry (QTOF MS). Parameters for the DART source were systematically optimized, and the limits of detection (LODs) in herbal supplement matrices were measured. This method was successfully applied to examine five commercial herbal dietary supplements, and two of them proved to be adulterated with metformin without labeling.},\n\tnumber = {12},\n\tjournal = {Analyst},\n\tauthor = {Zhou, Zhigui and Zhang, Jialing and Zhang, Wei and Bai, Yu and Liu, Huwei},\n\tyear = {2011},\n\tpages = {2613--2618},\n}\n\n\n\n
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\n Adulteration of herbal supplements with synthetic drugs is illegal. A rapid and reliable method which utilizes direct analysis in real time mass spectrometry (DART-MS) was developed for the identification of seven synthetic antidiabetic drugs used as adulterants in herbal dietary supplements. The supplement sample was simply extracted with methanol/water by manually shaking several times and directly analyzed using DART-MS. The presence of synthetic drug adulterants was confirmed through the accurate m/z values and MS/MS data obtained via quadruple time of flight mass spectrometry (QTOF MS). Parameters for the DART source were systematically optimized, and the limits of detection (LODs) in herbal supplement matrices were measured. This method was successfully applied to examine five commercial herbal dietary supplements, and two of them proved to be adulterated with metformin without labeling.\n
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\n \n\n \n \n \n \n \n Utilizing DART Mass Spectrometry to Pinpoint Halogenated Metabolites from a Marine Invertebrate-Derived Fungus.\n \n \n \n\n\n \n Watts, K. R.; Loveridge, S. T.; Tenney, K.; Media, J.; Valeriote, F. A.; and Crews, P.\n\n\n \n\n\n\n Journal of Organic Chemistry, 76(15): 6201–6208. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{watts_utilizing_2011,\n\ttitle = {Utilizing {DART} {Mass} {Spectrometry} to {Pinpoint} {Halogenated} {Metabolites} from a {Marine} {Invertebrate}-{Derived} {Fungus}},\n\tvolume = {76},\n\tabstract = {Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using Direct Analysis in\nReal Time (DART) Mass Spectrometry, these compounds were initially detected from spores of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogs, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.},\n\tnumber = {15},\n\tjournal = {Journal of Organic Chemistry},\n\tauthor = {Watts, Katharine R. and Loveridge, Steven T. and Tenney, Karen and Media, Joseph and Valeriote, Frederick A. and Crews, Phillip},\n\tyear = {2011},\n\tpages = {6201--6208},\n}\n\n\n\n
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\n Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using Direct Analysis in Real Time (DART) Mass Spectrometry, these compounds were initially detected from spores of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogs, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Coupled to Multiplexed Drift Tube Ion Mobility Spectrometry for Detecting Toxic Chemicals.\n \n \n \n \n\n\n \n Harris, G. A.; Kwasnik, M.; and Fernández, F. M.\n\n\n \n\n\n\n Anal. Chem., 83(6): 1908–1915. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{harris_direct_2011,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Coupled} to {Multiplexed} {Drift} {Tube} {Ion} {Mobility} {Spectrometry} for {Detecting} {Toxic} {Chemicals}},\n\tvolume = {83},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac102246h},\n\tdoi = {10.1021/ac102246h},\n\tabstract = {Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95\\% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81\\% v/v for DMMP, 1.13\\% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28\\% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.\nCurrent and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95\\% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81\\% v/v for DMMP, 1.13\\% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28\\% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.},\n\tnumber = {6},\n\tjournal = {Anal. Chem.},\n\tauthor = {Harris, Glenn A. and Kwasnik, Mark and Fernández, Facundo M.},\n\tyear = {2011},\n\tpages = {1908--1915},\n}\n\n\n\n
\n
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\n Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81% v/v for DMMP, 1.13% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections. Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81% v/v for DMMP, 1.13% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.\n
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\n \n\n \n \n \n \n \n Structural Elucidation of Direct Analysis in Real Time Ionized Nerve Agent Simulants with Infrared Multiple Photon Dissociation Spectroscopy.\n \n \n \n\n\n \n Rummel, J. L.; Steill, J. D.; Oomens, J.; Contreras, C. S.; Pearson, W. L.; Szczepanski, J.; Powell, D. H.; and Eyler, J. R.\n\n\n \n\n\n\n Analytical Chemistry, 83(11): 4045–4052. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rummel_structural_2011,\n\ttitle = {Structural {Elucidation} of {Direct} {Analysis} in {Real} {Time} {Ionized} {Nerve} {Agent} {Simulants} with {Infrared} {Multiple} {Photon} {Dissociation} {Spectroscopy}},\n\tvolume = {83},\n\tdoi = {10.1021/ac102973a},\n\tabstract = {Infrared multiple photon dissociation (IRMPD) was used to generate vibrational spectra of ions produced with a direct analysis in real time (DART) ionization source coupled to a 4.7 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The location of protonation on the nerve agent simulants diisopropyl methylphosphonate (DIMP) and dimethyl methylphosphonate (DMMP) was studied while solutions of the compounds were introduced for extended periods of time with a syringe pump. Theoretical vibrational spectra were generated with density functional theory calculations. Visual comparison of experimental mid-IR IRMPD spectra and theoretical spectra could not establish definitively if a single structure or a mixture of conformations was present for the protonated parent of each compound. However, theoretical calculations, near-ir IRMPD spectra, and frequency-to-frequency and statistical comparisons indicated that the protonation site for both DIMP and DMMP was predominantly, if not exclusively, the phosphonyl oxygen instead of one of the oxygen atoms with only single bonds.},\n\tnumber = {11},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Rummel, Julia L. and Steill, Jeffrey D. and Oomens, Jos and Contreras, Cesar S. and Pearson, Wright L. and Szczepanski, Jan and Powell, David H. and Eyler, John R.},\n\tyear = {2011},\n\tkeywords = {DART, FT-ICR, nerve agents},\n\tpages = {4045--4052},\n}\n\n\n\n
\n
\n\n\n
\n Infrared multiple photon dissociation (IRMPD) was used to generate vibrational spectra of ions produced with a direct analysis in real time (DART) ionization source coupled to a 4.7 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The location of protonation on the nerve agent simulants diisopropyl methylphosphonate (DIMP) and dimethyl methylphosphonate (DMMP) was studied while solutions of the compounds were introduced for extended periods of time with a syringe pump. Theoretical vibrational spectra were generated with density functional theory calculations. Visual comparison of experimental mid-IR IRMPD spectra and theoretical spectra could not establish definitively if a single structure or a mixture of conformations was present for the protonated parent of each compound. However, theoretical calculations, near-ir IRMPD spectra, and frequency-to-frequency and statistical comparisons indicated that the protonation site for both DIMP and DMMP was predominantly, if not exclusively, the phosphonyl oxygen instead of one of the oxygen atoms with only single bonds.\n
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\n \n\n \n \n \n \n \n \n High-performance liquid chromatography coupled to direct analysis in real time mass spectrometry: Investigations on gradient elution and influence of complex matrices on signal intensities.\n \n \n \n \n\n\n \n Beißmann, S.; Buchberger, W.; Hertsens, R.; and Klampfl, C. W.\n\n\n \n\n\n\n Journal of Chromatography A, 1218(31): 5180–5186. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"High-performancePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{beismann_high-performance_2011,\n\ttitle = {High-performance liquid chromatography coupled to direct analysis in real time mass spectrometry: {Investigations} on gradient elution and influence of complex matrices on signal intensities},\n\tvolume = {1218},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967311007692},\n\tdoi = {10.1016/j.chroma.2011.05.092},\n\tnumber = {31},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Beißmann, Susanne and Buchberger, Wolfgang and Hertsens, Robert and Klampfl, Christian W.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time, HPLC, Hyphenated methods},\n\tpages = {5180--5186},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry employing a DART ion source for metabolomic fingerprinting/profiling: a powerful tool for beer origin recognition.\n \n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Metabolomics, 7(4): 500–508. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cajka_ambient_2011,\n\ttitle = {Ambient mass spectrometry employing a {DART} ion source for metabolomic fingerprinting/profiling: a powerful tool for beer origin recognition},\n\tvolume = {7},\n\tissn = {1573-3882},\n\turl = {http://dx.doi.org/10.1007/s11306-010-0266-z},\n\tdoi = {10.1007/s11306-010-0266-z},\n\tabstract = {A metabolomic fingerprinting/profiling generated by ambient mass spectrometry (MS) employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) was employed as a tool for beer origin recognition. In a first step, the DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in beer samples (direct measurement, no sample preparation). In the next step, metabolomic profiles (mass spectra) of a large set of different beer brands (Trappist and non-Trappist specialty beers) were acquired. In the final phase, the experimental data were analyzed using partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) with the aim of distinguishing (i) the beers labeled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. The best prediction ability was obtained for the model that distinguished the group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided ≥95\\% correct classification. The current study showed that DART–TOFMS metabolomic fingerprinting/profiling is a powerful analytical strategy enabling quality monitoring/authenticity assessment to be conducted in real time.},\n\tnumber = {4},\n\tjournal = {Metabolomics},\n\tauthor = {Cajka, Tomas and Riddellova, Katerina and Tomaniova, Monika and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {Beer; Authenticity; Traceability; Direct analysis in real time; Mass spectrometry; Multivariate analysis; Metabolomic fingerprinting/profiling; AccuTOF},\n\tpages = {500--508},\n}\n\n\n\n
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\n A metabolomic fingerprinting/profiling generated by ambient mass spectrometry (MS) employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) was employed as a tool for beer origin recognition. In a first step, the DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in beer samples (direct measurement, no sample preparation). In the next step, metabolomic profiles (mass spectra) of a large set of different beer brands (Trappist and non-Trappist specialty beers) were acquired. In the final phase, the experimental data were analyzed using partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) with the aim of distinguishing (i) the beers labeled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. The best prediction ability was obtained for the model that distinguished the group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided ≥95% correct classification. The current study showed that DART–TOFMS metabolomic fingerprinting/profiling is a powerful analytical strategy enabling quality monitoring/authenticity assessment to be conducted in real time.\n
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\n \n\n \n \n \n \n \n \n Ambient desorption ionization mass spectrometry (DART, DESI) and its bioanalytical applications.\n \n \n \n \n\n\n \n Morlock, G.\n\n\n \n\n\n\n Bioanalytical Reviews, 3(1): 1–9. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{morlock_ambient_2011,\n\ttitle = {Ambient desorption ionization mass spectrometry ({DART}, {DESI}) and its bioanalytical applications},\n\tvolume = {3},\n\tissn = {1867-2086},\n\turl = {http://dx.doi.org/10.1007/s12566-010-0019-5},\n\tdoi = {10.1007/s12566-010-0019-5},\n\tabstract = {In recent years, ambient desorption ionization techniques for mass spectrometry were introduced. Among them, the most established techniques are Direct Analysis in Real Time (DART) and Desorption Electrospray Ionization (DESI). Therefore, the current review focuses on the bioanalytical applications of ambient desorption ionization techniques by the example of DART and DESI mass spectrometry. The potential and also limitations of both ambient mass spectrometry (MS) techniques in such areas, as identification and quantitation of small molecules, coupling DART-MS and DESI-MS with planar chromatography, protein/peptide analysis, as well as molecular imaging applications, are discussed.},\n\tnumber = {1},\n\tjournal = {Bioanalytical Reviews},\n\tauthor = {Morlock, Gertrud},\n\tyear = {2011},\n\tkeywords = {Ambient mass spectrometry, Bioanalytical methods, Chemistry and Materials Science, Desorption electrospray ionization – DESI, Direct analysis in real time – DART, identification, quantitation},\n\tpages = {1--9},\n}\n\n\n\n
\n
\n\n\n
\n In recent years, ambient desorption ionization techniques for mass spectrometry were introduced. Among them, the most established techniques are Direct Analysis in Real Time (DART) and Desorption Electrospray Ionization (DESI). Therefore, the current review focuses on the bioanalytical applications of ambient desorption ionization techniques by the example of DART and DESI mass spectrometry. The potential and also limitations of both ambient mass spectrometry (MS) techniques in such areas, as identification and quantitation of small molecules, coupling DART-MS and DESI-MS with planar chromatography, protein/peptide analysis, as well as molecular imaging applications, are discussed.\n
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\n \n\n \n \n \n \n \n \n Practical considerations for the rapid screening for pesticides using ambient pressure desorption ionisation with high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Edison, S.; Lin, L.; and Parrales, L.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 28(10): 1393–1404. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PracticalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{edison_practical_2011,\n\ttitle = {Practical considerations for the rapid screening for pesticides using ambient pressure desorption ionisation with high-resolution mass spectrometry},\n\tvolume = {28},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2011.596165},\n\tdoi = {10.1080/19440049.2011.596165},\n\tabstract = {A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80\\% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.\nA rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80\\% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.},\n\tnumber = {10},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Edison, S.E. and Lin, L.A. and Parrales, L.},\n\tyear = {2011},\n\tpages = {1393--1404},\n}\n\n\n\n
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\n A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode. A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.\n
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\n \n\n \n \n \n \n \n Ambient ionization mass spectrometry: A tutorial.\n \n \n \n\n\n \n Huang, M.; Cheng, S.; Cho, Y.; and Shiea, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 702(1): 1–15. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{huang_ambient_2011,\n\ttitle = {Ambient ionization mass spectrometry: {A} tutorial},\n\tvolume = {702},\n\tabstract = {Ambient ionization is a set of mass spectrometric ionization techniques performed under ambient conditions that allows the direct analysis of sample surfaces with little or no sample pretreatment. Using combinations of different types of sample introduction systems and ionization methods, several novel techniques have been developed over the last few years with many applications (e.g., food safety screening; detection of pharmaceuticals and drug abuse; monitoring of environmental pollutants; detection of explosives for antiterrorism and forensics; characterization of biological compounds for proteomics and metabolomics; molecular imaging analysis; and monitoring chemical and biochemical reactions). Electrospray ionization and atmospheric pressure chemical ionization are the two main ionization principles most commonly used in ambient ionization mass spectrometry. This tutorial paper provides a review of the publications related to ambient ionization techniques. We describe and compare the underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques.},\n\tnumber = {1},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Huang, Min-Zong and Cheng, Sy-Chi and Cho, Yi-Tzu and Shiea, Jentaie},\n\tyear = {2011},\n\tkeywords = {review; Ambient; Desorption/ionization; Two-step ionization; Electrospray ionization; Atmospheric pressure chemical ionization},\n\tpages = {1--15},\n}\n\n\n\n
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\n Ambient ionization is a set of mass spectrometric ionization techniques performed under ambient conditions that allows the direct analysis of sample surfaces with little or no sample pretreatment. Using combinations of different types of sample introduction systems and ionization methods, several novel techniques have been developed over the last few years with many applications (e.g., food safety screening; detection of pharmaceuticals and drug abuse; monitoring of environmental pollutants; detection of explosives for antiterrorism and forensics; characterization of biological compounds for proteomics and metabolomics; molecular imaging analysis; and monitoring chemical and biochemical reactions). Electrospray ionization and atmospheric pressure chemical ionization are the two main ionization principles most commonly used in ambient ionization mass spectrometry. This tutorial paper provides a review of the publications related to ambient ionization techniques. We describe and compare the underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time coupled with dried spot sampling for bioanalysis in a drug-discovery setting.\n \n \n \n \n\n\n \n Crawford, E.; Gordon, J.; Wu, J.; Musselman, B.; Liu, R.; and Yu, S.\n\n\n \n\n\n\n Bioanalysis, 3(11): 1217–1226. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{crawford_direct_2011,\n\ttitle = {Direct analysis in real time coupled with dried spot sampling for bioanalysis in a drug-discovery setting},\n\tvolume = {3},\n\tissn = {1757-6180},\n\turl = {http://dx.doi.org/10.4155/bio.11.99},\n\tdoi = {10.4155/bio.11.99},\n\tabstract = {Background: Conventional mouse or rat pharmacokinetic/toxicokinetic (PK/TK) studies frequently require sacrifice or use of multiple animals for a full time-course in order to obtain adequate blood volume. Currently accepted LC–MS/MS analyses require tedious sample preparation and large blood volume, therefore, a bioanalytical method with a simpler blood-sampling procedure using fewer animals, lower sample volume and no additional sample preparation is desirable. Results: We have developed a method that combines the direct analysis in real time (DART) open-air ambient ionization source and MS/MS to directly analyze dried blood spots (DBS) on glass from low volume whole blood samples without additional sample preparation or manipulation of the spots. Single mouse serial bleeding was performed for sample collection for DART-MS/MS and the results were comparable to the conventional terminal bleeding method for LC–MS/MS. Conclusion: The DART-MS/MS method was applied to DBS sampling for PK/TK studies and also for in vitro screening of absorption, distribution, metabolism and excretion properties. The results from the DART-MS/MS approach correlated well with the LC–MS/MS analyses for comparison.},\n\tnumber = {11},\n\tjournal = {Bioanalysis},\n\tauthor = {Crawford, Elizabeth and Gordon, Justin and Wu, Jing-Tao and Musselman, Brian and Liu, Ray and Yu, Shaoxia},\n\tyear = {2011},\n\tpages = {1217--1226},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Background: Conventional mouse or rat pharmacokinetic/toxicokinetic (PK/TK) studies frequently require sacrifice or use of multiple animals for a full time-course in order to obtain adequate blood volume. Currently accepted LC–MS/MS analyses require tedious sample preparation and large blood volume, therefore, a bioanalytical method with a simpler blood-sampling procedure using fewer animals, lower sample volume and no additional sample preparation is desirable. Results: We have developed a method that combines the direct analysis in real time (DART) open-air ambient ionization source and MS/MS to directly analyze dried blood spots (DBS) on glass from low volume whole blood samples without additional sample preparation or manipulation of the spots. Single mouse serial bleeding was performed for sample collection for DART-MS/MS and the results were comparable to the conventional terminal bleeding method for LC–MS/MS. Conclusion: The DART-MS/MS method was applied to DBS sampling for PK/TK studies and also for in vitro screening of absorption, distribution, metabolism and excretion properties. The results from the DART-MS/MS approach correlated well with the LC–MS/MS analyses for comparison.\n
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\n \n\n \n \n \n \n \n \n Analysis of printing and writing papers by using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Adams, J.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 301(1–3): 109–126. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{adams_analysis_2011,\n\ttitle = {Analysis of printing and writing papers by using direct analysis in real time mass spectrometry},\n\tvolume = {301},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380610002617},\n\tdoi = {10.1016/j.ijms.2010.07.025},\n\tabstract = {A quick and direct method for identifying organic components of papers in library and archival collections with minimal destructive sampling is needed for preservation, forensic, and general purposes. Direct analysis in real time mass spectrometry (DART-MS) is used for characterizing 16 reference papers of known manufacture in terms of their pulp composition and pitch contaminants. Unique mass spectra are obtained from bleached kraft, chemithermomechanical, and stone groundwood pulp papers in real time without extractions, derivatizations, chromatographic separations, and other time- and chemical-consuming sample preparations. Phytosteroids are volatilized from bleached hardwood kraft but not from bleached softwood kraft papers, which differentiates the two of them. The kraft papers are in turn differentiated from chemithermomechanical pulp papers by lignin-derived thermolyis products: syringyl products arise from hardwood, but guaiacyl and coumaryl products arise from softwood, chemithermomechanical pulp papers. Stone groundwood papers contain a number of extractives that are volatilized, which serve to differentiate them from all the other papers. Papers that contain rosin vs. alkyl ketene dimer (AKD) sizings are immediately differentiated. The DART-MS methodology is fast and simple, and the spectra are repeatable. Microsamples as small as ∼10\\&\\#xa0;μg tweezed from the paper surface may be analyzed. These benchmark spectra are the prelude to further applications of DART-MS in paper research and the beginning of the development of a searchable library of DART-MS spectra of printing and writing papers by the Library of Congress.},\n\tnumber = {1–3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Adams, Jeanette},\n\tyear = {2011},\n\tkeywords = {AccuTOF, DART, Direct analysis in real time, Extractives, Lignin, Paper, Pulp},\n\tpages = {109--126},\n}\n\n\n\n
\n
\n\n\n
\n A quick and direct method for identifying organic components of papers in library and archival collections with minimal destructive sampling is needed for preservation, forensic, and general purposes. Direct analysis in real time mass spectrometry (DART-MS) is used for characterizing 16 reference papers of known manufacture in terms of their pulp composition and pitch contaminants. Unique mass spectra are obtained from bleached kraft, chemithermomechanical, and stone groundwood pulp papers in real time without extractions, derivatizations, chromatographic separations, and other time- and chemical-consuming sample preparations. Phytosteroids are volatilized from bleached hardwood kraft but not from bleached softwood kraft papers, which differentiates the two of them. The kraft papers are in turn differentiated from chemithermomechanical pulp papers by lignin-derived thermolyis products: syringyl products arise from hardwood, but guaiacyl and coumaryl products arise from softwood, chemithermomechanical pulp papers. Stone groundwood papers contain a number of extractives that are volatilized, which serve to differentiate them from all the other papers. Papers that contain rosin vs. alkyl ketene dimer (AKD) sizings are immediately differentiated. The DART-MS methodology is fast and simple, and the spectra are repeatable. Microsamples as small as ∼10 μg tweezed from the paper surface may be analyzed. These benchmark spectra are the prelude to further applications of DART-MS in paper research and the beginning of the development of a searchable library of DART-MS spectra of printing and writing papers by the Library of Congress.\n
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\n \n\n \n \n \n \n \n \n Thin Layer Chromatography/Plasma Assisted Multiwavelength Laser Desorption Ionization Mass Spectrometry for Facile Separation and Selective Identification of Low Molecular Weight Compounds.\n \n \n \n \n\n\n \n Zhang, J.; Zhou, Z.; Yang, J.; Zhang, W.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Anal. Chem., 84(3): 1496–1503. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ThinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zhang_thin_2011,\n\ttitle = {Thin {Layer} {Chromatography}/{Plasma} {Assisted} {Multiwavelength} {Laser} {Desorption} {Ionization} {Mass} {Spectrometry} for {Facile} {Separation} and {Selective} {Identification} of {Low} {Molecular} {Weight} {Compounds}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac202732y},\n\tdoi = {10.1021/ac202732y},\n\tabstract = {A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.\nA novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.},\n\tnumber = {3},\n\tjournal = {Anal. Chem.},\n\tauthor = {Zhang, Jialing and Zhou, Zhigui and Yang, Jianwang and Zhang, Wei and Bai, Yu and Liu, Huwei},\n\tyear = {2011},\n\tkeywords = {DART, LDI, laser desorption, TLC},\n\tpages = {1496--1503},\n}\n\n\n\n
\n
\n\n\n
\n A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2. A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.\n
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\n \n\n \n \n \n \n \n Study on rapid and direct analysis of illegally added six PDE5 inhibitors in health food by DART-MS/MS method.\n \n \n \n\n\n \n CHENG, Xian-lon; LI ,Wen-jie; LI, Wei-jian; XIAO, Xin-yue; LIN, Rui-chao; and WEI, Feng\n\n\n \n\n\n\n Chinese Journal of Pharmaceutical Analysis, 31: 438–442. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cheng_xian-lon_study_2011,\n\ttitle = {Study on rapid and direct analysis of illegally added six {PDE5} inhibitors in health food by {DART}-{MS}/{MS} method},\n\tvolume = {31},\n\tdoi = {CNKI:SUN:YWFX.0.2011-03-005},\n\tabstract = {To develop a directed analysis of 6 phosphodiesterase 5(PDE5)inhibitors:sildenafil,tadalafil,acetildenafil,hydroxyhomosildenafil,aminotadalafil,pseudo-vardenfil in health food.Methods:Triple quadrupol MS with DART ion souce was used to perform the direct analysis.The DART sampler delivery rate was 0.2 mm·s-1.The temperature of carry gas of DART was 450 ℃.The capillary voltage was kept at 4 kV.The temperature of the drying gas of triple quadrupol MS was set at 350 ℃.The flow rate of the drying gas of triple quadrupol MS was set at 10 L·min-1,respectively.Product ion scan mode was used with scan range from 50-550 amu.The precursor ions were set as m/z 475.1(sildenafil),m/z 467.2(acetildenafil),m/z 505.1(hydroxyhomosildenafil),m/z 390.1(tadalafil),m/z 391.2(aminotadalafil),m/z 460.3(pseudo-vardenfil).The identification was performed by comparing the mass spectrum of detected peak in samples with the mass spectrum of peak in reference substance.Results:The limit of detection for each of 6 PDE5 inhibitors was under 1 μg·g-1.Sildenafil was detected in 6 samples,and tadalafil was detected in 1 sample.Conclusion:The method is employed to simultaneous detection of 6 PDE5 inhibitors in health food.},\n\tjournal = {Chinese Journal of Pharmaceutical Analysis},\n\tauthor = {{CHENG, Xian-lon} and {LI ,Wen-jie} and {LI, Wei-jian} and {XIAO, Xin-yue} and {LIN, Rui-chao} and {WEI, Feng}},\n\tyear = {2011},\n\tpages = {438--442},\n}\n\n\n\n
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\n To develop a directed analysis of 6 phosphodiesterase 5(PDE5)inhibitors:sildenafil,tadalafil,acetildenafil,hydroxyhomosildenafil,aminotadalafil,pseudo-vardenfil in health food.Methods:Triple quadrupol MS with DART ion souce was used to perform the direct analysis.The DART sampler delivery rate was 0.2 mm·s-1.The temperature of carry gas of DART was 450 ℃.The capillary voltage was kept at 4 kV.The temperature of the drying gas of triple quadrupol MS was set at 350 ℃.The flow rate of the drying gas of triple quadrupol MS was set at 10 L·min-1,respectively.Product ion scan mode was used with scan range from 50-550 amu.The precursor ions were set as m/z 475.1(sildenafil),m/z 467.2(acetildenafil),m/z 505.1(hydroxyhomosildenafil),m/z 390.1(tadalafil),m/z 391.2(aminotadalafil),m/z 460.3(pseudo-vardenfil).The identification was performed by comparing the mass spectrum of detected peak in samples with the mass spectrum of peak in reference substance.Results:The limit of detection for each of 6 PDE5 inhibitors was under 1 μg·g-1.Sildenafil was detected in 6 samples,and tadalafil was detected in 1 sample.Conclusion:The method is employed to simultaneous detection of 6 PDE5 inhibitors in health food.\n
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\n \n\n \n \n \n \n \n Comparison of dielectric barrier discharge, atmospheric pressure radiofrequency-driven glow discharge and direct analysis in real time sources for ambient mass spectrometry of acetaminophen.\n \n \n \n\n\n \n Kratzera, J.; Mester, Z.; and Sturgeon, R. E.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 66(8): 594–603. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kratzera_comparison_2011,\n\ttitle = {Comparison of dielectric barrier discharge, atmospheric pressure radiofrequency-driven glow discharge and direct analysis in real time sources for ambient mass spectrometry of acetaminophen},\n\tvolume = {66},\n\tabstract = {Three plasma-based ambient pressure ion sources were investigated; laboratory constructed dielectric barrier and rf glow discharges, as well as a commercial corona discharge (DART source). All were used to desorb and ionize a model analyte, providing sampling techniques for ambient mass spectrometry (MS). Experimental parameters were optimized to achive highest signal for acetaminophen as the analyte. Insight into the mechanisms of analyte desorption and ionization was obtained by means of emission spectrometry and ion current measurements. Desorption and ionization mechanisms for this analyte appear to be identical for all three plasma sources. Emission spectra differ only in the intensities of various lines and bands. Desorption of solid analyte requires transfer of thermal energy from the plasma source to sample surface, in the absence of which complete loss of MS response occurs. For acetaminophen, helium was the best plasma gas, providing 100- to 1000-fold higher analyte response than with argon or nitrogen. The same trend was also evident with background ions (protonated water clusters). MS analyte signal intensity correlates with the ion density (expressed as ion current) in the plasma plume and with emission intensity from excited state species in the plasma. These observations support an ionization process which occurs via proton transfer from protonated water clusters to analyte molecules.},\n\tnumber = {8},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {Kratzera, Jan and Mester, Zoltán and Sturgeon, Ralph E.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time (DART); Dielectric barrier discharge (DBD); Atmospheric pressure rf glow discharge (APGD); Ambient mass spectrometry (AMS); Acetaminophen},\n\tpages = {594--603},\n}\n\n\n\n
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\n Three plasma-based ambient pressure ion sources were investigated; laboratory constructed dielectric barrier and rf glow discharges, as well as a commercial corona discharge (DART source). All were used to desorb and ionize a model analyte, providing sampling techniques for ambient mass spectrometry (MS). Experimental parameters were optimized to achive highest signal for acetaminophen as the analyte. Insight into the mechanisms of analyte desorption and ionization was obtained by means of emission spectrometry and ion current measurements. Desorption and ionization mechanisms for this analyte appear to be identical for all three plasma sources. Emission spectra differ only in the intensities of various lines and bands. Desorption of solid analyte requires transfer of thermal energy from the plasma source to sample surface, in the absence of which complete loss of MS response occurs. For acetaminophen, helium was the best plasma gas, providing 100- to 1000-fold higher analyte response than with argon or nitrogen. The same trend was also evident with background ions (protonated water clusters). MS analyte signal intensity correlates with the ion density (expressed as ion current) in the plasma plume and with emission intensity from excited state species in the plasma. These observations support an ionization process which occurs via proton transfer from protonated water clusters to analyte molecules.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry and its applications in chemical analysis.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Morlock, G. E.; and Revelsky, I. A.\n\n\n \n\n\n\n Russian Chemical Reviews, 80(3): 235. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{chernetsova_dart_2011,\n\ttitle = {{DART} mass spectrometry and its applications in chemical analysis},\n\tvolume = {80},\n\turl = {http://stacks.iop.org/0036-021X/80/i=3/a=R03},\n\tabstract = {Published data on the fundamental and applied aspects of DART mass spectrometry are surveyed. The DART ionization principles and the key parameters affecting the analytical characteristics of the method and the mass spectra of the determined compounds are considered. The advantages and drawbacks of DART mass spectrometry are discussed and the existing and prospective applications are outlined.},\n\tnumber = {3},\n\tjournal = {Russian Chemical Reviews},\n\tauthor = {Chernetsova, Elena S. and Morlock, G. E. and Revelsky, Igor A.},\n\tyear = {2011},\n\tkeywords = {review},\n\tpages = {235},\n}\n\n\n\n
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\n Published data on the fundamental and applied aspects of DART mass spectrometry are surveyed. The DART ionization principles and the key parameters affecting the analytical characteristics of the method and the mass spectra of the determined compounds are considered. The advantages and drawbacks of DART mass spectrometry are discussed and the existing and prospective applications are outlined.\n
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\n \n\n \n \n \n \n \n \n Simplified and rapid determination of polychlorinated biphenyls, polybrominated diphenyl ethers, and polycyclic aromatic hydrocarbons in fish and shrimps integrated into a single method.\n \n \n \n \n\n\n \n Kalachova, K.; Pulkrabova, J.; Drabova, L.; Cajka, T.; Kocourek, V.; and Hajslova, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 707(1–2): 84–91. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SimplifiedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{kalachova_simplified_2011,\n\ttitle = {Simplified and rapid determination of polychlorinated biphenyls, polybrominated diphenyl ethers, and polycyclic aromatic hydrocarbons in fish and shrimps integrated into a single method},\n\tvolume = {707},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267011012347},\n\tdoi = {10.1016/j.aca.2011.09.016},\n\tabstract = {In this study, a new rapid and flexible method for the simultaneous determination of 18 key representatives of polychlorinated biphenyls (PCBs), 7 polybrominated diphenyl ethers (PBDEs), and 32 polycyclic aromatic hydrocarbons (PAHs) in fish and shrimps by gas chromatography coupled to mass spectrometry (GC–MS) was developed and validated. A substantial simplification of sample processing prior to quantification step was achieved: after addition of water to homogenized sample, transfer of hydrophobic analytes into ethyl acetate was supported by added inorganic salts. Bulk fat, contained in crude organic extract obtained by partition, was subsequently removed on a silica minicolumn. This approach enabled to process six samples in less than 1\\&\\#xa0;h; moreover, the volume of an extraction solvent and consumption of other chemicals can be significantly reduced compared to, e.g., traditional Soxhlet extraction followed by gel permeation chromatography. The recoveries of target analytes were in the range of 73–120\\% even at the lowest spiking level (1\\&\\#xa0;μg\\&\\#xa0;kg−1), repeatabilities (relative standard deviations, RSDs) ranged from 1 to 20\\%. Under optimized GC–MS conditions (time-of-flight mass analyzer, TOF), the limits of quantification (LOQs) were as follows: PCBs 0.1–0.5\\&\\#xa0;μg\\&\\#xa0;kg−1, PBDEs 0.5\\&\\#xa0;μg\\&\\#xa0;kg−1, and PAHs 0.05–0.25\\&\\#xa0;μg\\&\\#xa0;kg−1. Ambient mass spectrometry employing a direct analysis in real time (DART) ion source was shown as an effective tool for fat control in extract, which is needed during the method development and examination of unknown samples prior to the analysis. Further extension of a method scope by other similar analytes is easily possible.},\n\tnumber = {1–2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Kalachova, Kamila and Pulkrabova, Jana and Drabova, Lucie and Cajka, Tomas and Kocourek, Vladimir and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {DART, Fish, Fish; Shrimps; PCB; PBDE; PAH; GC–TOFMS; DART; AccuTOF, GC–TOFMS, PAH, PBDE, PCB, Shrimps},\n\tpages = {84--91},\n}\n\n\n\n
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\n In this study, a new rapid and flexible method for the simultaneous determination of 18 key representatives of polychlorinated biphenyls (PCBs), 7 polybrominated diphenyl ethers (PBDEs), and 32 polycyclic aromatic hydrocarbons (PAHs) in fish and shrimps by gas chromatography coupled to mass spectrometry (GC–MS) was developed and validated. A substantial simplification of sample processing prior to quantification step was achieved: after addition of water to homogenized sample, transfer of hydrophobic analytes into ethyl acetate was supported by added inorganic salts. Bulk fat, contained in crude organic extract obtained by partition, was subsequently removed on a silica minicolumn. This approach enabled to process six samples in less than 1 h; moreover, the volume of an extraction solvent and consumption of other chemicals can be significantly reduced compared to, e.g., traditional Soxhlet extraction followed by gel permeation chromatography. The recoveries of target analytes were in the range of 73–120% even at the lowest spiking level (1 μg kg−1), repeatabilities (relative standard deviations, RSDs) ranged from 1 to 20%. Under optimized GC–MS conditions (time-of-flight mass analyzer, TOF), the limits of quantification (LOQs) were as follows: PCBs 0.1–0.5 μg kg−1, PBDEs 0.5 μg kg−1, and PAHs 0.05–0.25 μg kg−1. Ambient mass spectrometry employing a direct analysis in real time (DART) ion source was shown as an effective tool for fat control in extract, which is needed during the method development and examination of unknown samples prior to the analysis. Further extension of a method scope by other similar analytes is easily possible.\n
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\n \n\n \n \n \n \n \n \n Validation of Thin Layer Chromatography with AccuTOF-DART™ Detection for Forensic Drug Analysis*.\n \n \n \n \n\n\n \n Howlett, S. E.; and Steiner, R. R.\n\n\n \n\n\n\n Journal of Forensic Sciences, 56(5): 1261–1267. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{howlett_validation_2011,\n\ttitle = {Validation of {Thin} {Layer} {Chromatography} with {AccuTOF}-{DART}™ {Detection} for {Forensic} {Drug} {Analysis}*},\n\tvolume = {56},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2011.01881.x},\n\tdoi = {10.1111/j.1556-4029.2011.01881.x},\n\tabstract = {Abstract:  Thin layer chromatography (TLC) is a technique that is commonly employed in the forensic drug analysis of pharmaceutical preparations. Detection is typically accomplished using various visualization spray reagents. Conventional gas chromatography–mass spectrometry (GC-MS) analysis is typically performed to confirm the TLC results. Depending on the drugs tested and the instrument conditions required, this confirmation can take up to an hour to complete. Direct analysis in real time (DART™) is an ionization source, coupled to an accurate-mass time-of-flight mass spectrometer that has the capability to ionize materials under ambient conditions. To streamline analysis, the combination of TLC with DART™ detection is proposed to screen and subsequently identify drug compounds, all from the same TLC plate. DART™ confirmations of TLC analyses take {\\textless}10 min to complete and compare favorably to GC-MS in sensitivity and selectivity. This study validates the use of TLC-DART in the forensic identification of the components of several pharmaceutical preparations.},\n\tnumber = {5},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Howlett, Susanne E. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time, controlled substances, forensic science, forensic science; controlled substances; thin layer chromatography; direct analysis in real time; mass spectrometry; time of flight; AccuTOF, mass spectrometry, thin layer chromatography, time of flight},\n\tpages = {1261--1267},\n}\n\n\n\n
\n
\n\n\n
\n Abstract:  Thin layer chromatography (TLC) is a technique that is commonly employed in the forensic drug analysis of pharmaceutical preparations. Detection is typically accomplished using various visualization spray reagents. Conventional gas chromatography–mass spectrometry (GC-MS) analysis is typically performed to confirm the TLC results. Depending on the drugs tested and the instrument conditions required, this confirmation can take up to an hour to complete. Direct analysis in real time (DART™) is an ionization source, coupled to an accurate-mass time-of-flight mass spectrometer that has the capability to ionize materials under ambient conditions. To streamline analysis, the combination of TLC with DART™ detection is proposed to screen and subsequently identify drug compounds, all from the same TLC plate. DART™ confirmations of TLC analyses take \\textless10 min to complete and compare favorably to GC-MS in sensitivity and selectivity. This study validates the use of TLC-DART in the forensic identification of the components of several pharmaceutical preparations.\n
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\n \n\n \n \n \n \n \n \n Current mass spectrometry strategies for the analysis of pesticides and their metabolites in food and water matrices.\n \n \n \n \n\n\n \n Botitsi, H. V.; Garbis, S. D.; Economou, A.; and Tsipi, D. F.\n\n\n \n\n\n\n Mass Spectrometry Reviews, 30(5): 907–939. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"CurrentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{botitsi_current_2011,\n\ttitle = {Current mass spectrometry strategies for the analysis of pesticides and their metabolites in food and water matrices},\n\tvolume = {30},\n\tissn = {1098-2787},\n\turl = {http://dx.doi.org/10.1002/mas.20307},\n\tdoi = {10.1002/mas.20307},\n\tabstract = {Analysis of pesticides and their metabolites in food and water matrices continues to be an active research area closely related to food safety and environmental issues. This review discusses the most widely applied mass spectrometric (MS) approaches to pesticide residues analysis over the last few years. The main techniques for sample preparation remain solvent extraction and solid-phase extraction. The QuEChERS (Quick, Easy, Cheap, Effective, Rugged, Safe) approach is being increasingly used for the development of multi-class pesticide residues methods in various sample matrices. MS detectors—triple quadrupole (QqQ), ion-trap (IT), quadrupole linear ion trap (QqLIT), time-of-flight (TOF), and quadrupole time-of-flight (QqTOF)—have been established as powerful analytical tools sharing a primary role in the detection/quantification and/or identification/confirmation of pesticides and their metabolites. Recent developments in analytical instrumentation have enabled coupling of ultra-performance liquid chromatography (UPLC) and fast gas chromatography (GC) with MS detectors, and faster analysis for a greater number of pesticides. The newly developed “ambient-ionization” MS techniques (e.g., desorption electrospray ionization, DESI, and direct analysis in real time, DART) hyphenated with high-resolution MS platforms without liquid chromatography separation, and sometimes with minimum pre-treatment, have shown potential for pesticide residue screening. The recently introduced Orbitrap mass spectrometers can provide high resolving power and mass accuracy, to tackle complex analytical problems involved in pesticide residue analysis. © 2010 Wiley Periodicals, Inc., Mass Spec Rev 30:907–939, 2011},\n\tnumber = {5},\n\tjournal = {Mass Spectrometry Reviews},\n\tauthor = {Botitsi, Helen V. and Garbis, Spiros D. and Economou, Anastasios and Tsipi, Despina F.},\n\tyear = {2011},\n\tkeywords = {food and water, liquid and gas chromatography, mass spectrometry, pesticides},\n\tpages = {907--939},\n}\n\n\n\n
\n
\n\n\n
\n Analysis of pesticides and their metabolites in food and water matrices continues to be an active research area closely related to food safety and environmental issues. This review discusses the most widely applied mass spectrometric (MS) approaches to pesticide residues analysis over the last few years. The main techniques for sample preparation remain solvent extraction and solid-phase extraction. The QuEChERS (Quick, Easy, Cheap, Effective, Rugged, Safe) approach is being increasingly used for the development of multi-class pesticide residues methods in various sample matrices. MS detectors—triple quadrupole (QqQ), ion-trap (IT), quadrupole linear ion trap (QqLIT), time-of-flight (TOF), and quadrupole time-of-flight (QqTOF)—have been established as powerful analytical tools sharing a primary role in the detection/quantification and/or identification/confirmation of pesticides and their metabolites. Recent developments in analytical instrumentation have enabled coupling of ultra-performance liquid chromatography (UPLC) and fast gas chromatography (GC) with MS detectors, and faster analysis for a greater number of pesticides. The newly developed “ambient-ionization” MS techniques (e.g., desorption electrospray ionization, DESI, and direct analysis in real time, DART) hyphenated with high-resolution MS platforms without liquid chromatography separation, and sometimes with minimum pre-treatment, have shown potential for pesticide residue screening. The recently introduced Orbitrap mass spectrometers can provide high resolving power and mass accuracy, to tackle complex analytical problems involved in pesticide residue analysis. © 2010 Wiley Periodicals, Inc., Mass Spec Rev 30:907–939, 2011\n
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\n \n\n \n \n \n \n \n \n Authentication of Animal Fats Using Direct Analysis in Real Time (DART) Ionization−Mass Spectrometry and Chemometric Tools.\n \n \n \n \n\n\n \n Vaclavik, L.; Hrbek, V.; Cajka, T.; Rohlik, B.; Pipek, P.; and Hajslova, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(11): 5919–5926. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AuthenticationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_authentication_2011,\n\ttitle = {Authentication of {Animal} {Fats} {Using} {Direct} {Analysis} in {Real} {Time} ({DART}) {Ionization}−{Mass} {Spectrometry} and {Chemometric} {Tools}},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf200734x},\n\tdoi = {10.1021/jf200734x},\n\tabstract = {A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10\\% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10\\% pork added to beef and vice versa was possible.\nA combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10\\% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10\\% pork added to beef and vice versa was possible.},\n\tnumber = {11},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Vaclavik, Lukas and Hrbek, Vojtech and Cajka, Tomas and Rohlik, Bo-Anne and Pipek, Petr and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {animal fat; meat; adulteration; direct analysis in real time; mass spectrometry; multivariate analysis; AccuTOF},\n\tpages = {5919--5926},\n}\n\n\n\n
\n
\n\n\n
\n A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10% pork added to beef and vice versa was possible. A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10% pork added to beef and vice versa was possible.\n
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\n \n\n \n \n \n \n \n \n Purification of pharmaceutical preparations using thin-layer chromatography to obtain mass spectra with Direct Analysis in Real Time and accurate mass spectrometry.\n \n \n \n \n\n\n \n Wood, J. L.; and Steiner, R. R.\n\n\n \n\n\n\n Drug Testing and Analysis, 3(6): 345–351. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PurificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wood_purification_2011,\n\ttitle = {Purification of pharmaceutical preparations using thin-layer chromatography to obtain mass spectra with {Direct} {Analysis} in {Real} {Time} and accurate mass spectrometry},\n\tvolume = {3},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.293},\n\tdoi = {10.1002/dta.293},\n\tabstract = {Forensic analysis of pharmaceutical preparations requires a comparative analysis with a standard of the suspected drug in order to identify the active ingredient. Purchasing analytical standards can be expensive or unattainable from the drug manufacturers. Direct Analysis in Real Time (DART™) is a novel, ambient ionization technique, typically coupled with a JEOL AccuTOF™ (accurate mass) mass spectrometer. While a fast and easy technique to perform, a drawback of using DART™ is the lack of component separation of mixtures prior to ionization. Various in-house pharmaceutical preparations were purified using thin-layer chromatography (TLC) and mass spectra were subsequently obtained using the AccuTOF™- DART™ technique. Utilizing TLC prior to sample introduction provides a simple, low-cost solution to acquiring mass spectra of the purified preparation. Each spectrum was compared against an in-house molecular formula list to confirm the accurate mass elemental compositions. Spectra of purified ingredients of known pharmaceuticals were added to an in-house library for use as comparators for casework samples. Resolving isomers from one another can be accomplished using collision-induced dissociation after ionization. Challenges arose when the pharmaceutical preparation required an optimized TLC solvent to achieve proper separation and purity of the standard. Purified spectra were obtained for 91 preparations and included in an in-house drug standard library. Primary standards would only need to be purchased when pharmaceutical preparations not previously encountered are submitted for comparative analysis. TLC prior to DART™ analysis demonstrates a time efficient and cost saving technique for the forensic drug analysis community. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {6},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Wood, Jessica L. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Direct analysis in real time, forensic science, pharmaceutical preparations, thin-layer chromatography, time of flight},\n\tpages = {345--351},\n}\n\n\n\n
\n
\n\n\n
\n Forensic analysis of pharmaceutical preparations requires a comparative analysis with a standard of the suspected drug in order to identify the active ingredient. Purchasing analytical standards can be expensive or unattainable from the drug manufacturers. Direct Analysis in Real Time (DART™) is a novel, ambient ionization technique, typically coupled with a JEOL AccuTOF™ (accurate mass) mass spectrometer. While a fast and easy technique to perform, a drawback of using DART™ is the lack of component separation of mixtures prior to ionization. Various in-house pharmaceutical preparations were purified using thin-layer chromatography (TLC) and mass spectra were subsequently obtained using the AccuTOF™- DART™ technique. Utilizing TLC prior to sample introduction provides a simple, low-cost solution to acquiring mass spectra of the purified preparation. Each spectrum was compared against an in-house molecular formula list to confirm the accurate mass elemental compositions. Spectra of purified ingredients of known pharmaceuticals were added to an in-house library for use as comparators for casework samples. Resolving isomers from one another can be accomplished using collision-induced dissociation after ionization. Challenges arose when the pharmaceutical preparation required an optimized TLC solvent to achieve proper separation and purity of the standard. Purified spectra were obtained for 91 preparations and included in an in-house drug standard library. Primary standards would only need to be purchased when pharmaceutical preparations not previously encountered are submitted for comparative analysis. TLC prior to DART™ analysis demonstrates a time efficient and cost saving technique for the forensic drug analysis community. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Clafication of the composition of [M+18] ions in DART mass spectra of polyethylene glycol using high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E.; Ovcharov, M.; Zatonskii, G.; Abramovich, R.; and Revelskii, I.\n\n\n \n\n\n\n Journal of Analytical Chemistry, 66(13): 1348–1351. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ClaficationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_clafication_2011,\n\ttitle = {Clafication of the composition of [{M}+18] ions in {DART} mass spectra of polyethylene glycol using high-resolution mass spectrometry},\n\tvolume = {66},\n\tissn = {1061-9348},\n\turl = {http://dx.doi.org/10.1134/S1061934811130016},\n\tabstract = {10.1134/S1061934811130016},\n\tnumber = {13},\n\tjournal = {Journal of Analytical Chemistry},\n\tauthor = {Chernetsova, E. and Ovcharov, M. and Zatonskii, G. and Abramovich, R. and Revelskii, I.},\n\tyear = {2011},\n\tpages = {1348--1351},\n}\n\n\n\n
\n
\n\n\n
\n 10.1134/S1061934811130016\n
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\n \n\n \n \n \n \n \n \n Surface swabbing technique for the rapid screening for pesticides using ambient pressure desorption ionization with high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Edison, S. E.; Lin, L. A.; Gamble, B. M.; Wong, J.; and Zhang, K.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(1): 127–139. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SurfacePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{edison_surface_2011,\n\ttitle = {Surface swabbing technique for the rapid screening for pesticides using ambient pressure desorption ionization with high-resolution mass spectrometry},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4831},\n\tdoi = {10.1002/rcm.4831},\n\tabstract = {A rapid screening method for pesticides has been developed to promote more efficient processing of produce entering the United States. Foam swabs were used to recover a multiclass mixture of 132 pesticides from the surfaces of grapes, apples, and oranges. The swabs were analyzed using direct analysis in real time (DART) ionization coupled with a high-resolution Exactive Orbitrap™ mass spectrometer. By using a DART helium temperature gradient from 100–350°C over 3 min, a minimal separation of analytes based on volatility differences was achieved. This, combined with the Exactive's mass resolution of 100 000, allowed the chromatographic step, along with the typical compositing and extraction steps associated with gas chromatography/mass spectrometry (GC/MS) or liquid chromatography/mass spectrometry (LC/MS) approaches, to be eliminated. Detection of 86\\% of the analytes present was consistently achieved at levels of 2 ng/g (per each apple or orange) and 10 ng/g (per grape). A resolution study was conducted with four pairs of isobaric compounds analyzed at a mass resolution of 100 000. Baseline separation was achieved with analyte ions differing in mass by 25 ppm and analyte ions with a mass difference of 10 ppm were partially resolved. In addition, field samples that had undergone traditional sample preparation using QuEChERS (quick, easy, cheap, rugged, and safe) were analyzed using both LC/MS and DART-MS and the results from the two techniques were found to be comparable in terms of identification of the pesticides present. The use of swabs greatly increased sample throughput by reducing sample preparation and analysis time. Published in 2010 by John Wiley \\& Sons, Ltd.},\n\tnumber = {1},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Edison, Sara. E. and Lin, Lora A. and Gamble, Bryan M. and Wong, Jon and Zhang, Kai},\n\tyear = {2011},\n\tkeywords = {Orbitrap},\n\tpages = {127--139},\n}\n\n\n\n
\n
\n\n\n
\n A rapid screening method for pesticides has been developed to promote more efficient processing of produce entering the United States. Foam swabs were used to recover a multiclass mixture of 132 pesticides from the surfaces of grapes, apples, and oranges. The swabs were analyzed using direct analysis in real time (DART) ionization coupled with a high-resolution Exactive Orbitrap™ mass spectrometer. By using a DART helium temperature gradient from 100–350°C over 3 min, a minimal separation of analytes based on volatility differences was achieved. This, combined with the Exactive's mass resolution of 100 000, allowed the chromatographic step, along with the typical compositing and extraction steps associated with gas chromatography/mass spectrometry (GC/MS) or liquid chromatography/mass spectrometry (LC/MS) approaches, to be eliminated. Detection of 86% of the analytes present was consistently achieved at levels of 2 ng/g (per each apple or orange) and 10 ng/g (per grape). A resolution study was conducted with four pairs of isobaric compounds analyzed at a mass resolution of 100 000. Baseline separation was achieved with analyte ions differing in mass by 25 ppm and analyte ions with a mass difference of 10 ppm were partially resolved. In addition, field samples that had undergone traditional sample preparation using QuEChERS (quick, easy, cheap, rugged, and safe) were analyzed using both LC/MS and DART-MS and the results from the two techniques were found to be comparable in terms of identification of the pesticides present. The use of swabs greatly increased sample throughput by reducing sample preparation and analysis time. Published in 2010 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Versatile Method for the Detection of Covalently Bound Substrates on Solid Supports by DART Mass Spectrometry.\n \n \n \n \n\n\n \n Sanchez, L. M.; Curtis, M. E.; Bracamonte, B. E.; Kurita, K. L.; Navarro, G.; Sparkman, O. D.; and Linington, R. G.\n\n\n \n\n\n\n Organic Letters, 13(15): 3770–3773. June 2011.\n \n\n\n\n
\n\n\n\n \n \n \"VersatilePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{sanchez_versatile_2011,\n\ttitle = {Versatile {Method} for the {Detection} of {Covalently} {Bound} {Substrates} on {Solid} {Supports} by {DART} {Mass} {Spectrometry}},\n\tvolume = {13},\n\tissn = {1523-7060},\n\turl = {http://dx.doi.org/10.1021/ol201404v},\n\tdoi = {10.1021/ol201404v},\n\tabstract = {Analysis of substrates directly on solid phase resins without the need for separate cleavage conditions remains an outstanding challenge in the field of solid phase synthesis. We now present the first example of simultaneous cleavage and mass spectrometric analysis of peptides from solid supports using direct analysis in real time (DART) mass spectrometry. We have shown that this method is compatible with a diverse array of solid phase resins and is suitable for analysis of both peptides and organic substrates.},\n\tnumber = {15},\n\turldate = {2013-06-05},\n\tjournal = {Organic Letters},\n\tauthor = {Sanchez, Laura M. and Curtis, Matthew E. and Bracamonte, Bianca E. and Kurita, Kenji L. and Navarro, Gabriel and Sparkman, O. David and Linington, Roger G.},\n\tmonth = jun,\n\tyear = {2011},\n\tpages = {3770--3773},\n}\n\n\n\n
\n
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\n Analysis of substrates directly on solid phase resins without the need for separate cleavage conditions remains an outstanding challenge in the field of solid phase synthesis. We now present the first example of simultaneous cleavage and mass spectrometric analysis of peptides from solid supports using direct analysis in real time (DART) mass spectrometry. We have shown that this method is compatible with a diverse array of solid phase resins and is suitable for analysis of both peptides and organic substrates.\n
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\n \n\n \n \n \n \n \n Increasing the rate of sample vaporization in an open air desorption ionization source by using a heated metal screen as a sample holder.\n \n \n \n\n\n \n Krechmer, J.; Tice, J.; Crawford, E.; and Musselman, B.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(17): 2384–2388. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{krechmer_increasing_2011,\n\ttitle = {Increasing the rate of sample vaporization in an open air desorption ionization source by using a heated metal screen as a sample holder},\n\tvolume = {25},\n\tdoi = {10.1002/rcm.5133},\n\tabstract = {Rapid vaporization of sample into the ionizing gas exiting a direct analysis in real time (DARTW) source has been enabled by directing a high electrical current through a metal wire screen to which sample has been applied. This direct heating of the screen enables rapid vaporization of sample as the wire temperature rises from room temperature to greater than 400C in less than 20s. Positioning the screen between the DARTsource and atmospheric pressure inlet of the mass spectrometer ensures that the ionizing gas is in close proximity to the sample molecules, resulting in efficient ionization while significantly reducing the time required for mass spectrometric analysis. The capability to modulate the electrical current flow through the wires facilitates either rapid desorption for the determination of single component samples or slower desorption where analysis of mixtures might be desired. The technology also enables deployment of strategies for the determination of chemicals present as powders that might otherwise require dissolution prior to analysis. Results from the use of this thermally assisted DART (‘TA-DART’) system for the analysis of pure compounds, simple mixtures, solids and low vapor pressure samples are presented.},\n\tnumber = {17},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Krechmer, Jordan and Tice, Joseph and Crawford, Elizabeth and Musselman, Brian},\n\tyear = {2011},\n\tkeywords = {Agilent Quad},\n\tpages = {2384--2388},\n}\n\n\n\n
\n
\n\n\n
\n Rapid vaporization of sample into the ionizing gas exiting a direct analysis in real time (DARTW) source has been enabled by directing a high electrical current through a metal wire screen to which sample has been applied. This direct heating of the screen enables rapid vaporization of sample as the wire temperature rises from room temperature to greater than 400C in less than 20s. Positioning the screen between the DARTsource and atmospheric pressure inlet of the mass spectrometer ensures that the ionizing gas is in close proximity to the sample molecules, resulting in efficient ionization while significantly reducing the time required for mass spectrometric analysis. The capability to modulate the electrical current flow through the wires facilitates either rapid desorption for the determination of single component samples or slower desorption where analysis of mixtures might be desired. The technology also enables deployment of strategies for the determination of chemicals present as powders that might otherwise require dissolution prior to analysis. Results from the use of this thermally assisted DART (‘TA-DART’) system for the analysis of pure compounds, simple mixtures, solids and low vapor pressure samples are presented.\n
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\n \n\n \n \n \n \n \n \n Determination of drugs and drug-like compounds in different samples with direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n Mass Spectrometry Reviews, 30(5): 875–883. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{chernetsova_determination_2011,\n\ttitle = {Determination of drugs and drug-like compounds in different samples with direct analysis in real time mass spectrometry},\n\tvolume = {30},\n\tissn = {1098-2787},\n\turl = {http://dx.doi.org/10.1002/mas.20304},\n\tdoi = {10.1002/mas.20304},\n\tabstract = {Direct analysis in real time (DART), a relatively new ionization source for mass spectrometry, ionizes small-molecule components from different kinds of samples without any sample preparation and chromatographic separation. The current paper reviews the published data available on the determination of drugs and drug-like compounds in different matrices with DART-MS, including identification and quantitation issues. Parameters that affect ionization efficiency and mass spectra composition are also discussed. © 2011 Wiley Periodicals, Inc., Mass Spec Rev 30:875–883, 2011},\n\tnumber = {5},\n\tjournal = {Mass Spectrometry Reviews},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tyear = {2011},\n\tkeywords = {Ambient mass spectrometry, DART, Direct analysis in real time, drugs, identification, quantitation, review; direct analysis in real time; DART; drugs; identification; quantitation; ambient mass spectrometry},\n\tpages = {875--883},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART), a relatively new ionization source for mass spectrometry, ionizes small-molecule components from different kinds of samples without any sample preparation and chromatographic separation. The current paper reviews the published data available on the determination of drugs and drug-like compounds in different matrices with DART-MS, including identification and quantitation issues. Parameters that affect ionization efficiency and mass spectra composition are also discussed. © 2011 Wiley Periodicals, Inc., Mass Spec Rev 30:875–883, 2011\n
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\n \n\n \n \n \n \n \n \n New approach to detecting counterfeit drugs in tablets by DART mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E.; Bochkov, P.; Zatonskii, G.; and Abramovich, R.\n\n\n \n\n\n\n Pharmaceutical Chemistry Journal, 45(5): 306–308. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"NewPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_new_2011,\n\ttitle = {New approach to detecting counterfeit drugs in tablets by {DART} mass spectrometry},\n\tvolume = {45},\n\tissn = {0091-150X},\n\turl = {http://dx.doi.org/10.1007/s11094-011-0622-y},\n\tabstract = {The possibility of using DART mass spectrometry for the identification of active ingredients in tableted drugs has been studied. Analytical results for some drugs such as glycin, nootropyl, anaprilin, mexidol, and biseptol are presented. The benefits and limitations of DART mass spectrometry as applied to fast screening of tableted pharmaceuticals for detecting counterfeits are discussed.},\n\tnumber = {5},\n\tjournal = {Pharmaceutical Chemistry Journal},\n\tauthor = {Chernetsova, E. and Bochkov, P. and Zatonskii, G. and Abramovich, R.},\n\tyear = {2011},\n\tpages = {306--308},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The possibility of using DART mass spectrometry for the identification of active ingredients in tableted drugs has been studied. Analytical results for some drugs such as glycin, nootropyl, anaprilin, mexidol, and biseptol are presented. The benefits and limitations of DART mass spectrometry as applied to fast screening of tableted pharmaceuticals for detecting counterfeits are discussed.\n
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\n \n\n \n \n \n \n \n \n Allium Discoloration: The Precursor and Formation of the Red Pigment in Giant Onion (Allium giganteum Regel) and Some Other Subgenus Melanocrommyum Species.\n \n \n \n \n\n\n \n Kučerová, P.; Kubec, R.; Šimek, P.; Václavík, L.; and Schraml, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(5): 1821–1828. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AlliumPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kucerova_allium_2011,\n\ttitle = {Allium {Discoloration}: {The} {Precursor} and {Formation} of the {Red} {Pigment} in {Giant} {Onion} ({Allium} giganteum {Regel}) and {Some} {Other} {Subgenus} {Melanocrommyum} {Species}},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf104195k},\n\tdoi = {10.1021/jf104195k},\n\tabstract = {The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).\nThe precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).},\n\tnumber = {5},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Kučerová, Petra and Kubec, Roman and Šimek, Petr and Václavík, Lukáš and Schraml, Jan},\n\tyear = {2011},\n\tkeywords = {S-(2-pyrrolyl)cysteine S-oxide; S-(3-pyrrolyl)cysteine S-oxide; giant onion; Allium giganteum; Melanocrommyum; discoloration; thiosulfinate; pigment; LC−NMR; DART-MS; sulfenic acid; non-protein amino acid; AccuTOF},\n\tpages = {1821--1828},\n}\n\n\n\n
\n
\n\n\n
\n The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa). The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).\n
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\n \n\n \n \n \n \n \n \n Development and validation of AccuTOF-DART™ as a screening method for analysis of bank security device and pepper spray components.\n \n \n \n \n\n\n \n Pfaff, A. M.; and Steiner, R. R.\n\n\n \n\n\n\n Forensic Science International, 206(1–3): 62–70. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DevelopmentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{pfaff_development_2011,\n\ttitle = {Development and validation of {AccuTOF}-{DART}™ as a screening method for analysis of bank security device and pepper spray components},\n\tvolume = {206},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073810003154},\n\tdoi = {10.1016/j.forsciint.2010.06.018},\n\tabstract = {Analysis of bank security devices, containing 1-methylaminoanthraquinone (MAAQ) and o-chlorobenzylidenemalononitrile (CS), and pepper sprays, containing capsaicin, is a lengthy process with no specific screening technique to aid in identifying samples of interest. Direct Analysis in Real Time (DART™) ionization coupled with an Accurate Time of Flight (AccuTOF) mass detector is a fast, ambient ionization source that could significantly reduce time spent on these cases and increase the specificity of the screening process. A new method for screening clothing for bank dye and pepper spray, using AccuTOF-DART™ analysis, has been developed. Detection of MAAQ, CS, and capsaicin was achieved via extraction of each compound onto cardstock paper, which was then sampled in the AccuTOF-DART™. All results were verified using gas chromatography coupled with electron impact mass spectrometry.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Pfaff, Allison M. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {Bank dye, Direct analysis in real time, Forensic science; Bank dye; Pepper spray; Direct Analysis in Real Time; Mass spectrometry; Time of flight; AccuTOF, Pepper spray, forensic science, mass spectrometry, time of flight},\n\tpages = {62--70},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Analysis of bank security devices, containing 1-methylaminoanthraquinone (MAAQ) and o-chlorobenzylidenemalononitrile (CS), and pepper sprays, containing capsaicin, is a lengthy process with no specific screening technique to aid in identifying samples of interest. Direct Analysis in Real Time (DART™) ionization coupled with an Accurate Time of Flight (AccuTOF) mass detector is a fast, ambient ionization source that could significantly reduce time spent on these cases and increase the specificity of the screening process. A new method for screening clothing for bank dye and pepper spray, using AccuTOF-DART™ analysis, has been developed. Detection of MAAQ, CS, and capsaicin was achieved via extraction of each compound onto cardstock paper, which was then sampled in the AccuTOF-DART™. All results were verified using gas chromatography coupled with electron impact mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Principal component directed partial least squares analysis for combining nuclear magnetic resonance and mass spectrometry data in metabolomics: Application to the detection of breast cancer.\n \n \n \n \n\n\n \n Gu, H.; Pan, Z.; Xi, B.; Asiago, V.; Musselman, B.; and Raftery, D.\n\n\n \n\n\n\n Analytica Chimica Acta, 686(1–2): 57–63. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PrincipalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{gu_principal_2011,\n\ttitle = {Principal component directed partial least squares analysis for combining nuclear magnetic resonance and mass spectrometry data in metabolomics: {Application} to the detection of breast cancer},\n\tvolume = {686},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267010014558},\n\tdoi = {10.1016/j.aca.2010.11.040},\n\tabstract = {Nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) are the two most commonly used analytical tools in metabolomics, and their complementary nature makes the combination particularly attractive. A combined analytical approach can improve the potential for providing reliable methods to detect metabolic profile alterations in biofluids or tissues caused by disease, toxicity, etc. In this paper, 1H NMR spectroscopy and direct analysis in real time (DART)-MS were used for the metabolomics analysis of serum samples from breast cancer patients and healthy controls. Principal component analysis (PCA) of the NMR data showed that the first principal component (PC1) scores could be used to separate cancer from normal samples. However, no such obvious clustering could be observed in the PCA score plot of DART-MS data, even though DART-MS can provide a rich and informative metabolic profile. Using a modified multivariate statistical approach, the DART-MS data were then reevaluated by orthogonal signal correction (OSC) pretreated partial least squares (PLS), in which the Y matrix in the regression was set to the PC1 score values from the NMR data analysis. This approach, and a similar one using the first latent variable from PLS-DA of the NMR data resulted in a significant improvement of the separation between the disease samples and normals, and a metabolic profile related to breast cancer could be extracted from DART-MS. The new approach allows the disease classification to be expressed on a continuum as opposed to a binary scale and thus better represents the disease and healthy classifications. An improved metabolic profile obtained by combining MS and NMR by this approach may be useful to achieve more accurate disease detection and gain more insight regarding disease mechanisms and biology.},\n\tnumber = {1–2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Gu, Haiwei and Pan, Zhengzheng and Xi, Bowei and Asiago, Vincent and Musselman, Brian and Raftery, Daniel},\n\tyear = {2011},\n\tkeywords = {Breast cancer, Direct analysis in real time, Human serum, Nuclear magnetic resonance, Orthogonal signal correction, Partial least squares, mass spectrometry, metabolomics},\n\tpages = {57--63},\n}\n\n\n\n
\n
\n\n\n
\n Nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) are the two most commonly used analytical tools in metabolomics, and their complementary nature makes the combination particularly attractive. A combined analytical approach can improve the potential for providing reliable methods to detect metabolic profile alterations in biofluids or tissues caused by disease, toxicity, etc. In this paper, 1H NMR spectroscopy and direct analysis in real time (DART)-MS were used for the metabolomics analysis of serum samples from breast cancer patients and healthy controls. Principal component analysis (PCA) of the NMR data showed that the first principal component (PC1) scores could be used to separate cancer from normal samples. However, no such obvious clustering could be observed in the PCA score plot of DART-MS data, even though DART-MS can provide a rich and informative metabolic profile. Using a modified multivariate statistical approach, the DART-MS data were then reevaluated by orthogonal signal correction (OSC) pretreated partial least squares (PLS), in which the Y matrix in the regression was set to the PC1 score values from the NMR data analysis. This approach, and a similar one using the first latent variable from PLS-DA of the NMR data resulted in a significant improvement of the separation between the disease samples and normals, and a metabolic profile related to breast cancer could be extracted from DART-MS. The new approach allows the disease classification to be expressed on a continuum as opposed to a binary scale and thus better represents the disease and healthy classifications. An improved metabolic profile obtained by combining MS and NMR by this approach may be useful to achieve more accurate disease detection and gain more insight regarding disease mechanisms and biology.\n
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\n \n\n \n \n \n \n \n In-situ and Rapid Identification of Tea by Diect Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Zhang, J.; Zhang, W.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Chinese Journal of Chromatography, 29(7): 681–686. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhang_-situ_2011,\n\ttitle = {In-situ and {Rapid} {Identification} of {Tea} by {Diect} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {29},\n\tabstract = {By applying an ambient mass spectrometric method-direct analysis in real time mass spectrometry (DART MS), a method was developed for rapid identification of the principal constituents in different kinds of tea. The identification of different kinds of tea was also achieved by characteristic mass spectrometric signals. Under atmospheric pressure, DART MS method does not require any sample preparation, greatly reduces the analysis time, realizes the in situ, rapid, accurate, and high-throughput analysis.},\n\tnumber = {7},\n\tjournal = {Chinese Journal of Chromatography},\n\tauthor = {Zhang, J. and Zhang, W. and Zhou, Z. and Bai, Y. and Liu, H.},\n\tyear = {2011},\n\tkeywords = {ion trap; XCT},\n\tpages = {681--686},\n}\n\n\n\n
\n
\n\n\n
\n By applying an ambient mass spectrometric method-direct analysis in real time mass spectrometry (DART MS), a method was developed for rapid identification of the principal constituents in different kinds of tea. The identification of different kinds of tea was also achieved by characteristic mass spectrometric signals. Under atmospheric pressure, DART MS method does not require any sample preparation, greatly reduces the analysis time, realizes the in situ, rapid, accurate, and high-throughput analysis.\n
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\n \n\n \n \n \n \n \n Simple and Rapid Screening for Methamphetamine and 3,4-Methylene- dioxymethamphetamine (MDMA) and Their Metabolites in Urine Using Direct Analysis in Real Time (DART)-TOFMS.\n \n \n \n\n\n \n Kawamura, M.; Kikura-Hanajiri, R.; and Goda, Y.\n\n\n \n\n\n\n Yakugaku Zasshi, 131(5): 827–833. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{kawamura_simple_2011,\n\ttitle = {Simple and {Rapid} {Screening} for {Methamphetamine} and 3,4-{Methylene}- dioxymethamphetamine ({MDMA}) and {Their} {Metabolites} in {Urine} {Using} {Direct} {Analysis} in {Real} {Time} ({DART})-{TOFMS}},\n\tvolume = {131},\n\tdoi = {10.1248/yakushi.131.827},\n\tabstract = {An ionization technique, direct analysis in real time (DART) has recently been developed for the ambient ionization of a variety samples. The DART coupled with time-of-flight mass spectrometry (TOFMS) would be useful as a simple and rapid screening for the targeted compounds in various samples, because it provides the molecular information of these compounds without time-consuming extraction. In this study, we investigated rapid screening methods of illicit drugs and their metabolites, such as methamphetamine (MA), 3,4-methylenedioxymethamphetamine (MDMA), amphetamine (AP) and 3,4-methylenedioxyamphetamine (MDA) in human urine using DART-TOFMS. As serious matrix effects caused by urea in urine samples and ionizations of the targeted compounds were greatly suppressed in the DART-TOFMS analyses, simple pretreatment methods to remove the urea from the samples were investigated. When a pipette tip-type solid-phase extraction with a dichloromethane and isopropanol mixed solution as an eluent was used for the pretreatment, the limits of detection (LODs) of 4 compounds added to control urine samples were 0.25 μg/ml. On the other hand, the LODs of these compounds were 0.5 μg/ml by a liquid-liquid extraction using a dichloromethane and hexane mixed solution. In both extractions, the recoveries of 4 compounds from urine samples were over 70\\% and these extraction methods showed good linearity in the range of 0.5-5 μg/ml by GC-MS analyses. In conclusion, our proposed method using DART-TOFMS could simultaneously detect MA, MDMA and their metabolites in urine at 0.5 μg/ml without time-consuming pretreatment steps. Therefore it would be useful for screening drugs in urine with the molecular information.},\n\tnumber = {5},\n\tjournal = {Yakugaku Zasshi},\n\tauthor = {Kawamura, M. and Kikura-Hanajiri, R. and Goda, Y.},\n\tyear = {2011},\n\tkeywords = {direct analysis in real time; methamphetamine; 3,4-methylenedioxymethamphetamine; urine; time-of-flight mass spectrometry; AccuTOF},\n\tpages = {827--833},\n}\n\n\n\n
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\n\n\n
\n An ionization technique, direct analysis in real time (DART) has recently been developed for the ambient ionization of a variety samples. The DART coupled with time-of-flight mass spectrometry (TOFMS) would be useful as a simple and rapid screening for the targeted compounds in various samples, because it provides the molecular information of these compounds without time-consuming extraction. In this study, we investigated rapid screening methods of illicit drugs and their metabolites, such as methamphetamine (MA), 3,4-methylenedioxymethamphetamine (MDMA), amphetamine (AP) and 3,4-methylenedioxyamphetamine (MDA) in human urine using DART-TOFMS. As serious matrix effects caused by urea in urine samples and ionizations of the targeted compounds were greatly suppressed in the DART-TOFMS analyses, simple pretreatment methods to remove the urea from the samples were investigated. When a pipette tip-type solid-phase extraction with a dichloromethane and isopropanol mixed solution as an eluent was used for the pretreatment, the limits of detection (LODs) of 4 compounds added to control urine samples were 0.25 μg/ml. On the other hand, the LODs of these compounds were 0.5 μg/ml by a liquid-liquid extraction using a dichloromethane and hexane mixed solution. In both extractions, the recoveries of 4 compounds from urine samples were over 70% and these extraction methods showed good linearity in the range of 0.5-5 μg/ml by GC-MS analyses. In conclusion, our proposed method using DART-TOFMS could simultaneously detect MA, MDMA and their metabolites in urine at 0.5 μg/ml without time-consuming pretreatment steps. Therefore it would be useful for screening drugs in urine with the molecular information.\n
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\n \n\n \n \n \n \n \n \n Microwave-Assisted Solution-Phase Synthesis and DART-Mass Spectrometric Monitoring of a Combinatorial Library of Indolin-2,3-dione Schiff Bases with Potential Antimycobacterial Activity.\n \n \n \n \n\n\n \n Aboul-Fadl, T.; Abdel-Aziz, H. A; Kadi, A.; Ahmad, P.; Elsaman, T.; Attwa, M. W; and Darwish, I. A\n\n\n \n\n\n\n Molecules, 16(6): 5194–5206. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"Microwave-AssistedPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{aboul-fadl_microwave-assisted_2011,\n\ttitle = {Microwave-{Assisted} {Solution}-{Phase} {Synthesis} and {DART}-{Mass} {Spectrometric} {Monitoring} of a {Combinatorial} {Library} of {Indolin}-2,3-dione {Schiff} {Bases} with {Potential} {Antimycobacterial} {Activity}},\n\tvolume = {16},\n\turl = {http://www.mdpi.com/1420-3049/16/6/5194/},\n\tabstract = {A combinatorial library composed of eleven hydrazides A-K and eleven indolin-1,2-dione derivatives 1-11 has been designed to formally generate sublibraries of 22 mixtures, M1-M22 comprising of 121 Schiff bases, A-K(1-11). The designed library has been synthesized by the solution-phase method and microwave-assisted synthetic techniques. The formation of individual compounds of each mixture was confirmed by Direct Analysis in Real Time (DART) as ionization technique connected to an Ion Trap as a mass detector. The synthesized mixtures were evaluated for their antimycobacterial activity against four Mycobacterium strains; M. intercellulari, M. xenopi, M. cheleneoi and M. smegmatis. Variable antimycobacterial activity was revealed with the investigated mixtures and maximum activity was shown by M8, M10, M11, and M15 with MIC values of 1.5, 3.1, 6.2 and 0.09 μg/mL, respectively. Application of the indexed method of analysis on these active mixtures revealed that compounds D8, D10 and D11 may contribute to the activity of the tested mixtures.},\n\tnumber = {6},\n\tjournal = {Molecules},\n\tauthor = {Aboul-Fadl, Tarek and Abdel-Aziz, Hatem A and Kadi, Adnan and Ahmad, Pervez and Elsaman, Tilal and Attwa, Mohamed W and Darwish, Ibrahim A},\n\tyear = {2011},\n\tpages = {5194--5206},\n}\n\n\n\n
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\n A combinatorial library composed of eleven hydrazides A-K and eleven indolin-1,2-dione derivatives 1-11 has been designed to formally generate sublibraries of 22 mixtures, M1-M22 comprising of 121 Schiff bases, A-K(1-11). The designed library has been synthesized by the solution-phase method and microwave-assisted synthetic techniques. The formation of individual compounds of each mixture was confirmed by Direct Analysis in Real Time (DART) as ionization technique connected to an Ion Trap as a mass detector. The synthesized mixtures were evaluated for their antimycobacterial activity against four Mycobacterium strains; M. intercellulari, M. xenopi, M. cheleneoi and M. smegmatis. Variable antimycobacterial activity was revealed with the investigated mixtures and maximum activity was shown by M8, M10, M11, and M15 with MIC values of 1.5, 3.1, 6.2 and 0.09 μg/mL, respectively. Application of the indexed method of analysis on these active mixtures revealed that compounds D8, D10 and D11 may contribute to the activity of the tested mixtures.\n
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\n \n\n \n \n \n \n \n \n Evaluation of direct analysis in real time mass spectrometry for onsite monitoring of batch slurry reactions.\n \n \n \n \n\n\n \n Cho, D. S.; Gibson, S. C.; Bhandari, D.; McNally, M. E.; Hoffman, R. M.; Cook, K. D.; and Song, L.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(23): 3575–3580. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cho_evaluation_2011,\n\ttitle = {Evaluation of direct analysis in real time mass spectrometry for onsite monitoring of batch slurry reactions},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5269},\n\tdoi = {10.1002/rcm.5269},\n\tabstract = {Batch slurry reactions are widely used in the industrial manufacturing of chemicals, pharmaceuticals, petrochemicals and polymers. However, onsite monitoring of batch slurry reactions is still not feasible in production plants due to the challenge in analyzing heterogeneous samples without complicated sample preparation procedures. In this study, direct analysis in real time mass spectrometry (DART-MS) has been evaluated for the onsite monitoring of a model batch slurry reaction. The results suggested that automation of the sampling process of DART-MS is important to achieve quantitative results. With a sampling technique of manual sample deposition on melting point capillaries followed by automatic sample introduction across the helium beam, relative standard deviation (RSD) of the protonated molecule signals from the reaction product of the model batch slurry reaction ranged from 6 to 30\\%. This RSD range is improved greatly over a sampling technique of manual sample deposition followed by manual sample introduction where the RSDs are up to 110\\%. Furthermore, with the semi-automated sampling approach, semi-quantitative analysis of slurry samples has been achieved. Better quantification is expected with a fully automated sampling approach. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {23},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Cho, David S. and Gibson, Stephen C. and Bhandari, Deepak and McNally, Mary Ellen and Hoffman, Ron M. and Cook, Kelsey D. and Song, Liguo},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {3575--3580},\n}\n\n\n\n
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\n Batch slurry reactions are widely used in the industrial manufacturing of chemicals, pharmaceuticals, petrochemicals and polymers. However, onsite monitoring of batch slurry reactions is still not feasible in production plants due to the challenge in analyzing heterogeneous samples without complicated sample preparation procedures. In this study, direct analysis in real time mass spectrometry (DART-MS) has been evaluated for the onsite monitoring of a model batch slurry reaction. The results suggested that automation of the sampling process of DART-MS is important to achieve quantitative results. With a sampling technique of manual sample deposition on melting point capillaries followed by automatic sample introduction across the helium beam, relative standard deviation (RSD) of the protonated molecule signals from the reaction product of the model batch slurry reaction ranged from 6 to 30%. This RSD range is improved greatly over a sampling technique of manual sample deposition followed by manual sample introduction where the RSDs are up to 110%. Furthermore, with the semi-automated sampling approach, semi-quantitative analysis of slurry samples has been achieved. Better quantification is expected with a fully automated sampling approach. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Quantitative analysis of major dibenzocyclooctane lignans in schisandrae fructus by online TLC-DART-MS.\n \n \n \n \n\n\n \n Kim, H. J.; Oh, M. S.; Hong, J.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis, 22(3): 258–262. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_quantitative_2011,\n\ttitle = {Quantitative analysis of major dibenzocyclooctane lignans in schisandrae fructus by online {TLC}-{DART}-{MS}},\n\tvolume = {22},\n\tissn = {09580344},\n\turl = {http://doi.wiley.com/10.1002/pca.1273},\n\tdoi = {10.1002/pca.1273},\n\tabstract = {Introduction – Direct analysis in real time (DART) ion source is a powerful ionising technique for the quick and easy detection of various organic molecules without any sample preparation steps, but the lack of quantitation capacity limits its extensive use in the field of phytochemical analysis.\nObjective – To improvise a new system which utilize DART-MS as a hyphenated detector for quantitation.\nMethodology – A total extract of Schisandra chinensis fruit was analyzed on a TLC plate and three major lignan compounds were quantitated by three different methods of UV densitometry, TLC-DART-MS and HPLC-UV to compare the efficiency of each method. To introduce the TLC plate into the DART ion source at a constant velocity, a syringe pump was employed. The DART-MS total ion current chromatogram was recorded for the entire TLC plate. The concentration of each lignan compound was calculated from the calibration curve established with standard compound.\nResults – Gomisin A, gomisin N and schisandrin were well separated on a silica-coated TLC plate and the specific ion current chromatograms were successfully acquired from the TLC-DART-MS system. The TLC-DART-MS system for the quantitation of natural products showed better linearity and specificity than TLC densitometry, and consumed less time and solvent than conventional HPLC method.\nConclusion – A hyphenated system for the quantitation of phytochemicals from crude herbal drugs was successfully established. This system was shown to have a powerful analytical capacity for the prompt and efficient quantitation of natural products from crude drugs.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Oh, Myung Sook and Hong, Jongki and Jang, Young Pyo},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {258--262},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Introduction – Direct analysis in real time (DART) ion source is a powerful ionising technique for the quick and easy detection of various organic molecules without any sample preparation steps, but the lack of quantitation capacity limits its extensive use in the field of phytochemical analysis. Objective – To improvise a new system which utilize DART-MS as a hyphenated detector for quantitation. Methodology – A total extract of Schisandra chinensis fruit was analyzed on a TLC plate and three major lignan compounds were quantitated by three different methods of UV densitometry, TLC-DART-MS and HPLC-UV to compare the efficiency of each method. To introduce the TLC plate into the DART ion source at a constant velocity, a syringe pump was employed. The DART-MS total ion current chromatogram was recorded for the entire TLC plate. The concentration of each lignan compound was calculated from the calibration curve established with standard compound. Results – Gomisin A, gomisin N and schisandrin were well separated on a silica-coated TLC plate and the specific ion current chromatograms were successfully acquired from the TLC-DART-MS system. The TLC-DART-MS system for the quantitation of natural products showed better linearity and specificity than TLC densitometry, and consumed less time and solvent than conventional HPLC method. Conclusion – A hyphenated system for the quantitation of phytochemicals from crude herbal drugs was successfully established. This system was shown to have a powerful analytical capacity for the prompt and efficient quantitation of natural products from crude drugs.\n
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\n \n\n \n \n \n \n \n \n Identification of ambiguous cubeb fruit by DART-MS-based fingerprinting combined with principal component analysis.\n \n \n \n \n\n\n \n Kim, H. J.; Baek, W. S.; and Jang, Y. P.\n\n\n \n\n\n\n Food Chemistry, 129(3): 1305–1310. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{kim_identification_2011,\n\ttitle = {Identification of ambiguous cubeb fruit by {DART}-{MS}-based fingerprinting combined with principal component analysis},\n\tvolume = {129},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814611007862},\n\tdoi = {10.1016/j.foodchem.2011.05.083},\n\tabstract = {The cubeb berry has been used as a spice and medicinal herb since medieval times. In China, Litsea cubeba (Lauraceae) has been designated as the cubeb tree; in other countries, Piper cubeba (Piperaceae) is considered as the cubeb. Since most cubeb berries in the Korean market are imported from China, there is a need to develop an efficient analytical method for the identification of the origin of cubeb fruit. Thirty-two commercial cubeb samples were collected from China, Korea, and Indonesia, and direct analysis in real time mass spectrometry (DART-MS) was employed to obtain a chemical fingerprint of each sample for multivariate analysis. Cubebene was identified as a marker molecule for P. cubeba, and all cubeb samples from Korean markets were identified as the fruit of L. cubeba. DART-MS fingerprinting together with principal component analysis can be applied as a promising method for rapid identification and/or quality control of cubeb berries.},\n\tnumber = {3},\n\tjournal = {Food Chemistry},\n\tauthor = {Kim, Hye Jin and Baek, Wan Sook and Jang, Young Pyo},\n\tyear = {2011},\n\tkeywords = {Cubeb berries, Cubeb berries; Piper cubeba; Litsea cubeba; DART-MS; Principal component analysis; AccuTOF, DART-MS, Litsea cubeba, Piper cubeba, Principal component analysis},\n\tpages = {1305--1310},\n}\n\n\n\n\n\n\n\n
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\n The cubeb berry has been used as a spice and medicinal herb since medieval times. In China, Litsea cubeba (Lauraceae) has been designated as the cubeb tree; in other countries, Piper cubeba (Piperaceae) is considered as the cubeb. Since most cubeb berries in the Korean market are imported from China, there is a need to develop an efficient analytical method for the identification of the origin of cubeb fruit. Thirty-two commercial cubeb samples were collected from China, Korea, and Indonesia, and direct analysis in real time mass spectrometry (DART-MS) was employed to obtain a chemical fingerprint of each sample for multivariate analysis. Cubebene was identified as a marker molecule for P. cubeba, and all cubeb samples from Korean markets were identified as the fruit of L. cubeba. DART-MS fingerprinting together with principal component analysis can be applied as a promising method for rapid identification and/or quality control of cubeb berries.\n
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\n \n\n \n \n \n \n \n \n Epiafzelechin from the Root Bark of Cassia sieberiana: Detection by DART Mass Spectrometry, Spectroscopic Characterization, and Antioxidant Properties.\n \n \n \n \n\n\n \n Kpegba, K.; Agbonon, A.; Petrovic, A. G.; Amouzou, E.; Gbeassor, M.; Proni, G.; and Nesnas, N.\n\n\n \n\n\n\n Journal of Natural Products, 74(3): 455–459. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"EpiafzelechinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kpegba_epiafzelechin_2011,\n\ttitle = {Epiafzelechin from the {Root} {Bark} of {Cassia} sieberiana: {Detection} by {DART} {Mass} {Spectrometry}, {Spectroscopic} {Characterization}, and {Antioxidant} {Properties}},\n\tvolume = {74},\n\tissn = {0163-3864, 1520-6025},\n\tshorttitle = {Epiafzelechin from the {Root} {Bark} of {Cassia} sieberiana},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/np100090e},\n\tdoi = {10.1021/np100090e},\n\tabstract = {The root bark of Cassia sieberiana was analyzed using direct analysis in real time mass spectrometry, and a main flavonoid component with an [M + H]+ mass of 275 was identified. The flavonoid, epiafzelechin, was isolated and fully characterized with the concerted use of NMR spectroscopy, circular dichroism, and optical rotation. Electronic circular dichroism and optical rotation TDDFT calculations were also performed, and their agreement with the experimental results confirmed the enantiomeric identity of the isolated natural product. The antioxidant activity of the compound was also investigated.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Journal of Natural Products},\n\tauthor = {Kpegba, Kafui and Agbonon, Amegnona and Petrovic, Ana G. and Amouzou, Etchri and Gbeassor, Messanvi and Proni, Gloria and Nesnas, Nasri},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {455--459},\n}\n\n\n\n
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\n The root bark of Cassia sieberiana was analyzed using direct analysis in real time mass spectrometry, and a main flavonoid component with an [M + H]+ mass of 275 was identified. The flavonoid, epiafzelechin, was isolated and fully characterized with the concerted use of NMR spectroscopy, circular dichroism, and optical rotation. Electronic circular dichroism and optical rotation TDDFT calculations were also performed, and their agreement with the experimental results confirmed the enantiomeric identity of the isolated natural product. The antioxidant activity of the compound was also investigated.\n
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\n \n\n \n \n \n \n \n \n Challenging applications offered by direct analysis in real time (DART) in food-quality and safety analysis.\n \n \n \n \n\n\n \n Hajslova, J.; Cajka, T.; and Vaclavik, L.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry, 30(2): 204–218. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ChallengingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{hajslova_challenging_2011,\n\ttitle = {Challenging applications offered by direct analysis in real time ({DART}) in food-quality and safety analysis},\n\tvolume = {30},\n\tissn = {0165-9936},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0165993610003134},\n\tdoi = {10.1016/j.trac.2010.11.001},\n\tabstract = {Direct analysis in real time (DART) is an ambient ionization technique undergoing rapid development. With minimal sample pre-treatment, ionization of analyte molecules outside the mass spectrometry (MS) instrument in the ordinary atmosphere is feasible. This ionization approach relies upon the fundamental principles of atmospheric pressure chemical ionization.\n\nThe current review highlights and critically assesses application of DART (and some related desorption/ionization techniques) coupled to various types of MS analyzers for both target and non-target analysis of complex food matrices. Based on existing studies, DART-MS is presented as a simple, high-throughput tool for:(i)\nqualitative confirmation of chemical identity;\n(ii)\nmetabolomic fingerprinting/profiling; and,\n(iii)\nquantification of low-molecular-weight food components, including some trace organic contaminants.\n\n\nWith regard to regulatory requirements, we mention practical aspects of DART-MS use, as well as performance characteristics that can be attained.},\n\tnumber = {2},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Hajslova, Jana and Cajka, Tomas and Vaclavik, Lukas},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Ambient ionization, Atmospheric pressure chemical ionization, Contaminant, DART, Direct analysis in real time, Fingerprinting, Food quality, Food safety, Profiling, mass spectrometry},\n\tpages = {204--218},\n}\n\n\n\n
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\n\n\n
\n Direct analysis in real time (DART) is an ambient ionization technique undergoing rapid development. With minimal sample pre-treatment, ionization of analyte molecules outside the mass spectrometry (MS) instrument in the ordinary atmosphere is feasible. This ionization approach relies upon the fundamental principles of atmospheric pressure chemical ionization. The current review highlights and critically assesses application of DART (and some related desorption/ionization techniques) coupled to various types of MS analyzers for both target and non-target analysis of complex food matrices. Based on existing studies, DART-MS is presented as a simple, high-throughput tool for:(i) qualitative confirmation of chemical identity; (ii) metabolomic fingerprinting/profiling; and, (iii) quantification of low-molecular-weight food components, including some trace organic contaminants. With regard to regulatory requirements, we mention practical aspects of DART-MS use, as well as performance characteristics that can be attained.\n
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\n \n\n \n \n \n \n \n \n Direct analysis of dithiocarbamate fungicides in fruit by ambient mass spectrometry.\n \n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Zomer, P.; Mol, H.; and Hajslova, J.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 28(10): 1372–1382. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cajka_direct_2011,\n\ttitle = {Direct analysis of dithiocarbamate fungicides in fruit by ambient mass spectrometry},\n\tvolume = {28},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2011.590456},\n\tdoi = {10.1080/19440049.2011.590456},\n\tabstract = {Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.\nDithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.},\n\tnumber = {10},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Cajka, Tomas and Riddellova, Katerina and Zomer, Paul and Mol, Hans and Hajslova, Jana},\n\tyear = {2011},\n\tpages = {1372--1382},\n}\n\n\n\n
\n
\n\n\n
\n Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained. Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.\n
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\n \n\n \n \n \n \n \n Crushing Garlic and Slicing Onions: Detection of Sulfenic Acids and Other Reactive Organosulfur Intermediates from Garlic and Other Alliums using Direct Analysis in Real-Time Mass Spectrometry (DART-MS).\n \n \n \n\n\n \n Block, E.; Dane, A.; and Cody, R.\n\n\n \n\n\n\n Phosphorus, Sulfur, and Silicon and the Related Elements, 186(5): 1085–1093. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{block_crushing_2011,\n\ttitle = {Crushing {Garlic} and {Slicing} {Onions}: {Detection} of {Sulfenic} {Acids} and {Other} {Reactive} {Organosulfur} {Intermediates} from {Garlic} and {Other} {Alliums} using {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry} ({DART}-{MS})},\n\tvolume = {186},\n\tabstract = {Direct analysis in real-time mass spectrometry (DART-MS) under both positive-ion (PI) and negative-ion (NI) high-resolution (HR) conditions has been used to identify reactive sulfur-containing compounds formed from cutting seven different genus Allium species, garlic, onion, elephant garlic, leek, Chinese chives, and the ornamental species, Allium siculum and A. stipitatum. From cut garlic, PI-DART-MS shows allicin, allyl/methyl and dimethyl thiosulfinates, diallyl trisulfane S-oxide, allyl alcohol, and propene, whereas NI-DART-MS shows 2-propenesulfenic acid, 2-propenesulfinic acid, SO2, and pyruvate. From cut onion, PI-DART-MS shows mainly the lachrymatory factor (LF), along with much lower amounts of thiosulfinates, zwiebelanes, and a bis-sulfine. From cut elephant garlic, both allicin and LF are found, along with thiosulfinates and bis-sulfine. From cut leek, using PI-DART-MS, mixed methyl-1-propenyl-n-propyl thiosulfinates are found, whereas cut Chinese chive shows predominantly methyl with lesser amounts of mixed allyl/methyl thiosufinates. From cut A. siculum, PI-DART-MS shows butanethial S-oxide along with lesser amounts of mixed 1-butenyl/n-butyl/methyl thiosulfinates, while from cut A. stipitatum, N-hydroxy-2-pyridinethione (pyrithone) is seen. PI-DART-MS analysis of all six cut Allium species showed that disulfanes and polysulfanes were absent, which is consistent with these compounds being artifacts from handling and analysis.},\n\tnumber = {5},\n\tjournal = {Phosphorus, Sulfur, and Silicon and the Related Elements},\n\tauthor = {Block, E. and Dane, A.J. and Cody, R.B.},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {1085--1093},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real-time mass spectrometry (DART-MS) under both positive-ion (PI) and negative-ion (NI) high-resolution (HR) conditions has been used to identify reactive sulfur-containing compounds formed from cutting seven different genus Allium species, garlic, onion, elephant garlic, leek, Chinese chives, and the ornamental species, Allium siculum and A. stipitatum. From cut garlic, PI-DART-MS shows allicin, allyl/methyl and dimethyl thiosulfinates, diallyl trisulfane S-oxide, allyl alcohol, and propene, whereas NI-DART-MS shows 2-propenesulfenic acid, 2-propenesulfinic acid, SO2, and pyruvate. From cut onion, PI-DART-MS shows mainly the lachrymatory factor (LF), along with much lower amounts of thiosulfinates, zwiebelanes, and a bis-sulfine. From cut elephant garlic, both allicin and LF are found, along with thiosulfinates and bis-sulfine. From cut leek, using PI-DART-MS, mixed methyl-1-propenyl-n-propyl thiosulfinates are found, whereas cut Chinese chive shows predominantly methyl with lesser amounts of mixed allyl/methyl thiosufinates. From cut A. siculum, PI-DART-MS shows butanethial S-oxide along with lesser amounts of mixed 1-butenyl/n-butyl/methyl thiosulfinates, while from cut A. stipitatum, N-hydroxy-2-pyridinethione (pyrithone) is seen. PI-DART-MS analysis of all six cut Allium species showed that disulfanes and polysulfanes were absent, which is consistent with these compounds being artifacts from handling and analysis.\n
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\n \n\n \n \n \n \n \n \n Precursors and Formation of Pyrithione and Other Pyridyl-Containing Sulfur Compounds in Drumstick Onion, Allium stipitatum.\n \n \n \n \n\n\n \n Kubec, R.; Krejčová, P.; Šimek, P.; Václavík, L.; Hajšlová, J.; and Schraml, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(10): 5763–5770. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PrecursorsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kubec_precursors_2011,\n\ttitle = {Precursors and {Formation} of {Pyrithione} and {Other} {Pyridyl}-{Containing} {Sulfur} {Compounds} in {Drumstick} {Onion}, {Allium} stipitatum},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf200704n},\n\tdoi = {10.1021/jf200704n},\n\tabstract = {Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.\nTwo novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.},\n\tnumber = {10},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Kubec, Roman and Krejčová, Petra and Šimek, Petr and Václavík, Lukáš and Hajšlová, Jana and Schraml, Jan},\n\tyear = {2011},\n\tkeywords = {Allium stipitatum; S-(2-pyridyl)cysteine N-oxide; marasmin; sulfenic acid; DART-MS; pyrithione; AccuTOF},\n\tpages = {5763--5770},\n}\n\n\n\n
\n
\n\n\n
\n Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product. Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.\n
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\n \n\n \n \n \n \n \n \n Qualitative Analysis of Tackifier Resins in Pressure Sensitive Adhesives Using Direct Analysis in Real Time Time-of-Flight Mass Spectrometry.\n \n \n \n \n\n\n \n Mess, A.; Vietzke, J.; Rapp, C.; and Francke, W.\n\n\n \n\n\n\n Anal. Chem., 83(19): 7323–7330. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"QualitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{mess_qualitative_2011,\n\ttitle = {Qualitative {Analysis} of {Tackifier} {Resins} in {Pressure} {Sensitive} {Adhesives} {Using} {Direct} {Analysis} in {Real} {Time} {Time}-of-{Flight} {Mass} {Spectrometry}},\n\tvolume = {83},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac2011608},\n\tdoi = {10.1021/ac2011608},\n\tabstract = {Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1\\% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.\nTackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1\\% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.},\n\tnumber = {19},\n\tjournal = {Anal. Chem.},\n\tauthor = {Mess, Aylin and Vietzke, Jens-Peter and Rapp, Claudius and Francke, Wittko},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {7323--7330},\n}\n\n\n\n
\n
\n\n\n
\n Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs. Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.\n
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\n \n\n \n \n \n \n \n \n Danshen extract does not alter pharmacokinetics of docetaxel and clopidogrel, reflecting its negligible potential in P-glycoprotein- and cytochrome P4503A-mediated herb–drug interactions.\n \n \n \n \n\n\n \n Lee, J. H.; Shin, Y.; Kim, H. J.; Oh, J.; Jang, Y. P.; and Lee, Y.\n\n\n \n\n\n\n International Journal of Pharmaceutics, 410(1-2): 68–74. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DanshenPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{lee_danshen_2011,\n\ttitle = {Danshen extract does not alter pharmacokinetics of docetaxel and clopidogrel, reflecting its negligible potential in {P}-glycoprotein- and cytochrome {P4503A}-mediated herb–drug interactions},\n\tvolume = {410},\n\turl = {http://dx.doi.org/10.1016/j.ijpharm.2011.03.031},\n\tabstract = {Danshen (Salvia miltiorrhiza) contains tanshinones, which inhibit P-glycoprotein (P-gp) and the cytochrome P450 (CYP) system. In the present study, we evaluated the possible pharmacokinetic interactions of Danshen extract with docetaxel and clopidogrel in rats. Docetaxel (5 mg/kg intravenously and 40 mg/kg orally) or clopidogrel (30 mg/kg orally) was administered to rats with or without oral co-administration of Danshen (400 mg/kg). Co-administration of Danshen did not affect the plasma concentration profiles and pharmacokinetic parameters of docetaxel and clopidogrel, whereas cyclosporine A, a P-gp and CYP3A inhibitor, significantly influenced the pharmacokinetics of co-administered docetaxel and clopidogrel. Orally administered Danshen had no substantial effect on the pharmacokinetics of docetaxel and clopidogrel, suggesting the negligible safety concern of Danshen in P-gp- and CYP3A-mediated interactions in vivo.},\n\tnumber = {1-2},\n\tjournal = {International Journal of Pharmaceutics},\n\tauthor = {Lee, Joo Hyun and Shin, Yong-Jun and Kim, Hye Jin and Oh, Ju-Hee and Jang, Young Pyo and Lee, Young-Joo},\n\tyear = {2011},\n\tkeywords = {Danshen; Docetaxel; Clopidogrel; Pharmacokinetic interaction; P-glycoprotein; Cytochrome P450 3A; AccuTOF},\n\tpages = {68--74},\n}\n\n\n\n
\n
\n\n\n
\n Danshen (Salvia miltiorrhiza) contains tanshinones, which inhibit P-glycoprotein (P-gp) and the cytochrome P450 (CYP) system. In the present study, we evaluated the possible pharmacokinetic interactions of Danshen extract with docetaxel and clopidogrel in rats. Docetaxel (5 mg/kg intravenously and 40 mg/kg orally) or clopidogrel (30 mg/kg orally) was administered to rats with or without oral co-administration of Danshen (400 mg/kg). Co-administration of Danshen did not affect the plasma concentration profiles and pharmacokinetic parameters of docetaxel and clopidogrel, whereas cyclosporine A, a P-gp and CYP3A inhibitor, significantly influenced the pharmacokinetics of co-administered docetaxel and clopidogrel. Orally administered Danshen had no substantial effect on the pharmacokinetics of docetaxel and clopidogrel, suggesting the negligible safety concern of Danshen in P-gp- and CYP3A-mediated interactions in vivo.\n
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\n \n\n \n \n \n \n \n \n Thin layer chromatography/mass spectrometry.\n \n \n \n \n\n\n \n Cheng, S.; Huang, M.; and Shiea, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1218(19): 2700–2711. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ThinPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cheng_thin_2011,\n\ttitle = {Thin layer chromatography/mass spectrometry},\n\tvolume = {1218},\n\turl = {http://dx.doi.org/10.1016/j.chroma.2011.01.077},\n\tabstract = {Thin layer chromatography (TLC)—a simple, cost-effective, and easy-to-operate planar chromatographic technique—has been used in general chemistry laboratories for several decades to routinely separate chemical and biochemical compounds. Traditionally, chemical and optical methods are employed to visualize the analyte spots on the TLC plate. Because direct identification and structural characterization of the analytes on the TLC plate through these methods are not possible, there has been long-held interest in the development of interfaces that allow TLC to be combined with mass spectrometry (MS)—one of the most efficient analytical tools for structural elucidation. So far, many different TLC–MS techniques have been reported in the literature; some are commercially available. According to differences in their operational processes, the existing TLC–MS systems can be classified into two categories: (i) indirect mass spectrometric analyses, performed by scraping, extracting, purifying, and concentrating the analyte from the TLC plate and then directing it into the mass spectrometer's ion source for further analysis; (ii) direct mass spectrometric analyses, where the analyte on the TLC plate is characterized directly through mass spectrometry without the need for scraping, extraction, or concentration processes. Conventionally, direct TLC–MS analysis is performed under vacuum, but the development of ambient mass spectrometry has allowed analytes on TLC plates to be characterized under atmospheric pressure. Thus, TLC–MS techniques can also be classified into two other categories according to the working environment of the ion source: vacuum-based TLC–MS or ambient TLC–MS. This review article describes the state of the art of TLC–MS techniques used for indirect and direct characterization of analytes on the surfaces of TLC plates.},\n\tnumber = {19},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Cheng, Sy-Chyi and Huang, Min-Zong and Shiea, Jentaie},\n\tyear = {2011},\n\tkeywords = {Review; TLC–MS; Ambient ionization; Vacuum-based ionization; Desorption/ionization; Direct sampling; Indirect sampling},\n\tpages = {2700--2711},\n}\n\n\n\n
\n
\n\n\n
\n Thin layer chromatography (TLC)—a simple, cost-effective, and easy-to-operate planar chromatographic technique—has been used in general chemistry laboratories for several decades to routinely separate chemical and biochemical compounds. Traditionally, chemical and optical methods are employed to visualize the analyte spots on the TLC plate. Because direct identification and structural characterization of the analytes on the TLC plate through these methods are not possible, there has been long-held interest in the development of interfaces that allow TLC to be combined with mass spectrometry (MS)—one of the most efficient analytical tools for structural elucidation. So far, many different TLC–MS techniques have been reported in the literature; some are commercially available. According to differences in their operational processes, the existing TLC–MS systems can be classified into two categories: (i) indirect mass spectrometric analyses, performed by scraping, extracting, purifying, and concentrating the analyte from the TLC plate and then directing it into the mass spectrometer's ion source for further analysis; (ii) direct mass spectrometric analyses, where the analyte on the TLC plate is characterized directly through mass spectrometry without the need for scraping, extraction, or concentration processes. Conventionally, direct TLC–MS analysis is performed under vacuum, but the development of ambient mass spectrometry has allowed analytes on TLC plates to be characterized under atmospheric pressure. Thus, TLC–MS techniques can also be classified into two other categories according to the working environment of the ion source: vacuum-based TLC–MS or ambient TLC–MS. This review article describes the state of the art of TLC–MS techniques used for indirect and direct characterization of analytes on the surfaces of TLC plates.\n
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\n \n\n \n \n \n \n \n \n Fast identification of phthalic acid esters in poly(vinyl chloride) samples by Direct Analysis In Real Time (DART) tandem mass spectrometry.\n \n \n \n \n\n\n \n Kuki, Á.; Nagy, L.; Zsuga, M.; and Kéki, S.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 303(2–3): 225–228. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"FastPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kuki_fast_2011,\n\ttitle = {Fast identification of phthalic acid esters in poly(vinyl chloride) samples by {Direct} {Analysis} {In} {Real} {Time} ({DART}) tandem mass spectrometry},\n\tvolume = {303},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380611000698},\n\tdoi = {10.1016/j.ijms.2011.02.011},\n\tabstract = {It was found that the collision energy/voltage necessary to obtain 50\\% fragmentation (CV50) was linearly dependent on the molecular weight of phthalic acid esters (PAEs). Based on this observation a fast screening technique for the detection of PAEs in poly vinyl chloride (PVC) samples was developed using Direct Analysis in Real Time (DART) ionization tandem mass spectrometry. Based on this observation an automated data acquisition method, including mass-dependent tuning of the collision energy/voltage in DART-MS/MS, was developed thereby reducing the analysis time.},\n\tnumber = {2–3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Kuki, Ákos and Nagy, Lajos and Zsuga, Miklós and Kéki, Sándor},\n\tyear = {2011},\n\tkeywords = {Direct Analysis in Real Time ionization (DART), Phthalic acid ester, Poly(vinyl chloride), Tandem mass spectrometry (MS/MS)},\n\tpages = {225--228},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n It was found that the collision energy/voltage necessary to obtain 50% fragmentation (CV50) was linearly dependent on the molecular weight of phthalic acid esters (PAEs). Based on this observation a fast screening technique for the detection of PAEs in poly vinyl chloride (PVC) samples was developed using Direct Analysis in Real Time (DART) ionization tandem mass spectrometry. Based on this observation an automated data acquisition method, including mass-dependent tuning of the collision energy/voltage in DART-MS/MS, was developed thereby reducing the analysis time.\n
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\n \n\n \n \n \n \n \n Analytical methods for the quantification of volatile aromatic compounds.\n \n \n \n\n\n \n Biniecka, M.; and Caroli, S.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry, 30(11): 1756–1770. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{biniecka_analytical_2011,\n\ttitle = {Analytical methods for the quantification of volatile aromatic compounds},\n\tvolume = {30},\n\tabstract = {The investigation of odorants is not an easy task, which needs to be undertaken in the context of fit-for-purpose quality systems. To date, great attention has been paid to determination of the volatile fractions of odorants, since they are responsible for the attributes of global flavor [i.e. a combination of olfactory (aroma) and gustatory (taste) sensations produced by chemicals]. This kind of determination can be carried out by analytical techniques [e.g., gas chromatography (GC) combined with mass spectrometry and/or olfactometric GC]. Methods complementary to GC analysis are available, allowing assessment of the olfactory impact by an electronic nose (e-nose) or a panel of selected individuals. Also, we consider some innovative analytical techniques to study the effects of odorants in food during consumption.},\n\tnumber = {11},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Biniecka, Małgorzata and Caroli, Sergio},\n\tyear = {2011},\n\tkeywords = {Analytical method; Electronic nose; Food odorant; Gas chromatography; Mass spectrometry; Odorant; Odorant determination; Olfactometric gas chromatography; Volatile aromatic compound},\n\tpages = {1756--1770},\n}\n\n\n\n
\n
\n\n\n
\n The investigation of odorants is not an easy task, which needs to be undertaken in the context of fit-for-purpose quality systems. To date, great attention has been paid to determination of the volatile fractions of odorants, since they are responsible for the attributes of global flavor [i.e. a combination of olfactory (aroma) and gustatory (taste) sensations produced by chemicals]. This kind of determination can be carried out by analytical techniques [e.g., gas chromatography (GC) combined with mass spectrometry and/or olfactometric GC]. Methods complementary to GC analysis are available, allowing assessment of the olfactory impact by an electronic nose (e-nose) or a panel of selected individuals. Also, we consider some innovative analytical techniques to study the effects of odorants in food during consumption.\n
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\n \n\n \n \n \n \n \n \n A rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by direct analysis in real-time mass spectrometry.\n \n \n \n \n\n\n \n Kim, S. W.; Kim, H. J.; Kim, J. H.; Kwon, Y. K.; Ahn, M. S.; Jang, Y. P.; and Liu, J. R\n\n\n \n\n\n\n Plant Methods, 7(1): 1–10. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_rapid_2011,\n\ttitle = {A rapid, simple method for the genetic discrimination of intact {Arabidopsis} thaliana mutant seeds using metabolic profiling by direct analysis in real-time mass spectrometry},\n\tvolume = {7},\n\tissn = {1746-4811},\n\turl = {http://www.plantmethods.com/content/7/1/14},\n\tdoi = {10.1186/1746-4811-7-14},\n\tabstract = {Background  \nEfficient high throughput screening systems of useful mutants are prerequisite for study of plant functional genomics and lots of application fields. Advance in such screening tools, thanks to the development of analytic instruments. Direct analysis in real-time (DART)-mass spectrometry (MS) by ionization of complex materials at atmospheric pressure is a rapid, simple, high-resolution analytical technique. Here we describe a rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by DART-MS.\n\nResults  \nTo determine whether this DART-MS combined by multivariate analysis can perform genetic discrimination based on global metabolic profiling, intact Arabidopsis thaliana mutant seeds were subjected to DART-MS without any sample preparation. Partial least squares-discriminant analysis (PLS-DA) of DART-MS spectral data from intact seeds classified 14 different lines of seeds into two distinct groups: Columbia (Col-0) and Landsberg erecta (Ler) ecotype backgrounds. A hierarchical dendrogram based on partial least squares-discriminant analysis (PLS-DA) subdivided the Col-0 ecotype into two groups: mutant lines harboring defects in the phenylpropanoid biosynthetic pathway and mutants without these defects. These results indicated that metabolic profiling with DART-MS could discriminate intact Arabidopsis seeds at least ecotype level and metabolic pathway level within same ecotype.\n\nConclusion  \nThe described DART-MS combined by multivariate analysis allows for rapid screening and metabolic characterization of lots of Arabidopsis mutant seeds without complex metabolic preparation steps. Moreover, potential novel metabolic markers can be detected and used to clarify the genetic relationship between Arabidopsis cultivars. Furthermore this technique can be applied to predict the novel gene function of metabolic mutants regardless of morphological phenotypes.},\n\tnumber = {1},\n\tjournal = {Plant Methods},\n\tauthor = {Kim, Suk Weon and Kim, Hye Jin and Kim, Jong Hyun and Kwon, Yong Kook and Ahn, Myung Suk and Jang, Young Pyo and Liu, Jang R},\n\tyear = {2011},\n\tkeywords = {Arabidopsis thaliana; Direct analysis in real-time mass spectrometry (DART-MS); partial least squares-discriminant analysis (PLS-DA); seed; AccuTOF},\n\tpages = {1--10},\n}\n\n\n\n
\n
\n\n\n
\n Background Efficient high throughput screening systems of useful mutants are prerequisite for study of plant functional genomics and lots of application fields. Advance in such screening tools, thanks to the development of analytic instruments. Direct analysis in real-time (DART)-mass spectrometry (MS) by ionization of complex materials at atmospheric pressure is a rapid, simple, high-resolution analytical technique. Here we describe a rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by DART-MS. Results To determine whether this DART-MS combined by multivariate analysis can perform genetic discrimination based on global metabolic profiling, intact Arabidopsis thaliana mutant seeds were subjected to DART-MS without any sample preparation. Partial least squares-discriminant analysis (PLS-DA) of DART-MS spectral data from intact seeds classified 14 different lines of seeds into two distinct groups: Columbia (Col-0) and Landsberg erecta (Ler) ecotype backgrounds. A hierarchical dendrogram based on partial least squares-discriminant analysis (PLS-DA) subdivided the Col-0 ecotype into two groups: mutant lines harboring defects in the phenylpropanoid biosynthetic pathway and mutants without these defects. These results indicated that metabolic profiling with DART-MS could discriminate intact Arabidopsis seeds at least ecotype level and metabolic pathway level within same ecotype. Conclusion The described DART-MS combined by multivariate analysis allows for rapid screening and metabolic characterization of lots of Arabidopsis mutant seeds without complex metabolic preparation steps. Moreover, potential novel metabolic markers can be detected and used to clarify the genetic relationship between Arabidopsis cultivars. Furthermore this technique can be applied to predict the novel gene function of metabolic mutants regardless of morphological phenotypes.\n
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\n \n\n \n \n \n \n \n \n Analysis of Alprazolam by DART-TOF Mass Spectrometry in Counterfeit and Routine Drug Identification Cases.\n \n \n \n \n\n\n \n Samms, W. C.; Jiang, Y. J.; Dixon, M. D.; Houck, S. S.; and Mozayani, A.\n\n\n \n\n\n\n Journal of Forensic Sciences, 56(4): 993–998. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{samms_analysis_2011,\n\ttitle = {Analysis of {Alprazolam} by {DART}-{TOF} {Mass} {Spectrometry} in {Counterfeit} and {Routine} {Drug} {Identification} {Cases}},\n\tvolume = {56},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2011.01767.x},\n\tdoi = {10.1111/j.1556-4029.2011.01767.x},\n\tabstract = {Abstract:  The high prevalence of alprazolam abuse translates to an increased workload for crime laboratories in characterizing seized tablets. These tablets may originate as diverted pharmaceuticals or counterfeited mimics, so efficient analytical techniques should provide confirmatory data while minimizing destruction of evidence. We offer the first report of a validated forensic method for confirming alprazolam tablets by direct analysis in real time–time of flight (DART-TOF) mass spectrometric analysis. This technique provides rapid identification of target analytes with minimal sample preparation, allowing direct analysis in the atmospheric sample gap. Selectivity is achieved through high resolution and mass accuracy, unique ion fragments, and chlorine isotopic ratios. This method utilizes fragmentation in two separate voltage functions to observe the alprazolam pseudo molecular ion at 309.09070 using 40 V and major ion fragments of 281.07197 and 205.07657 at 120 V. These parameters allow our laboratory to confirm alprazolam tablets efficiently, without compromising quality forensic standards.},\n\tnumber = {4},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Samms, Warren C. and Jiang, Yongyi Julia and Dixon, Mark D. and Houck, Stephen S. and Mozayani, Ashraf},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Direct analysis in real time, alprazolam, confirmation, controlled substances, counterfeit, forensic science},\n\tpages = {993--998},\n}\n\n\n\n
\n
\n\n\n
\n Abstract:  The high prevalence of alprazolam abuse translates to an increased workload for crime laboratories in characterizing seized tablets. These tablets may originate as diverted pharmaceuticals or counterfeited mimics, so efficient analytical techniques should provide confirmatory data while minimizing destruction of evidence. We offer the first report of a validated forensic method for confirming alprazolam tablets by direct analysis in real time–time of flight (DART-TOF) mass spectrometric analysis. This technique provides rapid identification of target analytes with minimal sample preparation, allowing direct analysis in the atmospheric sample gap. Selectivity is achieved through high resolution and mass accuracy, unique ion fragments, and chlorine isotopic ratios. This method utilizes fragmentation in two separate voltage functions to observe the alprazolam pseudo molecular ion at 309.09070 using 40 V and major ion fragments of 281.07197 and 205.07657 at 120 V. These parameters allow our laboratory to confirm alprazolam tablets efficiently, without compromising quality forensic standards.\n
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\n \n\n \n \n \n \n \n \n Rapid identification and absence of drug tests for AG-013736 in 1 mg Axitinib tablets by ion mobility spectrometry and DART™ mass spectrometry.\n \n \n \n \n\n\n \n Likar, M. D.; Cheng, G.; Mahajan, N.; and Zhang, Z.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 55(3): 569–573. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{likar_rapid_2011,\n\ttitle = {Rapid identification and absence of drug tests for {AG}-013736 in 1 mg {Axitinib} tablets by ion mobility spectrometry and {DART}™ mass spectrometry},\n\tvolume = {55},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708511001099},\n\tdoi = {10.1016/j.jpba.2011.02.021},\n\tabstract = {Axitinib (AG-013736) is a potent investigational drug that has antitumor activity in patients with metastatic renal cell carcinoma and other types of cancers. In this study, ion mobility spectrometry and “direct analysis in real time” (DART™) mass spectrometry were used to rapidly identify AG-013736 in drug substance samples and 1\\&\\#xa0;mg Axitinib tablets. The plasmagrams of the sample solutions exhibited a major peak with a reduced ion mobility that was within ±0.0002\\&\\#xa0;cm2\\&\\#xa0;V−1\\&\\#xa0;s−1 of that for AG-013736 in an external reference standard solution. The DART ionization source was coupled with both a time-of-flight mass spectrometer and a lower-resolution ion trap mass spectrometer. Samples were analyzed by this technique in as little as 5\\&\\#xa0;s with minimal to no sample preparation required. The isotopic masses of the protonated dimer ions of AG-013736 were used to identify AG-013736 in the active tablet. Both techniques were also used to develop low-level limit tests for rapidly verifying the presence or absence of AG-013736 in blinded clinical supplies of active and matching placebo tablets of Axitinib.},\n\tnumber = {3},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Likar, Michael D. and Cheng, Guilong and Mahajan, Nidhi and Zhang, Zhongli},\n\tyear = {2011},\n\tkeywords = {Axitinib, Direct analysis in real time, Ion mobility spectrometry, Ion mobility spectrometry; Direct analysis in real time; Mass spectrometry; Axitinib; AccuTOF, mass spectrometry},\n\tpages = {569--573},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n Axitinib (AG-013736) is a potent investigational drug that has antitumor activity in patients with metastatic renal cell carcinoma and other types of cancers. In this study, ion mobility spectrometry and “direct analysis in real time” (DART™) mass spectrometry were used to rapidly identify AG-013736 in drug substance samples and 1 mg Axitinib tablets. The plasmagrams of the sample solutions exhibited a major peak with a reduced ion mobility that was within ±0.0002 cm2 V−1 s−1 of that for AG-013736 in an external reference standard solution. The DART ionization source was coupled with both a time-of-flight mass spectrometer and a lower-resolution ion trap mass spectrometer. Samples were analyzed by this technique in as little as 5 s with minimal to no sample preparation required. The isotopic masses of the protonated dimer ions of AG-013736 were used to identify AG-013736 in the active tablet. Both techniques were also used to develop low-level limit tests for rapidly verifying the presence or absence of AG-013736 in blinded clinical supplies of active and matching placebo tablets of Axitinib.\n
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\n \n\n \n \n \n \n \n \n Some new features of Direct Analysis in Real Time mass spectrometry utilizing the desorption at an angle option.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Revelsky, A. I.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(16): 2275–2282. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SomePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_new_2011,\n\ttitle = {Some new features of {Direct} {Analysis} in {Real} {Time} mass spectrometry utilizing the desorption at an angle option},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5112},\n\tdoi = {10.1002/rcm.5112},\n\tabstract = {The present study is a first step towards the unexplored capabilities of Direct Analysis in Real Time (DART) mass spectrometry (MS) arising from the possibility of the desorption at an angle: scanning analysis of surfaces, including the coupling of thin-layer chromatography (TLC) with DART-MS, and a more sensitive analysis due to the preliminary concentration of analytes dissolved in large volumes of liquids on glass surfaces. In order to select the most favorable conditions for DART-MS analysis, proper positioning of samples is important. Therefore, a simple and cheap technique for the visualization of the impact region of the DART gas stream onto a substrate was developed. A filter paper or TLC plate, previously loaded with the analyte, was immersed in a derivatization solution. On this substrate, owing to the impact of the hot DART gas, reaction of the analyte to a colored product occurred. An improved capability of detection of DART-MS for the analysis of liquids was demonstrated by applying large volumes of model solutions of coumaphos into small glass vessels and drying these solutions prior to DART-MS analysis under ambient conditions. This allowed the introduction of, by up to more than two orders of magnitude, increased quantities of analyte compared with the conventional DART-MS analysis of liquids. Through this improved detectability, the capabilities of DART-MS in trace analysis could be strengthened. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {16},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Revelsky, Alexander I. and Morlock, Gertrud E.},\n\tyear = {2011},\n\tkeywords = {Agilent Quad},\n\tpages = {2275--2282},\n}\n\n\n\n
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\n\n\n
\n The present study is a first step towards the unexplored capabilities of Direct Analysis in Real Time (DART) mass spectrometry (MS) arising from the possibility of the desorption at an angle: scanning analysis of surfaces, including the coupling of thin-layer chromatography (TLC) with DART-MS, and a more sensitive analysis due to the preliminary concentration of analytes dissolved in large volumes of liquids on glass surfaces. In order to select the most favorable conditions for DART-MS analysis, proper positioning of samples is important. Therefore, a simple and cheap technique for the visualization of the impact region of the DART gas stream onto a substrate was developed. A filter paper or TLC plate, previously loaded with the analyte, was immersed in a derivatization solution. On this substrate, owing to the impact of the hot DART gas, reaction of the analyte to a colored product occurred. An improved capability of detection of DART-MS for the analysis of liquids was demonstrated by applying large volumes of model solutions of coumaphos into small glass vessels and drying these solutions prior to DART-MS analysis under ambient conditions. This allowed the introduction of, by up to more than two orders of magnitude, increased quantities of analyte compared with the conventional DART-MS analysis of liquids. Through this improved detectability, the capabilities of DART-MS in trace analysis could be strengthened. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Detection of illicit drugs on surfaces using direct analysis in real time (DART) time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Grange, A. H.; and Sovocool, G. W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(9): 1271–1281. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{grange_detection_2011,\n\ttitle = {Detection of illicit drugs on surfaces using direct analysis in real time ({DART}) time-of-flight mass spectrometry},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5009},\n\tdoi = {10.1002/rcm.5009},\n\tabstract = {Methamphetamine (meth) from meth syntheses or habitual meth smoking deposited on household surfaces poses human health hazards. The U.S. State Departments of Health require decontamination of sites where meth was synthesized (meth labs) before they are sold. National Institute for Occupational Safety and Health (NIOSH) methods for meth analysis require wipe sampling, extraction, clean-up, solvent exchange, derivatization, and/or mass spectral analysis using selected ion monitoring. Rapid and inexpensive analyses could screen for drug-contamination within structures with greater spatial resolution, provide real-time analyses during decontamination, and provide thorough documentation of successful clean ups. Herein an autosampler/open-air ion source time-of-flight mass spectrometric technique is described that required only direct sampling using cotton-swab wipes. Each wipe sample collection required 2 min and data acquisition required only 13 s per sample. Optimum collision-induced dissociation voltages, desorption gas temperatures, and wipe sample solvents were determined for 11 drugs. Peaks were observed in analyte-ion traces for 0.025 µg/100 cm2 of meth and seven other drugs. This level is half the detection limit of NIOSH methods and one-fourth of the lowest U.S. state decontamination limit for meth. Dynamic ranges of 100 in concentration were demonstrated for eight drugs, which is sufficient for a screening technique. The volatilities of 11 drugs deposited on glass were determined. The pick up of the drugs by solvent-soaked cotton-swab wipes from glass relative to acrylic latex paint was also compared. Published in 2011 by John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H. and Sovocool, G. Wayne},\n\tyear = {2011},\n\tpages = {1271--1281},\n}\n\n\n\n
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\n Methamphetamine (meth) from meth syntheses or habitual meth smoking deposited on household surfaces poses human health hazards. The U.S. State Departments of Health require decontamination of sites where meth was synthesized (meth labs) before they are sold. National Institute for Occupational Safety and Health (NIOSH) methods for meth analysis require wipe sampling, extraction, clean-up, solvent exchange, derivatization, and/or mass spectral analysis using selected ion monitoring. Rapid and inexpensive analyses could screen for drug-contamination within structures with greater spatial resolution, provide real-time analyses during decontamination, and provide thorough documentation of successful clean ups. Herein an autosampler/open-air ion source time-of-flight mass spectrometric technique is described that required only direct sampling using cotton-swab wipes. Each wipe sample collection required 2 min and data acquisition required only 13 s per sample. Optimum collision-induced dissociation voltages, desorption gas temperatures, and wipe sample solvents were determined for 11 drugs. Peaks were observed in analyte-ion traces for 0.025 µg/100 cm2 of meth and seven other drugs. This level is half the detection limit of NIOSH methods and one-fourth of the lowest U.S. state decontamination limit for meth. Dynamic ranges of 100 in concentration were demonstrated for eight drugs, which is sufficient for a screening technique. The volatilities of 11 drugs deposited on glass were determined. The pick up of the drugs by solvent-soaked cotton-swab wipes from glass relative to acrylic latex paint was also compared. Published in 2011 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Identification and semi-quantitative analysis of parabens and UV filters in cosmetic products by direct-analysis-in-real-time mass spectrometry and gas chromatography with mass spectrometric detection.\n \n \n \n \n\n\n \n Haunschmidt, M.; Buchberger, W.; Klampfl, C. W.; and Hertsens, R.\n\n\n \n\n\n\n Anal. Methods, 3(1): 99–104. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_identification_2011,\n\ttitle = {Identification and semi-quantitative analysis of parabens and {UV} filters in cosmetic products by direct-analysis-in-real-time mass spectrometry and gas chromatography with mass spectrometric detection},\n\tvolume = {3},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C0AY00588F},\n\tabstract = {A method based on direct-analysis-in-real-time mass spectrometry (DART-MS) for the qualitative and semi-quantitative analysis of eight organic UV filters and four parabens in twelve cosmetic products with substantially different formulations (as cream, milk, lotion, oil, lipstick) was developed. All tested substances could be identified unambiguously in the investigated samples without any sample pre-treatment. Direct analysis of cosmetic products allows semi-quantitative determination of parabens. For UV filters no satisfactory results were obtained by direct analysis but all analytes could be quantified by simply dissolving the samples in methanol, addition of an internal standard and subsequent measurement of the solution by DART-MS without further pre-treatment. The results obtained using DART-MS were confirmed by a more established method namely gas chromatography with mass spectrometric detection (GC-MS).},\n\tnumber = {1},\n\tjournal = {Anal. Methods},\n\tauthor = {Haunschmidt, Manuela and Buchberger, Wolfgang and Klampfl, Christian W. and Hertsens, Robert},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {99--104},\n}\n\n\n\n
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\n A method based on direct-analysis-in-real-time mass spectrometry (DART-MS) for the qualitative and semi-quantitative analysis of eight organic UV filters and four parabens in twelve cosmetic products with substantially different formulations (as cream, milk, lotion, oil, lipstick) was developed. All tested substances could be identified unambiguously in the investigated samples without any sample pre-treatment. Direct analysis of cosmetic products allows semi-quantitative determination of parabens. For UV filters no satisfactory results were obtained by direct analysis but all analytes could be quantified by simply dissolving the samples in methanol, addition of an internal standard and subsequent measurement of the solution by DART-MS without further pre-treatment. The results obtained using DART-MS were confirmed by a more established method namely gas chromatography with mass spectrometric detection (GC-MS).\n
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\n \n\n \n \n \n \n \n Direct Identification of Dyes in Textiles by Direct Analysis in Real Time-Time of Flight Mass Spectrometry.\n \n \n \n\n\n \n Deroo, C. S.; and Armitage, R. A.\n\n\n \n\n\n\n Analytical Chemistry, 83(18): 6924–6928. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{deroo_direct_2011,\n\ttitle = {Direct {Identification} of {Dyes} in {Textiles} by {Direct} {Analysis} in {Real} {Time}-{Time} of {Flight} {Mass} {Spectrometry}},\n\tvolume = {83},\n\tdoi = {10.1021/ac201747s},\n\tabstract = {We present here a method requiring no sample preparation for direct identification of the organic dye compounds quercetin, indigotin, and alizarin in reference materials, in solution, and also in situ in dyed fibers by use of direct analysis in real time (DART) ionization and high-resolution time-of-flight mass spectrometry. Exact mass determinations on small samples of dyed textiles were completed in less than 1 min. With the ability to identify flavonoid, indigoid, and anthraquinone classes of dyes, this technique shows early promise as an additional analytical tool in the challenging analysis of organic dyes in rare cultural heritage materials and possesses the unique advantages of sensitivity and simplicity without the preparatory procedures required by other methods.},\n\tnumber = {18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Deroo, Cathy Selvius and Armitage, Ruth Ann},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {6924--6928},\n}\n\n\n\n
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\n We present here a method requiring no sample preparation for direct identification of the organic dye compounds quercetin, indigotin, and alizarin in reference materials, in solution, and also in situ in dyed fibers by use of direct analysis in real time (DART) ionization and high-resolution time-of-flight mass spectrometry. Exact mass determinations on small samples of dyed textiles were completed in less than 1 min. With the ability to identify flavonoid, indigoid, and anthraquinone classes of dyes, this technique shows early promise as an additional analytical tool in the challenging analysis of organic dyes in rare cultural heritage materials and possesses the unique advantages of sensitivity and simplicity without the preparatory procedures required by other methods.\n
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\n \n\n \n \n \n \n \n \n Rapid screening for synthetic antidiabetic drug adulteration in herbal dietary supplements using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Zhou, Z.; Zhang, J.; Zhang, W.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analyst, 136(12): 2613–2618. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhou_rapid_2011,\n\ttitle = {Rapid screening for synthetic antidiabetic drug adulteration in herbal dietary supplements using direct analysis in real time mass spectrometry},\n\tvolume = {136},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C0AN01047B},\n\tabstract = {Adulteration of herbal supplements with synthetic drugs is illegal. A rapid and reliable method which utilizes direct analysis in real time mass spectrometry (DART-MS) was developed for the identification of seven synthetic antidiabetic drugs used as adulterants in herbal dietary supplements. The supplement sample was simply extracted with methanol/water by manually shaking several times and directly analyzed using DART-MS. The presence of synthetic drug adulterants was confirmed through the accurate m/z values and MS/MS data obtained via quadruple time of flight mass spectrometry (QTOF MS). Parameters for the DART source were systematically optimized, and the limits of detection (LODs) in herbal supplement matrices were measured. This method was successfully applied to examine five commercial herbal dietary supplements, and two of them proved to be adulterated with metformin without labeling.},\n\tnumber = {12},\n\tjournal = {Analyst},\n\tauthor = {Zhou, Zhigui and Zhang, Jialing and Zhang, Wei and Bai, Yu and Liu, Huwei},\n\tyear = {2011},\n\tpages = {2613--2618},\n}\n\n\n\n
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\n Adulteration of herbal supplements with synthetic drugs is illegal. A rapid and reliable method which utilizes direct analysis in real time mass spectrometry (DART-MS) was developed for the identification of seven synthetic antidiabetic drugs used as adulterants in herbal dietary supplements. The supplement sample was simply extracted with methanol/water by manually shaking several times and directly analyzed using DART-MS. The presence of synthetic drug adulterants was confirmed through the accurate m/z values and MS/MS data obtained via quadruple time of flight mass spectrometry (QTOF MS). Parameters for the DART source were systematically optimized, and the limits of detection (LODs) in herbal supplement matrices were measured. This method was successfully applied to examine five commercial herbal dietary supplements, and two of them proved to be adulterated with metformin without labeling.\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry employing a DART ion source for metabolomic fingerprinting/profiling: a powerful tool for beer origin recognition.\n \n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Metabolomics, 7(4): 500–508. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cajka_ambient_2011,\n\ttitle = {Ambient mass spectrometry employing a {DART} ion source for metabolomic fingerprinting/profiling: a powerful tool for beer origin recognition},\n\tvolume = {7},\n\tissn = {1573-3882},\n\turl = {http://dx.doi.org/10.1007/s11306-010-0266-z},\n\tdoi = {10.1007/s11306-010-0266-z},\n\tabstract = {A metabolomic fingerprinting/profiling generated by ambient mass spectrometry (MS) employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) was employed as a tool for beer origin recognition. In a first step, the DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in beer samples (direct measurement, no sample preparation). In the next step, metabolomic profiles (mass spectra) of a large set of different beer brands (Trappist and non-Trappist specialty beers) were acquired. In the final phase, the experimental data were analyzed using partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) with the aim of distinguishing (i) the beers labeled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. The best prediction ability was obtained for the model that distinguished the group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided ≥95\\% correct classification. The current study showed that DART–TOFMS metabolomic fingerprinting/profiling is a powerful analytical strategy enabling quality monitoring/authenticity assessment to be conducted in real time.},\n\tnumber = {4},\n\tjournal = {Metabolomics},\n\tauthor = {Cajka, Tomas and Riddellova, Katerina and Tomaniova, Monika and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {Beer; Authenticity; Traceability; Direct analysis in real time; Mass spectrometry; Multivariate analysis; Metabolomic fingerprinting/profiling; AccuTOF},\n\tpages = {500--508},\n}\n\n\n\n
\n
\n\n\n
\n A metabolomic fingerprinting/profiling generated by ambient mass spectrometry (MS) employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) was employed as a tool for beer origin recognition. In a first step, the DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in beer samples (direct measurement, no sample preparation). In the next step, metabolomic profiles (mass spectra) of a large set of different beer brands (Trappist and non-Trappist specialty beers) were acquired. In the final phase, the experimental data were analyzed using partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) with the aim of distinguishing (i) the beers labeled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. The best prediction ability was obtained for the model that distinguished the group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided ≥95% correct classification. The current study showed that DART–TOFMS metabolomic fingerprinting/profiling is a powerful analytical strategy enabling quality monitoring/authenticity assessment to be conducted in real time.\n
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\n \n\n \n \n \n \n \n Structural Elucidation of Direct Analysis in Real Time Ionized Nerve Agent Simulants with Infrared Multiple Photon Dissociation Spectroscopy.\n \n \n \n\n\n \n Rummel, J. L.; Steill, J. D.; Oomens, J.; Contreras, C. S.; Pearson, W. L.; Szczepanski, J.; Powell, D. H.; and Eyler, J. R.\n\n\n \n\n\n\n Analytical Chemistry, 83(11): 4045–4052. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rummel_structural_2011,\n\ttitle = {Structural {Elucidation} of {Direct} {Analysis} in {Real} {Time} {Ionized} {Nerve} {Agent} {Simulants} with {Infrared} {Multiple} {Photon} {Dissociation} {Spectroscopy}},\n\tvolume = {83},\n\tdoi = {10.1021/ac102973a},\n\tabstract = {Infrared multiple photon dissociation (IRMPD) was used to generate vibrational spectra of ions produced with a direct analysis in real time (DART) ionization source coupled to a 4.7 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The location of protonation on the nerve agent simulants diisopropyl methylphosphonate (DIMP) and dimethyl methylphosphonate (DMMP) was studied while solutions of the compounds were introduced for extended periods of time with a syringe pump. Theoretical vibrational spectra were generated with density functional theory calculations. Visual comparison of experimental mid-IR IRMPD spectra and theoretical spectra could not establish definitively if a single structure or a mixture of conformations was present for the protonated parent of each compound. However, theoretical calculations, near-ir IRMPD spectra, and frequency-to-frequency and statistical comparisons indicated that the protonation site for both DIMP and DMMP was predominantly, if not exclusively, the phosphonyl oxygen instead of one of the oxygen atoms with only single bonds.},\n\tnumber = {11},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Rummel, Julia L. and Steill, Jeffrey D. and Oomens, Jos and Contreras, Cesar S. and Pearson, Wright L. and Szczepanski, Jan and Powell, David H. and Eyler, John R.},\n\tyear = {2011},\n\tkeywords = {DART, FT-ICR, nerve agents},\n\tpages = {4045--4052},\n}\n\n\n\n
\n
\n\n\n
\n Infrared multiple photon dissociation (IRMPD) was used to generate vibrational spectra of ions produced with a direct analysis in real time (DART) ionization source coupled to a 4.7 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The location of protonation on the nerve agent simulants diisopropyl methylphosphonate (DIMP) and dimethyl methylphosphonate (DMMP) was studied while solutions of the compounds were introduced for extended periods of time with a syringe pump. Theoretical vibrational spectra were generated with density functional theory calculations. Visual comparison of experimental mid-IR IRMPD spectra and theoretical spectra could not establish definitively if a single structure or a mixture of conformations was present for the protonated parent of each compound. However, theoretical calculations, near-ir IRMPD spectra, and frequency-to-frequency and statistical comparisons indicated that the protonation site for both DIMP and DMMP was predominantly, if not exclusively, the phosphonyl oxygen instead of one of the oxygen atoms with only single bonds.\n
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\n \n\n \n \n \n \n \n Utilizing DART Mass Spectrometry to Pinpoint Halogenated Metabolites from a Marine Invertebrate-Derived Fungus.\n \n \n \n\n\n \n Watts, K. R.; Loveridge, S. T.; Tenney, K.; Media, J.; Valeriote, F. A.; and Crews, P.\n\n\n \n\n\n\n Journal of Organic Chemistry, 76(15): 6201–6208. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{watts_utilizing_2011,\n\ttitle = {Utilizing {DART} {Mass} {Spectrometry} to {Pinpoint} {Halogenated} {Metabolites} from a {Marine} {Invertebrate}-{Derived} {Fungus}},\n\tvolume = {76},\n\tabstract = {Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using Direct Analysis in\nReal Time (DART) Mass Spectrometry, these compounds were initially detected from spores of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogs, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.},\n\tnumber = {15},\n\tjournal = {Journal of Organic Chemistry},\n\tauthor = {Watts, Katharine R. and Loveridge, Steven T. and Tenney, Karen and Media, Joseph and Valeriote, Frederick A. and Crews, Phillip},\n\tyear = {2011},\n\tpages = {6201--6208},\n}\n\n\n\n
\n
\n\n\n
\n Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using Direct Analysis in Real Time (DART) Mass Spectrometry, these compounds were initially detected from spores of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogs, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.\n
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\n \n\n \n \n \n \n \n \n High-performance liquid chromatography coupled to direct analysis in real time mass spectrometry: Investigations on gradient elution and influence of complex matrices on signal intensities.\n \n \n \n \n\n\n \n Beißmann, S.; Buchberger, W.; Hertsens, R.; and Klampfl, C. W.\n\n\n \n\n\n\n Journal of Chromatography A, 1218(31): 5180–5186. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"High-performancePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{beismann_high-performance_2011,\n\ttitle = {High-performance liquid chromatography coupled to direct analysis in real time mass spectrometry: {Investigations} on gradient elution and influence of complex matrices on signal intensities},\n\tvolume = {1218},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967311007692},\n\tdoi = {10.1016/j.chroma.2011.05.092},\n\tnumber = {31},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Beißmann, Susanne and Buchberger, Wolfgang and Hertsens, Robert and Klampfl, Christian W.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time, HPLC, Hyphenated methods},\n\tpages = {5180--5186},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Coupled to Multiplexed Drift Tube Ion Mobility Spectrometry for Detecting Toxic Chemicals.\n \n \n \n \n\n\n \n Harris, G. A.; Kwasnik, M.; and Fernández, F. M.\n\n\n \n\n\n\n Anal. Chem., 83(6): 1908–1915. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{harris_direct_2011,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Coupled} to {Multiplexed} {Drift} {Tube} {Ion} {Mobility} {Spectrometry} for {Detecting} {Toxic} {Chemicals}},\n\tvolume = {83},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac102246h},\n\tdoi = {10.1021/ac102246h},\n\tabstract = {Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95\\% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81\\% v/v for DMMP, 1.13\\% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28\\% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.\nCurrent and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95\\% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81\\% v/v for DMMP, 1.13\\% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28\\% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.},\n\tnumber = {6},\n\tjournal = {Anal. Chem.},\n\tauthor = {Harris, Glenn A. and Kwasnik, Mark and Fernández, Facundo M.},\n\tyear = {2011},\n\tpages = {1908--1915},\n}\n\n\n\n
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\n Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81% v/v for DMMP, 1.13% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections. Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81% v/v for DMMP, 1.13% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.\n
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\n \n\n \n \n \n \n \n \n Ambient desorption ionization mass spectrometry (DART, DESI) and its bioanalytical applications.\n \n \n \n \n\n\n \n Morlock, G.\n\n\n \n\n\n\n Bioanalytical Reviews, 3(1): 1–9. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{morlock_ambient_2011,\n\ttitle = {Ambient desorption ionization mass spectrometry ({DART}, {DESI}) and its bioanalytical applications},\n\tvolume = {3},\n\tissn = {1867-2086},\n\turl = {http://dx.doi.org/10.1007/s12566-010-0019-5},\n\tdoi = {10.1007/s12566-010-0019-5},\n\tabstract = {In recent years, ambient desorption ionization techniques for mass spectrometry were introduced. Among them, the most established techniques are Direct Analysis in Real Time (DART) and Desorption Electrospray Ionization (DESI). Therefore, the current review focuses on the bioanalytical applications of ambient desorption ionization techniques by the example of DART and DESI mass spectrometry. The potential and also limitations of both ambient mass spectrometry (MS) techniques in such areas, as identification and quantitation of small molecules, coupling DART-MS and DESI-MS with planar chromatography, protein/peptide analysis, as well as molecular imaging applications, are discussed.},\n\tnumber = {1},\n\tjournal = {Bioanalytical Reviews},\n\tauthor = {Morlock, Gertrud},\n\tyear = {2011},\n\tkeywords = {Ambient mass spectrometry, Bioanalytical methods, Chemistry and Materials Science, Desorption electrospray ionization – DESI, Direct analysis in real time – DART, identification, quantitation},\n\tpages = {1--9},\n}\n\n\n\n
\n
\n\n\n
\n In recent years, ambient desorption ionization techniques for mass spectrometry were introduced. Among them, the most established techniques are Direct Analysis in Real Time (DART) and Desorption Electrospray Ionization (DESI). Therefore, the current review focuses on the bioanalytical applications of ambient desorption ionization techniques by the example of DART and DESI mass spectrometry. The potential and also limitations of both ambient mass spectrometry (MS) techniques in such areas, as identification and quantitation of small molecules, coupling DART-MS and DESI-MS with planar chromatography, protein/peptide analysis, as well as molecular imaging applications, are discussed.\n
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\n \n\n \n \n \n \n \n Ambient ionization mass spectrometry: A tutorial.\n \n \n \n\n\n \n Huang, M.; Cheng, S.; Cho, Y.; and Shiea, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 702(1): 1–15. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{huang_ambient_2011,\n\ttitle = {Ambient ionization mass spectrometry: {A} tutorial},\n\tvolume = {702},\n\tabstract = {Ambient ionization is a set of mass spectrometric ionization techniques performed under ambient conditions that allows the direct analysis of sample surfaces with little or no sample pretreatment. Using combinations of different types of sample introduction systems and ionization methods, several novel techniques have been developed over the last few years with many applications (e.g., food safety screening; detection of pharmaceuticals and drug abuse; monitoring of environmental pollutants; detection of explosives for antiterrorism and forensics; characterization of biological compounds for proteomics and metabolomics; molecular imaging analysis; and monitoring chemical and biochemical reactions). Electrospray ionization and atmospheric pressure chemical ionization are the two main ionization principles most commonly used in ambient ionization mass spectrometry. This tutorial paper provides a review of the publications related to ambient ionization techniques. We describe and compare the underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques.},\n\tnumber = {1},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Huang, Min-Zong and Cheng, Sy-Chi and Cho, Yi-Tzu and Shiea, Jentaie},\n\tyear = {2011},\n\tkeywords = {review; Ambient; Desorption/ionization; Two-step ionization; Electrospray ionization; Atmospheric pressure chemical ionization},\n\tpages = {1--15},\n}\n\n\n\n
\n
\n\n\n
\n Ambient ionization is a set of mass spectrometric ionization techniques performed under ambient conditions that allows the direct analysis of sample surfaces with little or no sample pretreatment. Using combinations of different types of sample introduction systems and ionization methods, several novel techniques have been developed over the last few years with many applications (e.g., food safety screening; detection of pharmaceuticals and drug abuse; monitoring of environmental pollutants; detection of explosives for antiterrorism and forensics; characterization of biological compounds for proteomics and metabolomics; molecular imaging analysis; and monitoring chemical and biochemical reactions). Electrospray ionization and atmospheric pressure chemical ionization are the two main ionization principles most commonly used in ambient ionization mass spectrometry. This tutorial paper provides a review of the publications related to ambient ionization techniques. We describe and compare the underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time coupled with dried spot sampling for bioanalysis in a drug-discovery setting.\n \n \n \n \n\n\n \n Crawford, E.; Gordon, J.; Wu, J.; Musselman, B.; Liu, R.; and Yu, S.\n\n\n \n\n\n\n Bioanalysis, 3(11): 1217–1226. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{crawford_direct_2011,\n\ttitle = {Direct analysis in real time coupled with dried spot sampling for bioanalysis in a drug-discovery setting},\n\tvolume = {3},\n\tissn = {1757-6180},\n\turl = {http://dx.doi.org/10.4155/bio.11.99},\n\tdoi = {10.4155/bio.11.99},\n\tabstract = {Background: Conventional mouse or rat pharmacokinetic/toxicokinetic (PK/TK) studies frequently require sacrifice or use of multiple animals for a full time-course in order to obtain adequate blood volume. Currently accepted LC–MS/MS analyses require tedious sample preparation and large blood volume, therefore, a bioanalytical method with a simpler blood-sampling procedure using fewer animals, lower sample volume and no additional sample preparation is desirable. Results: We have developed a method that combines the direct analysis in real time (DART) open-air ambient ionization source and MS/MS to directly analyze dried blood spots (DBS) on glass from low volume whole blood samples without additional sample preparation or manipulation of the spots. Single mouse serial bleeding was performed for sample collection for DART-MS/MS and the results were comparable to the conventional terminal bleeding method for LC–MS/MS. Conclusion: The DART-MS/MS method was applied to DBS sampling for PK/TK studies and also for in vitro screening of absorption, distribution, metabolism and excretion properties. The results from the DART-MS/MS approach correlated well with the LC–MS/MS analyses for comparison.},\n\tnumber = {11},\n\tjournal = {Bioanalysis},\n\tauthor = {Crawford, Elizabeth and Gordon, Justin and Wu, Jing-Tao and Musselman, Brian and Liu, Ray and Yu, Shaoxia},\n\tyear = {2011},\n\tpages = {1217--1226},\n}\n\n\n\n
\n
\n\n\n
\n Background: Conventional mouse or rat pharmacokinetic/toxicokinetic (PK/TK) studies frequently require sacrifice or use of multiple animals for a full time-course in order to obtain adequate blood volume. Currently accepted LC–MS/MS analyses require tedious sample preparation and large blood volume, therefore, a bioanalytical method with a simpler blood-sampling procedure using fewer animals, lower sample volume and no additional sample preparation is desirable. Results: We have developed a method that combines the direct analysis in real time (DART) open-air ambient ionization source and MS/MS to directly analyze dried blood spots (DBS) on glass from low volume whole blood samples without additional sample preparation or manipulation of the spots. Single mouse serial bleeding was performed for sample collection for DART-MS/MS and the results were comparable to the conventional terminal bleeding method for LC–MS/MS. Conclusion: The DART-MS/MS method was applied to DBS sampling for PK/TK studies and also for in vitro screening of absorption, distribution, metabolism and excretion properties. The results from the DART-MS/MS approach correlated well with the LC–MS/MS analyses for comparison.\n
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\n \n\n \n \n \n \n \n \n Practical considerations for the rapid screening for pesticides using ambient pressure desorption ionisation with high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Edison, S.; Lin, L.; and Parrales, L.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 28(10): 1393–1404. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PracticalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{edison_practical_2011,\n\ttitle = {Practical considerations for the rapid screening for pesticides using ambient pressure desorption ionisation with high-resolution mass spectrometry},\n\tvolume = {28},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2011.596165},\n\tdoi = {10.1080/19440049.2011.596165},\n\tabstract = {A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80\\% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.\nA rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80\\% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.},\n\tnumber = {10},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Edison, S.E. and Lin, L.A. and Parrales, L.},\n\tyear = {2011},\n\tpages = {1393--1404},\n}\n\n\n\n
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\n\n\n
\n A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode. A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry and its applications in chemical analysis.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Morlock, G. E.; and Revelsky, I. A.\n\n\n \n\n\n\n Russian Chemical Reviews, 80(3): 235. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_dart_2011,\n\ttitle = {{DART} mass spectrometry and its applications in chemical analysis},\n\tvolume = {80},\n\turl = {http://stacks.iop.org/0036-021X/80/i=3/a=R03},\n\tabstract = {Published data on the fundamental and applied aspects of DART mass spectrometry are surveyed. The DART ionization principles and the key parameters affecting the analytical characteristics of the method and the mass spectra of the determined compounds are considered. The advantages and drawbacks of DART mass spectrometry are discussed and the existing and prospective applications are outlined.},\n\tnumber = {3},\n\tjournal = {Russian Chemical Reviews},\n\tauthor = {Chernetsova, Elena S. and Morlock, G. E. and Revelsky, Igor A.},\n\tyear = {2011},\n\tkeywords = {review},\n\tpages = {235},\n}\n\n\n\n
\n
\n\n\n
\n Published data on the fundamental and applied aspects of DART mass spectrometry are surveyed. The DART ionization principles and the key parameters affecting the analytical characteristics of the method and the mass spectra of the determined compounds are considered. The advantages and drawbacks of DART mass spectrometry are discussed and the existing and prospective applications are outlined.\n
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\n \n\n \n \n \n \n \n \n Thin Layer Chromatography/Plasma Assisted Multiwavelength Laser Desorption Ionization Mass Spectrometry for Facile Separation and Selective Identification of Low Molecular Weight Compounds.\n \n \n \n \n\n\n \n Zhang, J.; Zhou, Z.; Yang, J.; Zhang, W.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Anal. Chem., 84(3): 1496–1503. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ThinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zhang_thin_2011,\n\ttitle = {Thin {Layer} {Chromatography}/{Plasma} {Assisted} {Multiwavelength} {Laser} {Desorption} {Ionization} {Mass} {Spectrometry} for {Facile} {Separation} and {Selective} {Identification} of {Low} {Molecular} {Weight} {Compounds}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac202732y},\n\tdoi = {10.1021/ac202732y},\n\tabstract = {A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.\nA novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.},\n\tnumber = {3},\n\tjournal = {Anal. Chem.},\n\tauthor = {Zhang, Jialing and Zhou, Zhigui and Yang, Jianwang and Zhang, Wei and Bai, Yu and Liu, Huwei},\n\tyear = {2011},\n\tkeywords = {DART, LDI, laser desorption, TLC},\n\tpages = {1496--1503},\n}\n\n\n\n
\n
\n\n\n
\n A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2. A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.\n
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\n \n\n \n \n \n \n \n Comparison of dielectric barrier discharge, atmospheric pressure radiofrequency-driven glow discharge and direct analysis in real time sources for ambient mass spectrometry of acetaminophen.\n \n \n \n\n\n \n Kratzera, J.; Mester, Z.; and Sturgeon, R. E.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 66(8): 594–603. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kratzera_comparison_2011,\n\ttitle = {Comparison of dielectric barrier discharge, atmospheric pressure radiofrequency-driven glow discharge and direct analysis in real time sources for ambient mass spectrometry of acetaminophen},\n\tvolume = {66},\n\tabstract = {Three plasma-based ambient pressure ion sources were investigated; laboratory constructed dielectric barrier and rf glow discharges, as well as a commercial corona discharge (DART source). All were used to desorb and ionize a model analyte, providing sampling techniques for ambient mass spectrometry (MS). Experimental parameters were optimized to achive highest signal for acetaminophen as the analyte. Insight into the mechanisms of analyte desorption and ionization was obtained by means of emission spectrometry and ion current measurements. Desorption and ionization mechanisms for this analyte appear to be identical for all three plasma sources. Emission spectra differ only in the intensities of various lines and bands. Desorption of solid analyte requires transfer of thermal energy from the plasma source to sample surface, in the absence of which complete loss of MS response occurs. For acetaminophen, helium was the best plasma gas, providing 100- to 1000-fold higher analyte response than with argon or nitrogen. The same trend was also evident with background ions (protonated water clusters). MS analyte signal intensity correlates with the ion density (expressed as ion current) in the plasma plume and with emission intensity from excited state species in the plasma. These observations support an ionization process which occurs via proton transfer from protonated water clusters to analyte molecules.},\n\tnumber = {8},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {Kratzera, Jan and Mester, Zoltán and Sturgeon, Ralph E.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time (DART); Dielectric barrier discharge (DBD); Atmospheric pressure rf glow discharge (APGD); Ambient mass spectrometry (AMS); Acetaminophen},\n\tpages = {594--603},\n}\n\n\n\n
\n
\n\n\n
\n Three plasma-based ambient pressure ion sources were investigated; laboratory constructed dielectric barrier and rf glow discharges, as well as a commercial corona discharge (DART source). All were used to desorb and ionize a model analyte, providing sampling techniques for ambient mass spectrometry (MS). Experimental parameters were optimized to achive highest signal for acetaminophen as the analyte. Insight into the mechanisms of analyte desorption and ionization was obtained by means of emission spectrometry and ion current measurements. Desorption and ionization mechanisms for this analyte appear to be identical for all three plasma sources. Emission spectra differ only in the intensities of various lines and bands. Desorption of solid analyte requires transfer of thermal energy from the plasma source to sample surface, in the absence of which complete loss of MS response occurs. For acetaminophen, helium was the best plasma gas, providing 100- to 1000-fold higher analyte response than with argon or nitrogen. The same trend was also evident with background ions (protonated water clusters). MS analyte signal intensity correlates with the ion density (expressed as ion current) in the plasma plume and with emission intensity from excited state species in the plasma. These observations support an ionization process which occurs via proton transfer from protonated water clusters to analyte molecules.\n
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\n \n\n \n \n \n \n \n \n Analysis of printing and writing papers by using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Adams, J.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 301(1–3): 109–126. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{adams_analysis_2011,\n\ttitle = {Analysis of printing and writing papers by using direct analysis in real time mass spectrometry},\n\tvolume = {301},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380610002617},\n\tdoi = {10.1016/j.ijms.2010.07.025},\n\tabstract = {A quick and direct method for identifying organic components of papers in library and archival collections with minimal destructive sampling is needed for preservation, forensic, and general purposes. Direct analysis in real time mass spectrometry (DART-MS) is used for characterizing 16 reference papers of known manufacture in terms of their pulp composition and pitch contaminants. Unique mass spectra are obtained from bleached kraft, chemithermomechanical, and stone groundwood pulp papers in real time without extractions, derivatizations, chromatographic separations, and other time- and chemical-consuming sample preparations. Phytosteroids are volatilized from bleached hardwood kraft but not from bleached softwood kraft papers, which differentiates the two of them. The kraft papers are in turn differentiated from chemithermomechanical pulp papers by lignin-derived thermolyis products: syringyl products arise from hardwood, but guaiacyl and coumaryl products arise from softwood, chemithermomechanical pulp papers. Stone groundwood papers contain a number of extractives that are volatilized, which serve to differentiate them from all the other papers. Papers that contain rosin vs. alkyl ketene dimer (AKD) sizings are immediately differentiated. The DART-MS methodology is fast and simple, and the spectra are repeatable. Microsamples as small as ∼10\\&\\#xa0;μg tweezed from the paper surface may be analyzed. These benchmark spectra are the prelude to further applications of DART-MS in paper research and the beginning of the development of a searchable library of DART-MS spectra of printing and writing papers by the Library of Congress.},\n\tnumber = {1–3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Adams, Jeanette},\n\tyear = {2011},\n\tkeywords = {AccuTOF, DART, Direct analysis in real time, Extractives, Lignin, Paper, Pulp},\n\tpages = {109--126},\n}\n\n\n\n
\n
\n\n\n
\n A quick and direct method for identifying organic components of papers in library and archival collections with minimal destructive sampling is needed for preservation, forensic, and general purposes. Direct analysis in real time mass spectrometry (DART-MS) is used for characterizing 16 reference papers of known manufacture in terms of their pulp composition and pitch contaminants. Unique mass spectra are obtained from bleached kraft, chemithermomechanical, and stone groundwood pulp papers in real time without extractions, derivatizations, chromatographic separations, and other time- and chemical-consuming sample preparations. Phytosteroids are volatilized from bleached hardwood kraft but not from bleached softwood kraft papers, which differentiates the two of them. The kraft papers are in turn differentiated from chemithermomechanical pulp papers by lignin-derived thermolyis products: syringyl products arise from hardwood, but guaiacyl and coumaryl products arise from softwood, chemithermomechanical pulp papers. Stone groundwood papers contain a number of extractives that are volatilized, which serve to differentiate them from all the other papers. Papers that contain rosin vs. alkyl ketene dimer (AKD) sizings are immediately differentiated. The DART-MS methodology is fast and simple, and the spectra are repeatable. Microsamples as small as ∼10 μg tweezed from the paper surface may be analyzed. These benchmark spectra are the prelude to further applications of DART-MS in paper research and the beginning of the development of a searchable library of DART-MS spectra of printing and writing papers by the Library of Congress.\n
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\n \n\n \n \n \n \n \n Study on rapid and direct analysis of illegally added six PDE5 inhibitors in health food by DART-MS/MS method.\n \n \n \n\n\n \n CHENG, Xian-lon; LI ,Wen-jie; LI, Wei-jian; XIAO, Xin-yue; LIN, Rui-chao; and WEI, Feng\n\n\n \n\n\n\n Chinese Journal of Pharmaceutical Analysis, 31: 438–442. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cheng_xian-lon_study_2011,\n\ttitle = {Study on rapid and direct analysis of illegally added six {PDE5} inhibitors in health food by {DART}-{MS}/{MS} method},\n\tvolume = {31},\n\tdoi = {CNKI:SUN:YWFX.0.2011-03-005},\n\tabstract = {To develop a directed analysis of 6 phosphodiesterase 5(PDE5)inhibitors:sildenafil,tadalafil,acetildenafil,hydroxyhomosildenafil,aminotadalafil,pseudo-vardenfil in health food.Methods:Triple quadrupol MS with DART ion souce was used to perform the direct analysis.The DART sampler delivery rate was 0.2 mm·s-1.The temperature of carry gas of DART was 450 ℃.The capillary voltage was kept at 4 kV.The temperature of the drying gas of triple quadrupol MS was set at 350 ℃.The flow rate of the drying gas of triple quadrupol MS was set at 10 L·min-1,respectively.Product ion scan mode was used with scan range from 50-550 amu.The precursor ions were set as m/z 475.1(sildenafil),m/z 467.2(acetildenafil),m/z 505.1(hydroxyhomosildenafil),m/z 390.1(tadalafil),m/z 391.2(aminotadalafil),m/z 460.3(pseudo-vardenfil).The identification was performed by comparing the mass spectrum of detected peak in samples with the mass spectrum of peak in reference substance.Results:The limit of detection for each of 6 PDE5 inhibitors was under 1 μg·g-1.Sildenafil was detected in 6 samples,and tadalafil was detected in 1 sample.Conclusion:The method is employed to simultaneous detection of 6 PDE5 inhibitors in health food.},\n\tjournal = {Chinese Journal of Pharmaceutical Analysis},\n\tauthor = {{CHENG, Xian-lon} and {LI ,Wen-jie} and {LI, Wei-jian} and {XIAO, Xin-yue} and {LIN, Rui-chao} and {WEI, Feng}},\n\tyear = {2011},\n\tpages = {438--442},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n To develop a directed analysis of 6 phosphodiesterase 5(PDE5)inhibitors:sildenafil,tadalafil,acetildenafil,hydroxyhomosildenafil,aminotadalafil,pseudo-vardenfil in health food.Methods:Triple quadrupol MS with DART ion souce was used to perform the direct analysis.The DART sampler delivery rate was 0.2 mm·s-1.The temperature of carry gas of DART was 450 ℃.The capillary voltage was kept at 4 kV.The temperature of the drying gas of triple quadrupol MS was set at 350 ℃.The flow rate of the drying gas of triple quadrupol MS was set at 10 L·min-1,respectively.Product ion scan mode was used with scan range from 50-550 amu.The precursor ions were set as m/z 475.1(sildenafil),m/z 467.2(acetildenafil),m/z 505.1(hydroxyhomosildenafil),m/z 390.1(tadalafil),m/z 391.2(aminotadalafil),m/z 460.3(pseudo-vardenfil).The identification was performed by comparing the mass spectrum of detected peak in samples with the mass spectrum of peak in reference substance.Results:The limit of detection for each of 6 PDE5 inhibitors was under 1 μg·g-1.Sildenafil was detected in 6 samples,and tadalafil was detected in 1 sample.Conclusion:The method is employed to simultaneous detection of 6 PDE5 inhibitors in health food.\n
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\n \n\n \n \n \n \n \n \n Simplified and rapid determination of polychlorinated biphenyls, polybrominated diphenyl ethers, and polycyclic aromatic hydrocarbons in fish and shrimps integrated into a single method.\n \n \n \n \n\n\n \n Kalachova, K.; Pulkrabova, J.; Drabova, L.; Cajka, T.; Kocourek, V.; and Hajslova, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 707(1–2): 84–91. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SimplifiedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{kalachova_simplified_2011,\n\ttitle = {Simplified and rapid determination of polychlorinated biphenyls, polybrominated diphenyl ethers, and polycyclic aromatic hydrocarbons in fish and shrimps integrated into a single method},\n\tvolume = {707},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267011012347},\n\tdoi = {10.1016/j.aca.2011.09.016},\n\tabstract = {In this study, a new rapid and flexible method for the simultaneous determination of 18 key representatives of polychlorinated biphenyls (PCBs), 7 polybrominated diphenyl ethers (PBDEs), and 32 polycyclic aromatic hydrocarbons (PAHs) in fish and shrimps by gas chromatography coupled to mass spectrometry (GC–MS) was developed and validated. A substantial simplification of sample processing prior to quantification step was achieved: after addition of water to homogenized sample, transfer of hydrophobic analytes into ethyl acetate was supported by added inorganic salts. Bulk fat, contained in crude organic extract obtained by partition, was subsequently removed on a silica minicolumn. This approach enabled to process six samples in less than 1\\&\\#xa0;h; moreover, the volume of an extraction solvent and consumption of other chemicals can be significantly reduced compared to, e.g., traditional Soxhlet extraction followed by gel permeation chromatography. The recoveries of target analytes were in the range of 73–120\\% even at the lowest spiking level (1\\&\\#xa0;μg\\&\\#xa0;kg−1), repeatabilities (relative standard deviations, RSDs) ranged from 1 to 20\\%. Under optimized GC–MS conditions (time-of-flight mass analyzer, TOF), the limits of quantification (LOQs) were as follows: PCBs 0.1–0.5\\&\\#xa0;μg\\&\\#xa0;kg−1, PBDEs 0.5\\&\\#xa0;μg\\&\\#xa0;kg−1, and PAHs 0.05–0.25\\&\\#xa0;μg\\&\\#xa0;kg−1. Ambient mass spectrometry employing a direct analysis in real time (DART) ion source was shown as an effective tool for fat control in extract, which is needed during the method development and examination of unknown samples prior to the analysis. Further extension of a method scope by other similar analytes is easily possible.},\n\tnumber = {1–2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Kalachova, Kamila and Pulkrabova, Jana and Drabova, Lucie and Cajka, Tomas and Kocourek, Vladimir and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {DART, Fish, Fish; Shrimps; PCB; PBDE; PAH; GC–TOFMS; DART; AccuTOF, GC–TOFMS, PAH, PBDE, PCB, Shrimps},\n\tpages = {84--91},\n}\n\n\n\n
\n
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\n In this study, a new rapid and flexible method for the simultaneous determination of 18 key representatives of polychlorinated biphenyls (PCBs), 7 polybrominated diphenyl ethers (PBDEs), and 32 polycyclic aromatic hydrocarbons (PAHs) in fish and shrimps by gas chromatography coupled to mass spectrometry (GC–MS) was developed and validated. A substantial simplification of sample processing prior to quantification step was achieved: after addition of water to homogenized sample, transfer of hydrophobic analytes into ethyl acetate was supported by added inorganic salts. Bulk fat, contained in crude organic extract obtained by partition, was subsequently removed on a silica minicolumn. This approach enabled to process six samples in less than 1 h; moreover, the volume of an extraction solvent and consumption of other chemicals can be significantly reduced compared to, e.g., traditional Soxhlet extraction followed by gel permeation chromatography. The recoveries of target analytes were in the range of 73–120% even at the lowest spiking level (1 μg kg−1), repeatabilities (relative standard deviations, RSDs) ranged from 1 to 20%. Under optimized GC–MS conditions (time-of-flight mass analyzer, TOF), the limits of quantification (LOQs) were as follows: PCBs 0.1–0.5 μg kg−1, PBDEs 0.5 μg kg−1, and PAHs 0.05–0.25 μg kg−1. Ambient mass spectrometry employing a direct analysis in real time (DART) ion source was shown as an effective tool for fat control in extract, which is needed during the method development and examination of unknown samples prior to the analysis. Further extension of a method scope by other similar analytes is easily possible.\n
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\n \n\n \n \n \n \n \n \n Clafication of the composition of [M+18] ions in DART mass spectra of polyethylene glycol using high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E.; Ovcharov, M.; Zatonskii, G.; Abramovich, R.; and Revelskii, I.\n\n\n \n\n\n\n Journal of Analytical Chemistry, 66(13): 1348–1351. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ClaficationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_clafication_2011,\n\ttitle = {Clafication of the composition of [{M}+18] ions in {DART} mass spectra of polyethylene glycol using high-resolution mass spectrometry},\n\tvolume = {66},\n\tissn = {1061-9348},\n\turl = {http://dx.doi.org/10.1134/S1061934811130016},\n\tnumber = {13},\n\tjournal = {Journal of Analytical Chemistry},\n\tauthor = {Chernetsova, E. and Ovcharov, M. and Zatonskii, G. and Abramovich, R. and Revelskii, I.},\n\tyear = {2011},\n\tpages = {1348--1351},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n New approach to detecting counterfeit drugs in tablets by DART mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E.; Bochkov, P.; Zatonskii, G.; and Abramovich, R.\n\n\n \n\n\n\n Pharmaceutical Chemistry Journal, 45(5): 306–308. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"NewPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{chernetsova_new_2011,\n\ttitle = {New approach to detecting counterfeit drugs in tablets by {DART} mass spectrometry},\n\tvolume = {45},\n\tissn = {0091-150X},\n\turl = {http://dx.doi.org/10.1007/s11094-011-0622-y},\n\tabstract = {The possibility of using DART mass spectrometry for the identification of active ingredients in tableted drugs has been studied. Analytical results for some drugs such as glycin, nootropyl, anaprilin, mexidol, and biseptol are presented. The benefits and limitations of DART mass spectrometry as applied to fast screening of tableted pharmaceuticals for detecting counterfeits are discussed.},\n\tnumber = {5},\n\tjournal = {Pharmaceutical Chemistry Journal},\n\tauthor = {Chernetsova, E. and Bochkov, P. and Zatonskii, G. and Abramovich, R.},\n\tyear = {2011},\n\tpages = {306--308},\n}\n\n\n\n
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\n The possibility of using DART mass spectrometry for the identification of active ingredients in tableted drugs has been studied. Analytical results for some drugs such as glycin, nootropyl, anaprilin, mexidol, and biseptol are presented. The benefits and limitations of DART mass spectrometry as applied to fast screening of tableted pharmaceuticals for detecting counterfeits are discussed.\n
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\n \n\n \n \n \n \n \n \n Versatile Method for the Detection of Covalently Bound Substrates on Solid Supports by DART Mass Spectrometry.\n \n \n \n \n\n\n \n Sanchez, L. M.; Curtis, M. E.; Bracamonte, B. E.; Kurita, K. L.; Navarro, G.; Sparkman, O. D.; and Linington, R. G.\n\n\n \n\n\n\n Organic Letters, 13(15): 3770–3773. June 2011.\n \n\n\n\n
\n\n\n\n \n \n \"VersatilePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{sanchez_versatile_2011,\n\ttitle = {Versatile {Method} for the {Detection} of {Covalently} {Bound} {Substrates} on {Solid} {Supports} by {DART} {Mass} {Spectrometry}},\n\tvolume = {13},\n\tissn = {1523-7060},\n\turl = {http://dx.doi.org/10.1021/ol201404v},\n\tdoi = {10.1021/ol201404v},\n\tabstract = {Analysis of substrates directly on solid phase resins without the need for separate cleavage conditions remains an outstanding challenge in the field of solid phase synthesis. We now present the first example of simultaneous cleavage and mass spectrometric analysis of peptides from solid supports using direct analysis in real time (DART) mass spectrometry. We have shown that this method is compatible with a diverse array of solid phase resins and is suitable for analysis of both peptides and organic substrates.},\n\tnumber = {15},\n\turldate = {2013-06-05},\n\tjournal = {Organic Letters},\n\tauthor = {Sanchez, Laura M. and Curtis, Matthew E. and Bracamonte, Bianca E. and Kurita, Kenji L. and Navarro, Gabriel and Sparkman, O. David and Linington, Roger G.},\n\tmonth = jun,\n\tyear = {2011},\n\tpages = {3770--3773},\n}\n\n\n\n\n\n\n\n
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\n Analysis of substrates directly on solid phase resins without the need for separate cleavage conditions remains an outstanding challenge in the field of solid phase synthesis. We now present the first example of simultaneous cleavage and mass spectrometric analysis of peptides from solid supports using direct analysis in real time (DART) mass spectrometry. We have shown that this method is compatible with a diverse array of solid phase resins and is suitable for analysis of both peptides and organic substrates.\n
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\n \n\n \n \n \n \n \n \n Some new features of Direct Analysis in Real Time mass spectrometry utilizing the desorption at an angle option.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Revelsky, A. I.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(16): 2275–2282. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SomePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{chernetsova_new_2011,\n\ttitle = {Some new features of {Direct} {Analysis} in {Real} {Time} mass spectrometry utilizing the desorption at an angle option},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5112},\n\tdoi = {10.1002/rcm.5112},\n\tabstract = {The present study is a first step towards the unexplored capabilities of Direct Analysis in Real Time (DART) mass spectrometry (MS) arising from the possibility of the desorption at an angle: scanning analysis of surfaces, including the coupling of thin-layer chromatography (TLC) with DART-MS, and a more sensitive analysis due to the preliminary concentration of analytes dissolved in large volumes of liquids on glass surfaces. In order to select the most favorable conditions for DART-MS analysis, proper positioning of samples is important. Therefore, a simple and cheap technique for the visualization of the impact region of the DART gas stream onto a substrate was developed. A filter paper or TLC plate, previously loaded with the analyte, was immersed in a derivatization solution. On this substrate, owing to the impact of the hot DART gas, reaction of the analyte to a colored product occurred. An improved capability of detection of DART-MS for the analysis of liquids was demonstrated by applying large volumes of model solutions of coumaphos into small glass vessels and drying these solutions prior to DART-MS analysis under ambient conditions. This allowed the introduction of, by up to more than two orders of magnitude, increased quantities of analyte compared with the conventional DART-MS analysis of liquids. Through this improved detectability, the capabilities of DART-MS in trace analysis could be strengthened. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {16},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Revelsky, Alexander I. and Morlock, Gertrud E.},\n\tyear = {2011},\n\tkeywords = {Agilent Quad},\n\tpages = {2275--2282},\n}\n\n\n\n\n\n\n\n
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\n The present study is a first step towards the unexplored capabilities of Direct Analysis in Real Time (DART) mass spectrometry (MS) arising from the possibility of the desorption at an angle: scanning analysis of surfaces, including the coupling of thin-layer chromatography (TLC) with DART-MS, and a more sensitive analysis due to the preliminary concentration of analytes dissolved in large volumes of liquids on glass surfaces. In order to select the most favorable conditions for DART-MS analysis, proper positioning of samples is important. Therefore, a simple and cheap technique for the visualization of the impact region of the DART gas stream onto a substrate was developed. A filter paper or TLC plate, previously loaded with the analyte, was immersed in a derivatization solution. On this substrate, owing to the impact of the hot DART gas, reaction of the analyte to a colored product occurred. An improved capability of detection of DART-MS for the analysis of liquids was demonstrated by applying large volumes of model solutions of coumaphos into small glass vessels and drying these solutions prior to DART-MS analysis under ambient conditions. This allowed the introduction of, by up to more than two orders of magnitude, increased quantities of analyte compared with the conventional DART-MS analysis of liquids. Through this improved detectability, the capabilities of DART-MS in trace analysis could be strengthened. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n High-performance liquid chromatography coupled to direct analysis in real time mass spectrometry: Investigations on gradient elution and influence of complex matrices on signal intensities.\n \n \n \n \n\n\n \n Beißmann, S.; Buchberger, W.; Hertsens, R.; and Klampfl, C. W.\n\n\n \n\n\n\n Journal of Chromatography A, 1218(31): 5180–5186. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"High-performancePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
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@article{beismann_high-performance_2011,\n\ttitle = {High-performance liquid chromatography coupled to direct analysis in real time mass spectrometry: {Investigations} on gradient elution and influence of complex matrices on signal intensities},\n\tvolume = {1218},\n\tissn = {0021-9673},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0021967311007692},\n\tdoi = {10.1016/j.chroma.2011.05.092},\n\tnumber = {31},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Beißmann, Susanne and Buchberger, Wolfgang and Hertsens, Robert and Klampfl, Christian W.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time, HPLC, Hyphenated methods},\n\tpages = {5180--5186},\n}\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n Crushing Garlic and Slicing Onions: Detection of Sulfenic Acids and Other Reactive Organosulfur Intermediates from Garlic and Other Alliums using Direct Analysis in Real-Time Mass Spectrometry (DART-MS).\n \n \n \n\n\n \n Block, E.; Dane, A.; and Cody, R.\n\n\n \n\n\n\n Phosphorus, Sulfur, and Silicon and the Related Elements, 186(5): 1085–1093. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{block_crushing_2011,\n\ttitle = {Crushing {Garlic} and {Slicing} {Onions}: {Detection} of {Sulfenic} {Acids} and {Other} {Reactive} {Organosulfur} {Intermediates} from {Garlic} and {Other} {Alliums} using {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry} ({DART}-{MS})},\n\tvolume = {186},\n\tabstract = {Direct analysis in real-time mass spectrometry (DART-MS) under both positive-ion (PI) and negative-ion (NI) high-resolution (HR) conditions has been used to identify reactive sulfur-containing compounds formed from cutting seven different genus Allium species, garlic, onion, elephant garlic, leek, Chinese chives, and the ornamental species, Allium siculum and A. stipitatum. From cut garlic, PI-DART-MS shows allicin, allyl/methyl and dimethyl thiosulfinates, diallyl trisulfane S-oxide, allyl alcohol, and propene, whereas NI-DART-MS shows 2-propenesulfenic acid, 2-propenesulfinic acid, SO2, and pyruvate. From cut onion, PI-DART-MS shows mainly the lachrymatory factor (LF), along with much lower amounts of thiosulfinates, zwiebelanes, and a bis-sulfine. From cut elephant garlic, both allicin and LF are found, along with thiosulfinates and bis-sulfine. From cut leek, using PI-DART-MS, mixed methyl-1-propenyl-n-propyl thiosulfinates are found, whereas cut Chinese chive shows predominantly methyl with lesser amounts of mixed allyl/methyl thiosufinates. From cut A. siculum, PI-DART-MS shows butanethial S-oxide along with lesser amounts of mixed 1-butenyl/n-butyl/methyl thiosulfinates, while from cut A. stipitatum, N-hydroxy-2-pyridinethione (pyrithone) is seen. PI-DART-MS analysis of all six cut Allium species showed that disulfanes and polysulfanes were absent, which is consistent with these compounds being artifacts from handling and analysis.},\n\tnumber = {5},\n\tjournal = {Phosphorus, Sulfur, and Silicon and the Related Elements},\n\tauthor = {Block, E. and Dane, A.J. and Cody, R.B.},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {1085--1093},\n}\n\n\n\n
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\n Direct analysis in real-time mass spectrometry (DART-MS) under both positive-ion (PI) and negative-ion (NI) high-resolution (HR) conditions has been used to identify reactive sulfur-containing compounds formed from cutting seven different genus Allium species, garlic, onion, elephant garlic, leek, Chinese chives, and the ornamental species, Allium siculum and A. stipitatum. From cut garlic, PI-DART-MS shows allicin, allyl/methyl and dimethyl thiosulfinates, diallyl trisulfane S-oxide, allyl alcohol, and propene, whereas NI-DART-MS shows 2-propenesulfenic acid, 2-propenesulfinic acid, SO2, and pyruvate. From cut onion, PI-DART-MS shows mainly the lachrymatory factor (LF), along with much lower amounts of thiosulfinates, zwiebelanes, and a bis-sulfine. From cut elephant garlic, both allicin and LF are found, along with thiosulfinates and bis-sulfine. From cut leek, using PI-DART-MS, mixed methyl-1-propenyl-n-propyl thiosulfinates are found, whereas cut Chinese chive shows predominantly methyl with lesser amounts of mixed allyl/methyl thiosufinates. From cut A. siculum, PI-DART-MS shows butanethial S-oxide along with lesser amounts of mixed 1-butenyl/n-butyl/methyl thiosulfinates, while from cut A. stipitatum, N-hydroxy-2-pyridinethione (pyrithone) is seen. PI-DART-MS analysis of all six cut Allium species showed that disulfanes and polysulfanes were absent, which is consistent with these compounds being artifacts from handling and analysis.\n
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\n \n\n \n \n \n \n \n Increasing the rate of sample vaporization in an open air desorption ionization source by using a heated metal screen as a sample holder.\n \n \n \n\n\n \n Krechmer, J.; Tice, J.; Crawford, E.; and Musselman, B.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(17): 2384–2388. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{krechmer_increasing_2011,\n\ttitle = {Increasing the rate of sample vaporization in an open air desorption ionization source by using a heated metal screen as a sample holder},\n\tvolume = {25},\n\tdoi = {10.1002/rcm.5133},\n\tabstract = {Rapid vaporization of sample into the ionizing gas exiting a direct analysis in real time (DARTW) source has been enabled by directing a high electrical current through a metal wire screen to which sample has been applied. This direct heating of the screen enables rapid vaporization of sample as the wire temperature rises from room temperature to greater than 400C in less than 20s. Positioning the screen between the DARTsource and atmospheric pressure inlet of the mass spectrometer ensures that the ionizing gas is in close proximity to the sample molecules, resulting in efficient ionization while significantly reducing the time required for mass spectrometric analysis. The capability to modulate the electrical current flow through the wires facilitates either rapid desorption for the determination of single component samples or slower desorption where analysis of mixtures might be desired. The technology also enables deployment of strategies for the determination of chemicals present as powders that might otherwise require dissolution prior to analysis. Results from the use of this thermally assisted DART (‘TA-DART’) system for the analysis of pure compounds, simple mixtures, solids and low vapor pressure samples are presented.},\n\tnumber = {17},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Krechmer, Jordan and Tice, Joseph and Crawford, Elizabeth and Musselman, Brian},\n\tyear = {2011},\n\tkeywords = {Agilent Quad},\n\tpages = {2384--2388},\n}\n\n\n\n
\n
\n\n\n
\n Rapid vaporization of sample into the ionizing gas exiting a direct analysis in real time (DARTW) source has been enabled by directing a high electrical current through a metal wire screen to which sample has been applied. This direct heating of the screen enables rapid vaporization of sample as the wire temperature rises from room temperature to greater than 400C in less than 20s. Positioning the screen between the DARTsource and atmospheric pressure inlet of the mass spectrometer ensures that the ionizing gas is in close proximity to the sample molecules, resulting in efficient ionization while significantly reducing the time required for mass spectrometric analysis. The capability to modulate the electrical current flow through the wires facilitates either rapid desorption for the determination of single component samples or slower desorption where analysis of mixtures might be desired. The technology also enables deployment of strategies for the determination of chemicals present as powders that might otherwise require dissolution prior to analysis. Results from the use of this thermally assisted DART (‘TA-DART’) system for the analysis of pure compounds, simple mixtures, solids and low vapor pressure samples are presented.\n
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\n \n\n \n \n \n \n \n In-situ and Rapid Identification of Tea by Diect Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Zhang, J.; Zhang, W.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Chinese Journal of Chromatography, 29(7): 681–686. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhang_-situ_2011,\n\ttitle = {In-situ and {Rapid} {Identification} of {Tea} by {Diect} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {29},\n\tabstract = {By applying an ambient mass spectrometric method-direct analysis in real time mass spectrometry (DART MS), a method was developed for rapid identification of the principal constituents in different kinds of tea. The identification of different kinds of tea was also achieved by characteristic mass spectrometric signals. Under atmospheric pressure, DART MS method does not require any sample preparation, greatly reduces the analysis time, realizes the in situ, rapid, accurate, and high-throughput analysis.},\n\tnumber = {7},\n\tjournal = {Chinese Journal of Chromatography},\n\tauthor = {Zhang, J. and Zhang, W. and Zhou, Z. and Bai, Y. and Liu, H.},\n\tyear = {2011},\n\tkeywords = {ion trap; XCT},\n\tpages = {681--686},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n By applying an ambient mass spectrometric method-direct analysis in real time mass spectrometry (DART MS), a method was developed for rapid identification of the principal constituents in different kinds of tea. The identification of different kinds of tea was also achieved by characteristic mass spectrometric signals. Under atmospheric pressure, DART MS method does not require any sample preparation, greatly reduces the analysis time, realizes the in situ, rapid, accurate, and high-throughput analysis.\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry employing a DART ion source for metabolomic fingerprinting/profiling: a powerful tool for beer origin recognition.\n \n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Metabolomics, 7(4): 500–508. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cajka_ambient_2011,\n\ttitle = {Ambient mass spectrometry employing a {DART} ion source for metabolomic fingerprinting/profiling: a powerful tool for beer origin recognition},\n\tvolume = {7},\n\tissn = {1573-3882},\n\turl = {http://dx.doi.org/10.1007/s11306-010-0266-z},\n\tdoi = {10.1007/s11306-010-0266-z},\n\tabstract = {A metabolomic fingerprinting/profiling generated by ambient mass spectrometry (MS) employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) was employed as a tool for beer origin recognition. In a first step, the DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in beer samples (direct measurement, no sample preparation). In the next step, metabolomic profiles (mass spectra) of a large set of different beer brands (Trappist and non-Trappist specialty beers) were acquired. In the final phase, the experimental data were analyzed using partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) with the aim of distinguishing (i) the beers labeled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. The best prediction ability was obtained for the model that distinguished the group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided ≥95\\% correct classification. The current study showed that DART–TOFMS metabolomic fingerprinting/profiling is a powerful analytical strategy enabling quality monitoring/authenticity assessment to be conducted in real time.},\n\tnumber = {4},\n\tjournal = {Metabolomics},\n\tauthor = {Cajka, Tomas and Riddellova, Katerina and Tomaniova, Monika and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Authenticity;, Beer;, Direct, Metabolomic, Traceability;, analysis, analysis;, fingerprinting/profiling;, in, mass, multivariate, real, spectrometry;, time;},\n\tpages = {500--508},\n}\n\n\n\n
\n
\n\n\n
\n A metabolomic fingerprinting/profiling generated by ambient mass spectrometry (MS) employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) was employed as a tool for beer origin recognition. In a first step, the DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in beer samples (direct measurement, no sample preparation). In the next step, metabolomic profiles (mass spectra) of a large set of different beer brands (Trappist and non-Trappist specialty beers) were acquired. In the final phase, the experimental data were analyzed using partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) with the aim of distinguishing (i) the beers labeled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. The best prediction ability was obtained for the model that distinguished the group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided ≥95% correct classification. The current study showed that DART–TOFMS metabolomic fingerprinting/profiling is a powerful analytical strategy enabling quality monitoring/authenticity assessment to be conducted in real time.\n
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\n \n\n \n \n \n \n \n \n New approach to detecting counterfeit drugs in tablets by DART mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E.; Bochkov, P.; Zatonskii, G.; and Abramovich, R.\n\n\n \n\n\n\n Pharmaceutical Chemistry Journal, 45(5): 306–308. 2011.\n 10.1007/s11094-011-0622-y\n\n\n\n
\n\n\n\n \n \n \"NewPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_new_2011,\n\ttitle = {New approach to detecting counterfeit drugs in tablets by {DART} mass spectrometry},\n\tvolume = {45},\n\tissn = {0091-150X},\n\turl = {http://dx.doi.org/10.1007/s11094-011-0622-y},\n\tabstract = {The possibility of using DART mass spectrometry for the identification of active ingredients in tableted drugs has been studied. Analytical results for some drugs such as glycin, nootropyl, anaprilin, mexidol, and biseptol are presented. The benefits and limitations of DART mass spectrometry as applied to fast screening of tableted pharmaceuticals for detecting counterfeits are discussed.},\n\tnumber = {5},\n\tjournal = {Pharmaceutical Chemistry Journal},\n\tauthor = {Chernetsova, E. and Bochkov, P. and Zatonskii, G. and Abramovich, R.},\n\tyear = {2011},\n\tnote = {10.1007/s11094-011-0622-y},\n\tpages = {306--308},\n}\n\n\n\n
\n
\n\n\n
\n The possibility of using DART mass spectrometry for the identification of active ingredients in tableted drugs has been studied. Analytical results for some drugs such as glycin, nootropyl, anaprilin, mexidol, and biseptol are presented. The benefits and limitations of DART mass spectrometry as applied to fast screening of tableted pharmaceuticals for detecting counterfeits are discussed.\n
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\n \n\n \n \n \n \n \n \n Allium Discoloration: The Precursor and Formation of the Red Pigment in Giant Onion (Allium giganteum Regel) and Some Other Subgenus Melanocrommyum Species.\n \n \n \n \n\n\n \n KucÌŒerovaÌ, P.; Kubec, R.; SÌŒimek, P.; Václavík, L.; and Schraml, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(5): 1821–1828. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AlliumPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kucioeerovai_allium_2011,\n\ttitle = {Allium {Discoloration}: {The} {Precursor} and {Formation} of the {Red} {Pigment} in {Giant} {Onion} ({Allium} giganteum {Regel}) and {Some} {Other} {Subgenus} {Melanocrommyum} {Species}},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf104195k},\n\tdoi = {10.1021/jf104195k},\n\tabstract = {The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa). The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).},\n\tnumber = {5},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {KucÌŒerovaÌ, Petra and Kubec, Roman and SÌŒimek, Petr and Václavík, LukásÌŒ and Schraml, Jan},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Allium, DART-MS;, LC−NMR;, Melanocrommyum;, S-(2-pyrrolyl)cysteine, S-(3-pyrrolyl)cysteine, S-oxide;, acid;, amino, discoloration;, giant, giganteum;, non-protein, onion;, pigment;, sulfenic, thiosulfinate;},\n\tpages = {1821--1828},\n}\n\n\n\n
\n
\n\n\n
\n The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa). The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).\n
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\n \n\n \n \n \n \n \n Direct Identification of Dyes in Textiles by Direct Analysis in Real Time-Time of Flight Mass Spectrometry.\n \n \n \n\n\n \n Deroo, C. S.; and Armitage, R. A.\n\n\n \n\n\n\n Analytical Chemistry, 83(18): 6924–6928. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{deroo_direct_2011,\n\ttitle = {Direct {Identification} of {Dyes} in {Textiles} by {Direct} {Analysis} in {Real} {Time}-{Time} of {Flight} {Mass} {Spectrometry}},\n\tvolume = {83},\n\tdoi = {10.1021/ac201747s},\n\tabstract = {We present here a method requiring no sample preparation for direct identification of the organic dye compounds quercetin, indigotin, and alizarin in reference materials, in solution, and also in situ in dyed fibers by use of direct analysis in real time (DART) ionization and high-resolution time-of-flight mass spectrometry. Exact mass determinations on small samples of dyed textiles were completed in less than 1 min. With the ability to identify flavonoid, indigoid, and anthraquinone classes of dyes, this technique shows early promise as an additional analytical tool in the challenging analysis of organic dyes in rare cultural heritage materials and possesses the unique advantages of sensitivity and simplicity without the preparatory procedures required by other methods.},\n\tnumber = {18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Deroo, Cathy Selvius and Armitage, Ruth Ann},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {6924--6928},\n}\n\n\n\n
\n
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\n We present here a method requiring no sample preparation for direct identification of the organic dye compounds quercetin, indigotin, and alizarin in reference materials, in solution, and also in situ in dyed fibers by use of direct analysis in real time (DART) ionization and high-resolution time-of-flight mass spectrometry. Exact mass determinations on small samples of dyed textiles were completed in less than 1 min. With the ability to identify flavonoid, indigoid, and anthraquinone classes of dyes, this technique shows early promise as an additional analytical tool in the challenging analysis of organic dyes in rare cultural heritage materials and possesses the unique advantages of sensitivity and simplicity without the preparatory procedures required by other methods.\n
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\n \n\n \n \n \n \n \n Structural Elucidation of Direct Analysis in Real Time Ionized Nerve Agent Simulants with Infrared Multiple Photon Dissociation Spectroscopy.\n \n \n \n\n\n \n Rummel, J. L.; Steill, J. D.; Oomens, J.; Contreras, C. S.; Pearson, W. L.; Szczepanski, J.; Powell, D. H.; and Eyler, J. R.\n\n\n \n\n\n\n Analytical Chemistry, 83(11): 4045–4052. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rummel_structural_2011,\n\ttitle = {Structural {Elucidation} of {Direct} {Analysis} in {Real} {Time} {Ionized} {Nerve} {Agent} {Simulants} with {Infrared} {Multiple} {Photon} {Dissociation} {Spectroscopy}},\n\tvolume = {83},\n\tdoi = {10.1021/ac102973a},\n\tabstract = {Infrared multiple photon dissociation (IRMPD) was used to generate vibrational spectra of ions produced with a direct analysis in real time (DART) ionization source coupled to a 4.7 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The location of protonation on the nerve agent simulants diisopropyl methylphosphonate (DIMP) and dimethyl methylphosphonate (DMMP) was studied while solutions of the compounds were introduced for extended periods of time with a syringe pump. Theoretical vibrational spectra were generated with density functional theory calculations. Visual comparison of experimental mid-IR IRMPD spectra and theoretical spectra could not establish definitively if a single structure or a mixture of conformations was present for the protonated parent of each compound. However, theoretical calculations, near-ir IRMPD spectra, and frequency-to-frequency and statistical comparisons indicated that the protonation site for both DIMP and DMMP was predominantly, if not exclusively, the phosphonyl oxygen instead of one of the oxygen atoms with only single bonds.},\n\tnumber = {11},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Rummel, Julia L. and Steill, Jeffrey D. and Oomens, Jos and Contreras, Cesar S. and Pearson, Wright L. and Szczepanski, Jan and Powell, David H. and Eyler, John R.},\n\tyear = {2011},\n\tkeywords = {DART, FT-ICR, nerve agents},\n\tpages = {4045--4052},\n}\n\n\n\n
\n
\n\n\n
\n Infrared multiple photon dissociation (IRMPD) was used to generate vibrational spectra of ions produced with a direct analysis in real time (DART) ionization source coupled to a 4.7 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The location of protonation on the nerve agent simulants diisopropyl methylphosphonate (DIMP) and dimethyl methylphosphonate (DMMP) was studied while solutions of the compounds were introduced for extended periods of time with a syringe pump. Theoretical vibrational spectra were generated with density functional theory calculations. Visual comparison of experimental mid-IR IRMPD spectra and theoretical spectra could not establish definitively if a single structure or a mixture of conformations was present for the protonated parent of each compound. However, theoretical calculations, near-ir IRMPD spectra, and frequency-to-frequency and statistical comparisons indicated that the protonation site for both DIMP and DMMP was predominantly, if not exclusively, the phosphonyl oxygen instead of one of the oxygen atoms with only single bonds.\n
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\n \n\n \n \n \n \n \n \n Clafication of the composition of [M+18] ions in DART mass spectra of polyethylene glycol using high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E.; Ovcharov, M.; Zatonskii, G.; Abramovich, R.; and Revelskii, I.\n\n\n \n\n\n\n Journal of Analytical Chemistry, 66(13): 1348–1351. 2011.\n 10.1134/S1061934811130016\n\n\n\n
\n\n\n\n \n \n \"ClaficationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_clafication_2011,\n\ttitle = {Clafication of the composition of [{M}+18] ions in {DART} mass spectra of polyethylene glycol using high-resolution mass spectrometry},\n\tvolume = {66},\n\tissn = {1061-9348},\n\turl = {http://dx.doi.org/10.1134/S1061934811130016},\n\tnumber = {13},\n\tjournal = {Journal of Analytical Chemistry},\n\tauthor = {Chernetsova, E. and Ovcharov, M. and Zatonskii, G. and Abramovich, R. and Revelskii, I.},\n\tyear = {2011},\n\tnote = {10.1134/S1061934811130016},\n\tpages = {1348--1351},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n High-performance liquid chromatography coupled to direct analysis in real time mass spectrometry: Investigations on gradient elution and influence of complex matrices on signal intensities.\n \n \n \n \n\n\n \n Beißmanna, S.; Buchbergera, W.; Hertsens, R.; and Klampfla, C. W.\n\n\n \n\n\n\n Journal of Chromatography A, 1218(31): 5180–5186. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"High-performancePaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{beiaymanna_high-performance_2011,\n\ttitle = {High-performance liquid chromatography coupled to direct analysis in real time mass spectrometry: {Investigations} on gradient elution and influence of complex matrices on signal intensities},\n\tvolume = {1218},\n\turl = {internal-pdf://J_Chrom_A_2011_1218_5180-5186-0067057183/J_Chrom_A_2011_1218_5180-5186.pdf},\n\tabstract = {Direct analysis in real time (DART) time-of-flight mass spectrometry (TOF-MS) has been tested for its suitability as a detector for gradient elution HPLC. Thereby a strong dependency of signal intensity on the amount of organic solvent present in the eluent could be observed. Adding a make-up liquid (iso-propanol) post-column to the HPLC effluent greatly enhanced detection limits for early eluting com-pounds. Limits of detection achieved employing this approach were in the range of 7-27 mg L−1 for the parabene test mixture and 15-87 mg L−1 for the pharmaceuticals. In further investigations DART ioniza-tion was compared to several other widely used atmospheric pressure ionization methods with respect to signal suppression phenomena occurring in when samples with problematic matrices are analyzed. For this purpose extracts from environmental and waste water samples were selected as model matrices which were subsequently spiked with a set of six substances commonly present in personal care products as well as six pharmaceuticals at concentration levels between 100 mg L−1 and 500 mg L−1 corresponding to 100 ng L−1 and 500 ng L−1 respectively in the original sample. With ionization suppression of less than 11\\% for most analytes investigated, DART ionization showed similar to even somewhat superior behavior compared to atmospheric pressure chemical ionization (APCI) and atmospheric pressure photo ionization (APPI) for the Danube river water extract; for the more challenging matrix of the sewage plant effluent extract DART provided better results with ion suppression being less than 11\\% for 9 out of 12 analytes while values for APCI were lying between 20\\% and {\\textbackslash}textgreater90\\%. Electrospray ionization (ESI) was much more affected by suppression effects than DART with values between 26\\% and 80\\% for Danube river water; in combination with the sewage plant effluent matrix suppression {\\textbackslash}textgreater50\\% was observed for all analytes.},\n\tnumber = {31},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Beißmanna, Susanne and Buchbergera, Wolfgang and Hertsens, Robert and Klampfla, Christian W.},\n\tyear = {2011},\n\tkeywords = {AccuTOF, DART;, HPLC;, Hyphenated, methods;},\n\tpages = {5180--5186},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) time-of-flight mass spectrometry (TOF-MS) has been tested for its suitability as a detector for gradient elution HPLC. Thereby a strong dependency of signal intensity on the amount of organic solvent present in the eluent could be observed. Adding a make-up liquid (iso-propanol) post-column to the HPLC effluent greatly enhanced detection limits for early eluting com-pounds. Limits of detection achieved employing this approach were in the range of 7-27 mg L−1 for the parabene test mixture and 15-87 mg L−1 for the pharmaceuticals. In further investigations DART ioniza-tion was compared to several other widely used atmospheric pressure ionization methods with respect to signal suppression phenomena occurring in when samples with problematic matrices are analyzed. For this purpose extracts from environmental and waste water samples were selected as model matrices which were subsequently spiked with a set of six substances commonly present in personal care products as well as six pharmaceuticals at concentration levels between 100 mg L−1 and 500 mg L−1 corresponding to 100 ng L−1 and 500 ng L−1 respectively in the original sample. With ionization suppression of less than 11% for most analytes investigated, DART ionization showed similar to even somewhat superior behavior compared to atmospheric pressure chemical ionization (APCI) and atmospheric pressure photo ionization (APPI) for the Danube river water extract; for the more challenging matrix of the sewage plant effluent extract DART provided better results with ion suppression being less than 11% for 9 out of 12 analytes while values for APCI were lying between 20% and \\textgreater90%. Electrospray ionization (ESI) was much more affected by suppression effects than DART with values between 26% and 80% for Danube river water; in combination with the sewage plant effluent matrix suppression \\textgreater50% was observed for all analytes.\n
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\n \n\n \n \n \n \n \n \n Simplified and rapid determination of polychlorinated biphenyls, polybrominated diphenyl ethers, and polycyclic aromatic hydrocarbons in fish and shrimps integrated into a single method.\n \n \n \n \n\n\n \n Kalachova, K.; Pulkrabova, J.; Drabova, L.; Cajka, T.; Kocourek, V.; and Hajslova, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 707(1–2): 84–91. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SimplifiedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kalachova_simplified_2011,\n\ttitle = {Simplified and rapid determination of polychlorinated biphenyls, polybrominated diphenyl ethers, and polycyclic aromatic hydrocarbons in fish and shrimps integrated into a single method},\n\tvolume = {707},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267011012347},\n\tdoi = {10.1016/j.aca.2011.09.016},\n\tabstract = {In this study, a new rapid and flexible method for the simultaneous determination of 18 key representatives of polychlorinated biphenyls (PCBs), 7 polybrominated diphenyl ethers (PBDEs), and 32 polycyclic aromatic hydrocarbons (PAHs) in fish and shrimps by gas chromatography coupled to mass spectrometry (GC–MS) was developed and validated. A substantial simplification of sample processing prior to quantification step was achieved: after addition of water to homogenized sample, transfer of hydrophobic analytes into ethyl acetate was supported by added inorganic salts. Bulk fat, contained in crude organic extract obtained by partition, was subsequently removed on a silica minicolumn. This approach enabled to process six samples in less than 1\\&\\#xa0;h; moreover, the volume of an extraction solvent and consumption of other chemicals can be significantly reduced compared to, e.g., traditional Soxhlet extraction followed by gel permeation chromatography. The recoveries of target analytes were in the range of 73–120\\% even at the lowest spiking level (1\\&\\#xa0;μg\\&\\#xa0;kg−1), repeatabilities (relative standard deviations, RSDs) ranged from 1 to 20\\%. Under optimized GC–MS conditions (time-of-flight mass analyzer, TOF), the limits of quantification (LOQs) were as follows: PCBs 0.1–0.5\\&\\#xa0;μg\\&\\#xa0;kg−1, PBDEs 0.5\\&\\#xa0;μg\\&\\#xa0;kg−1, and PAHs 0.05–0.25\\&\\#xa0;μg\\&\\#xa0;kg−1. Ambient mass spectrometry employing a direct analysis in real time (DART) ion source was shown as an effective tool for fat control in extract, which is needed during the method development and examination of unknown samples prior to the analysis. Further extension of a method scope by other similar analytes is easily possible.},\n\tnumber = {1–2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Kalachova, Kamila and Pulkrabova, Jana and Drabova, Lucie and Cajka, Tomas and Kocourek, Vladimir and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {DART, Fish, Fish; Shrimps; PCB; PBDE; PAH; GC–TOFMS; DART; AccuTOF, GC–TOFMS, PAH, PBDE, PCB, Shrimps},\n\tpages = {84--91},\n}\n\n\n\n
\n
\n\n\n
\n In this study, a new rapid and flexible method for the simultaneous determination of 18 key representatives of polychlorinated biphenyls (PCBs), 7 polybrominated diphenyl ethers (PBDEs), and 32 polycyclic aromatic hydrocarbons (PAHs) in fish and shrimps by gas chromatography coupled to mass spectrometry (GC–MS) was developed and validated. A substantial simplification of sample processing prior to quantification step was achieved: after addition of water to homogenized sample, transfer of hydrophobic analytes into ethyl acetate was supported by added inorganic salts. Bulk fat, contained in crude organic extract obtained by partition, was subsequently removed on a silica minicolumn. This approach enabled to process six samples in less than 1 h; moreover, the volume of an extraction solvent and consumption of other chemicals can be significantly reduced compared to, e.g., traditional Soxhlet extraction followed by gel permeation chromatography. The recoveries of target analytes were in the range of 73–120% even at the lowest spiking level (1 Î¼g kg−1), repeatabilities (relative standard deviations, RSDs) ranged from 1 to 20%. Under optimized GC–MS conditions (time-of-flight mass analyzer, TOF), the limits of quantification (LOQs) were as follows: PCBs 0.1–0.5 Î¼g kg−1, PBDEs 0.5 Î¼g kg−1, and PAHs 0.05–0.25 Î¼g kg−1. Ambient mass spectrometry employing a direct analysis in real time (DART) ion source was shown as an effective tool for fat control in extract, which is needed during the method development and examination of unknown samples prior to the analysis. Further extension of a method scope by other similar analytes is easily possible.\n
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\n \n\n \n \n \n \n \n \n Epiafzelechin from the Root Bark of Cassia sieberiana: Detection by DART Mass Spectrometry, Spectroscopic Characterization, and Antioxidant Properties.\n \n \n \n \n\n\n \n Kpegba, K.; Agbonon, A.; Petrovic, A. G.; Amouzou, E.; Gbeassor, M.; Proni, G.; and Nesnas, N.\n\n\n \n\n\n\n Journal of Natural Products, 74(3): 455–459. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"EpiafzelechinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kpegba_epiafzelechin_2011,\n\ttitle = {Epiafzelechin from the {Root} {Bark} of {Cassia} sieberiana: {Detection} by {DART} {Mass} {Spectrometry}, {Spectroscopic} {Characterization}, and {Antioxidant} {Properties}},\n\tvolume = {74},\n\tissn = {0163-3864, 1520-6025},\n\tshorttitle = {Epiafzelechin from the {Root} {Bark} of {Cassia} sieberiana},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/np100090e},\n\tdoi = {10.1021/np100090e},\n\tabstract = {The root bark of Cassia sieberiana was analyzed using direct analysis in real time mass spectrometry, and a main flavonoid component with an [M + H]+ mass of 275 was identified. The flavonoid, epiafzelechin, was isolated and fully characterized with the concerted use of NMR spectroscopy, circular dichroism, and optical rotation. Electronic circular dichroism and optical rotation TDDFT calculations were also performed, and their agreement with the experimental results confirmed the enantiomeric identity of the isolated natural product. The antioxidant activity of the compound was also investigated.},\n\tnumber = {3},\n\tjournal = {Journal of Natural Products},\n\tauthor = {Kpegba, Kafui and Agbonon, Amegnona and Petrovic, Ana G. and Amouzou, Etchri and Gbeassor, Messanvi and Proni, Gloria and Nesnas, Nasri},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {455--459},\n}\n\n\n\n
\n
\n\n\n
\n The root bark of Cassia sieberiana was analyzed using direct analysis in real time mass spectrometry, and a main flavonoid component with an [M + H]+ mass of 275 was identified. The flavonoid, epiafzelechin, was isolated and fully characterized with the concerted use of NMR spectroscopy, circular dichroism, and optical rotation. Electronic circular dichroism and optical rotation TDDFT calculations were also performed, and their agreement with the experimental results confirmed the enantiomeric identity of the isolated natural product. The antioxidant activity of the compound was also investigated.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry and its applications in chemical analysis.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Morlock, G. E.; and Revelsky, I. A.\n\n\n \n\n\n\n Russian Chemical Reviews, 80(3): 235. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_dart_2011,\n\ttitle = {{DART} mass spectrometry and its applications in chemical analysis},\n\tvolume = {80},\n\turl = {http://stacks.iop.org/0036-021X/80/i=3/a=R03},\n\tabstract = {Published data on the fundamental and applied aspects of DART mass spectrometry are surveyed. The DART ionization principles and the key parameters affecting the analytical characteristics of the method and the mass spectra of the determined compounds are considered. The advantages and drawbacks of DART mass spectrometry are discussed and the existing and prospective applications are outlined.},\n\tnumber = {3},\n\tjournal = {Russian Chemical Reviews},\n\tauthor = {Chernetsova, Elena S. and Morlock, G. E. and Revelsky, Igor A.},\n\tyear = {2011},\n\tkeywords = {review},\n\tpages = {235},\n}\n\n\n\n
\n
\n\n\n
\n Published data on the fundamental and applied aspects of DART mass spectrometry are surveyed. The DART ionization principles and the key parameters affecting the analytical characteristics of the method and the mass spectra of the determined compounds are considered. The advantages and drawbacks of DART mass spectrometry are discussed and the existing and prospective applications are outlined.\n
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\n \n\n \n \n \n \n \n \n Qualitative Analysis of Tackifier Resins in Pressure Sensitive Adhesives Using Direct Analysis in Real Time Time-of-Flight Mass Spectrometry.\n \n \n \n \n\n\n \n Mess, A.; Vietzke, J.; Rapp, C.; and Francke, W.\n\n\n \n\n\n\n Anal. Chem., 83(19): 7323–7330. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"QualitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{mess_qualitative_2011,\n\ttitle = {Qualitative {Analysis} of {Tackifier} {Resins} in {Pressure} {Sensitive} {Adhesives} {Using} {Direct} {Analysis} in {Real} {Time} {Time}-of-{Flight} {Mass} {Spectrometry}},\n\tvolume = {83},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac2011608},\n\tdoi = {10.1021/ac2011608},\n\tabstract = {Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1\\% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs. Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1\\% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.},\n\tnumber = {19},\n\tjournal = {Anal. Chem.},\n\tauthor = {Mess, Aylin and Vietzke, Jens-Peter and Rapp, Claudius and Francke, Wittko},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {7323--7330},\n}\n\n\n\n
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\n\n\n
\n Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs. Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.\n
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\n \n\n \n \n \n \n \n \n Microwave-Assisted Solution-Phase Synthesis and DART-Mass Spectrometric Monitoring of a Combinatorial Library of Indolin-2,3-dione Schiff Bases with Potential Antimycobacterial Activity.\n \n \n \n \n\n\n \n Aboul-Fadl, T.; Abdel-Aziz, H. A; Kadi, A.; Ahmad, P.; Elsaman, T.; Attwa, M. W; and Darwish, I. A\n\n\n \n\n\n\n Molecules, 16(6): 5194–5206. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"Microwave-AssistedPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{aboul-fadl_microwave-assisted_2011,\n\ttitle = {Microwave-{Assisted} {Solution}-{Phase} {Synthesis} and {DART}-{Mass} {Spectrometric} {Monitoring} of a {Combinatorial} {Library} of {Indolin}-2,3-dione {Schiff} {Bases} with {Potential} {Antimycobacterial} {Activity}},\n\tvolume = {16},\n\turl = {http://www.mdpi.com/1420-3049/16/6/5194/},\n\tabstract = {A combinatorial library composed of eleven hydrazides A-K and eleven indolin-1,2-dione derivatives 1-11 has been designed to formally generate sublibraries of 22 mixtures, M1-M22 comprising of 121 Schiff bases, A-K(1-11). The designed library has been synthesized by the solution-phase method and microwave-assisted synthetic techniques. The formation of individual compounds of each mixture was confirmed by Direct Analysis in Real Time (DART) as ionization technique connected to an Ion Trap as a mass detector. The synthesized mixtures were evaluated for their antimycobacterial activity against four Mycobacterium strains; M. intercellulari, M. xenopi, M. cheleneoi and M. smegmatis. Variable antimycobacterial activity was revealed with the investigated mixtures and maximum activity was shown by M8, M10, M11, and M15 with MIC values of 1.5, 3.1, 6.2 and 0.09 μg/mL, respectively. Application of the indexed method of analysis on these active mixtures revealed that compounds D8, D10 and D11 may contribute to the activity of the tested mixtures.},\n\tnumber = {6},\n\tjournal = {Molecules},\n\tauthor = {Aboul-Fadl, Tarek and Abdel-Aziz, Hatem A and Kadi, Adnan and Ahmad, Pervez and Elsaman, Tilal and Attwa, Mohamed W and Darwish, Ibrahim A},\n\tyear = {2011},\n\tpages = {5194--5206},\n}\n\n\n\n
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\n A combinatorial library composed of eleven hydrazides A-K and eleven indolin-1,2-dione derivatives 1-11 has been designed to formally generate sublibraries of 22 mixtures, M1-M22 comprising of 121 Schiff bases, A-K(1-11). The designed library has been synthesized by the solution-phase method and microwave-assisted synthetic techniques. The formation of individual compounds of each mixture was confirmed by Direct Analysis in Real Time (DART) as ionization technique connected to an Ion Trap as a mass detector. The synthesized mixtures were evaluated for their antimycobacterial activity against four Mycobacterium strains; M. intercellulari, M. xenopi, M. cheleneoi and M. smegmatis. Variable antimycobacterial activity was revealed with the investigated mixtures and maximum activity was shown by M8, M10, M11, and M15 with MIC values of 1.5, 3.1, 6.2 and 0.09 μg/mL, respectively. Application of the indexed method of analysis on these active mixtures revealed that compounds D8, D10 and D11 may contribute to the activity of the tested mixtures.\n
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\n \n\n \n \n \n \n \n \n Increasing the rate of sample vaporization in an open air desorption ionization source by using a heated metal screen as a sample holder.\n \n \n \n \n\n\n \n Krechmer, J.; Tice, J.; Crawford, E.; and Musselman, B.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(17): 2384–2388. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"IncreasingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{krechmer_increasing_2011,\n\ttitle = {Increasing the rate of sample vaporization in an open air desorption ionization source by using a heated metal screen as a sample holder},\n\tvolume = {25},\n\turl = {internal-pdf://RCM_2011_25_2384–2388-1552710943/RCM_2011_25_2384–2388.pdf},\n\tdoi = {10.1002/rcm.5133},\n\tabstract = {Rapid vaporization of sample into the ionizing gas exiting a direct analysis in real time (DARTW) source has been enabled by directing a high electrical current through a metal wire screen to which sample has been applied. This direct heating of the screen enables rapid vaporization of sample as the wire temperature rises from room temperature to greater than 400C in less than 20s. Positioning the screen between the DARTsource and atmospheric pressure inlet of the mass spectrometer ensures that the ionizing gas is in close proximity to the sample molecules, resulting in efficient ionization while significantly reducing the time required for mass spectrometric analysis. The capability to modulate the electrical current flow through the wires facilitates either rapid desorption for the determination of single component samples or slower desorption where analysis of mixtures might be desired. The technology also enables deployment of strategies for the determination of chemicals present as powders that might otherwise require dissolution prior to analysis. Results from the use of this thermally assisted DART (‘TA-DART’) system for the analysis of pure compounds, simple mixtures, solids and low vapor pressure samples are presented.},\n\tnumber = {17},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Krechmer, Jordan and Tice, Joseph and Crawford, Elizabeth and Musselman, Brian},\n\tyear = {2011},\n\tkeywords = {Agilent, Quad},\n\tpages = {2384--2388},\n}\n\n\n\n
\n
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\n Rapid vaporization of sample into the ionizing gas exiting a direct analysis in real time (DARTW) source has been enabled by directing a high electrical current through a metal wire screen to which sample has been applied. This direct heating of the screen enables rapid vaporization of sample as the wire temperature rises from room temperature to greater than 400C in less than 20s. Positioning the screen between the DARTsource and atmospheric pressure inlet of the mass spectrometer ensures that the ionizing gas is in close proximity to the sample molecules, resulting in efficient ionization while significantly reducing the time required for mass spectrometric analysis. The capability to modulate the electrical current flow through the wires facilitates either rapid desorption for the determination of single component samples or slower desorption where analysis of mixtures might be desired. The technology also enables deployment of strategies for the determination of chemicals present as powders that might otherwise require dissolution prior to analysis. Results from the use of this thermally assisted DART (‘TA-DART’) system for the analysis of pure compounds, simple mixtures, solids and low vapor pressure samples are presented.\n
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\n \n\n \n \n \n \n \n \n Surface swabbing technique for the rapid screening for pesticides using ambient pressure desorption ionization with high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Edison, S. E.; Lin, L. A.; Gamble, B. M.; Wong, J.; and Zhang, K.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(1): 127–139. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SurfacePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{edison_surface_2011,\n\ttitle = {Surface swabbing technique for the rapid screening for pesticides using ambient pressure desorption ionization with high-resolution mass spectrometry},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4831},\n\tdoi = {10.1002/rcm.4831},\n\tabstract = {A rapid screening method for pesticides has been developed to promote more efficient processing of produce entering the United States. Foam swabs were used to recover a multiclass mixture of 132 pesticides from the surfaces of grapes, apples, and oranges. The swabs were analyzed using direct analysis in real time (DART) ionization coupled with a high-resolution Exactive Orbitrap™ mass spectrometer. By using a DART helium temperature gradient from 100–350°C over 3 min, a minimal separation of analytes based on volatility differences was achieved. This, combined with the Exactive's mass resolution of 100 000, allowed the chromatographic step, along with the typical compositing and extraction steps associated with gas chromatography/mass spectrometry (GC/MS) or liquid chromatography/mass spectrometry (LC/MS) approaches, to be eliminated. Detection of 86\\% of the analytes present was consistently achieved at levels of 2 ng/g (per each apple or orange) and 10 ng/g (per grape). A resolution study was conducted with four pairs of isobaric compounds analyzed at a mass resolution of 100 000. Baseline separation was achieved with analyte ions differing in mass by 25 ppm and analyte ions with a mass difference of 10 ppm were partially resolved. In addition, field samples that had undergone traditional sample preparation using QuEChERS (quick, easy, cheap, rugged, and safe) were analyzed using both LC/MS and DART-MS and the results from the two techniques were found to be comparable in terms of identification of the pesticides present. The use of swabs greatly increased sample throughput by reducing sample preparation and analysis time. Published in 2010 by John Wiley \\& Sons, Ltd.},\n\tnumber = {1},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Edison, Sara. E. and Lin, Lora A. and Gamble, Bryan M. and Wong, Jon and Zhang, Kai},\n\tyear = {2011},\n\tkeywords = {Orbitrap},\n\tpages = {127--139},\n}\n\n\n\n
\n
\n\n\n
\n A rapid screening method for pesticides has been developed to promote more efficient processing of produce entering the United States. Foam swabs were used to recover a multiclass mixture of 132 pesticides from the surfaces of grapes, apples, and oranges. The swabs were analyzed using direct analysis in real time (DART) ionization coupled with a high-resolution Exactive Orbitrap™ mass spectrometer. By using a DART helium temperature gradient from 100–350°C over 3 min, a minimal separation of analytes based on volatility differences was achieved. This, combined with the Exactive's mass resolution of 100 000, allowed the chromatographic step, along with the typical compositing and extraction steps associated with gas chromatography/mass spectrometry (GC/MS) or liquid chromatography/mass spectrometry (LC/MS) approaches, to be eliminated. Detection of 86% of the analytes present was consistently achieved at levels of 2 ng/g (per each apple or orange) and 10 ng/g (per grape). A resolution study was conducted with four pairs of isobaric compounds analyzed at a mass resolution of 100 000. Baseline separation was achieved with analyte ions differing in mass by 25 ppm and analyte ions with a mass difference of 10 ppm were partially resolved. In addition, field samples that had undergone traditional sample preparation using QuEChERS (quick, easy, cheap, rugged, and safe) were analyzed using both LC/MS and DART-MS and the results from the two techniques were found to be comparable in terms of identification of the pesticides present. The use of swabs greatly increased sample throughput by reducing sample preparation and analysis time. Published in 2010 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Determination of drugs and drug-like compounds in different samples with direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n Mass Spectrometry Reviews, 30(5): 875–883. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{chernetsova_determination_2011,\n\ttitle = {Determination of drugs and drug-like compounds in different samples with direct analysis in real time mass spectrometry},\n\tvolume = {30},\n\tissn = {1098-2787},\n\turl = {http://dx.doi.org/10.1002/mas.20304},\n\tdoi = {10.1002/mas.20304},\n\tabstract = {Direct analysis in real time (DART), a relatively new ionization source for mass spectrometry, ionizes small-molecule components from different kinds of samples without any sample preparation and chromatographic separation. The current paper reviews the published data available on the determination of drugs and drug-like compounds in different matrices with DART-MS, including identification and quantitation issues. Parameters that affect ionization efficiency and mass spectra composition are also discussed. © 2011 Wiley Periodicals, Inc., Mass Spec Rev 30:875–883, 2011},\n\tnumber = {5},\n\tjournal = {Mass Spectrometry Reviews},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tyear = {2011},\n\tkeywords = {Ambient mass spectrometry, DART, Direct analysis in real time, drugs, identification, quantitation, review; direct analysis in real time; DART; drugs; identification; quantitation; ambient mass spectrometry},\n\tpages = {875--883},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART), a relatively new ionization source for mass spectrometry, ionizes small-molecule components from different kinds of samples without any sample preparation and chromatographic separation. The current paper reviews the published data available on the determination of drugs and drug-like compounds in different matrices with DART-MS, including identification and quantitation issues. Parameters that affect ionization efficiency and mass spectra composition are also discussed. © 2011 Wiley Periodicals, Inc., Mass Spec Rev 30:875–883, 2011\n
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\n \n\n \n \n \n \n \n Comparison of dielectric barrier discharge, atmospheric pressure radiofrequency-driven glow discharge and direct analysis in real time sources for ambient mass spectrometry of acetaminophen.\n \n \n \n\n\n \n Kratzera, J.; Mester, Z.; and Sturgeon, R. E.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 66(8): 594–603. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kratzera_comparison_2011,\n\ttitle = {Comparison of dielectric barrier discharge, atmospheric pressure radiofrequency-driven glow discharge and direct analysis in real time sources for ambient mass spectrometry of acetaminophen},\n\tvolume = {66},\n\tabstract = {Three plasma-based ambient pressure ion sources were investigated; laboratory constructed dielectric barrier and rf glow discharges, as well as a commercial corona discharge (DART source). All were used to desorb and ionize a model analyte, providing sampling techniques for ambient mass spectrometry (MS). Experimental parameters were optimized to achive highest signal for acetaminophen as the analyte. Insight into the mechanisms of analyte desorption and ionization was obtained by means of emission spectrometry and ion current measurements. Desorption and ionization mechanisms for this analyte appear to be identical for all three plasma sources. Emission spectra differ only in the intensities of various lines and bands. Desorption of solid analyte requires transfer of thermal energy from the plasma source to sample surface, in the absence of which complete loss of MS response occurs. For acetaminophen, helium was the best plasma gas, providing 100- to 1000-fold higher analyte response than with argon or nitrogen. The same trend was also evident with background ions (protonated water clusters). MS analyte signal intensity correlates with the ion density (expressed as ion current) in the plasma plume and with emission intensity from excited state species in the plasma. These observations support an ionization process which occurs via proton transfer from protonated water clusters to analyte molecules.},\n\tnumber = {8},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {Kratzera, Jan and Mester, Zoltán and Sturgeon, Ralph E.},\n\tyear = {2011},\n\tkeywords = {(AMS);, (APGD);, (DART);, (DBD);, Acetaminophen, Ambient, Atmospheric, Dielectric, Direct, analysis, barrier, discharge, glow, in, mass, pressure, real, rf, spectrometry, time},\n\tpages = {594--603},\n}\n\n\n\n
\n
\n\n\n
\n Three plasma-based ambient pressure ion sources were investigated; laboratory constructed dielectric barrier and rf glow discharges, as well as a commercial corona discharge (DART source). All were used to desorb and ionize a model analyte, providing sampling techniques for ambient mass spectrometry (MS). Experimental parameters were optimized to achive highest signal for acetaminophen as the analyte. Insight into the mechanisms of analyte desorption and ionization was obtained by means of emission spectrometry and ion current measurements. Desorption and ionization mechanisms for this analyte appear to be identical for all three plasma sources. Emission spectra differ only in the intensities of various lines and bands. Desorption of solid analyte requires transfer of thermal energy from the plasma source to sample surface, in the absence of which complete loss of MS response occurs. For acetaminophen, helium was the best plasma gas, providing 100- to 1000-fold higher analyte response than with argon or nitrogen. The same trend was also evident with background ions (protonated water clusters). MS analyte signal intensity correlates with the ion density (expressed as ion current) in the plasma plume and with emission intensity from excited state species in the plasma. These observations support an ionization process which occurs via proton transfer from protonated water clusters to analyte molecules.\n
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\n \n\n \n \n \n \n \n \n In-situ and Rapid Identification of Tea by Diect Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Zhang, J.; Zhang, W.; Zhou, Z.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Chinese Journal of Chromatography, 29(7): 681–686. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"In-situPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zhang_-situ_2011,\n\ttitle = {In-situ and {Rapid} {Identification} of {Tea} by {Diect} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {29},\n\turl = {internal-pdf://Chinese_J_Chromatog_2011_29_681-686-3771004963/Chinese_J_Chromatog_2011_29_681-686.pdf},\n\tabstract = {By applying an ambient mass spectrometric method-direct analysis in real time mass spectrometry (DART MS), a method was developed for rapid identification of the principal constituents in different kinds of tea. The identification of different kinds of tea was also achieved by characteristic mass spectrometric signals. Under atmospheric pressure, DART MS method does not require any sample preparation, greatly reduces the analysis time, realizes the in situ, rapid, accurate, and high-throughput analysis.},\n\tnumber = {7},\n\tjournal = {Chinese Journal of Chromatography},\n\tauthor = {Zhang, J. and Zhang, W. and Zhou, Z. and Bai, Y. and Liu, H.},\n\tyear = {2011},\n\tkeywords = {Ion, XCT, trap;},\n\tpages = {681--686},\n}\n\n\n\n
\n
\n\n\n
\n By applying an ambient mass spectrometric method-direct analysis in real time mass spectrometry (DART MS), a method was developed for rapid identification of the principal constituents in different kinds of tea. The identification of different kinds of tea was also achieved by characteristic mass spectrometric signals. Under atmospheric pressure, DART MS method does not require any sample preparation, greatly reduces the analysis time, realizes the in situ, rapid, accurate, and high-throughput analysis.\n
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\n \n\n \n \n \n \n \n \n Detection of illicit drugs on surfaces using direct analysis in real time (DART) time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Grange, A. H.; and Sovocool, G. W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(9): 1271–1281. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{grange_detection_2011,\n\ttitle = {Detection of illicit drugs on surfaces using direct analysis in real time ({DART}) time-of-flight mass spectrometry},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5009},\n\tdoi = {10.1002/rcm.5009},\n\tabstract = {Methamphetamine (meth) from meth syntheses or habitual meth smoking deposited on household surfaces poses human health hazards. The U.S. State Departments of Health require decontamination of sites where meth was synthesized (meth labs) before they are sold. National Institute for Occupational Safety and Health (NIOSH) methods for meth analysis require wipe sampling, extraction, clean-up, solvent exchange, derivatization, and/or mass spectral analysis using selected ion monitoring. Rapid and inexpensive analyses could screen for drug-contamination within structures with greater spatial resolution, provide real-time analyses during decontamination, and provide thorough documentation of successful clean ups. Herein an autosampler/open-air ion source time-of-flight mass spectrometric technique is described that required only direct sampling using cotton-swab wipes. Each wipe sample collection required 2 min and data acquisition required only 13 s per sample. Optimum collision-induced dissociation voltages, desorption gas temperatures, and wipe sample solvents were determined for 11 drugs. Peaks were observed in analyte-ion traces for 0.025 µg/100 cm2 of meth and seven other drugs. This level is half the detection limit of NIOSH methods and one-fourth of the lowest U.S. state decontamination limit for meth. Dynamic ranges of 100 in concentration were demonstrated for eight drugs, which is sufficient for a screening technique. The volatilities of 11 drugs deposited on glass were determined. The pick up of the drugs by solvent-soaked cotton-swab wipes from glass relative to acrylic latex paint was also compared. Published in 2011 by John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H. and Sovocool, G. Wayne},\n\tyear = {2011},\n\tpages = {1271--1281},\n}\n\n\n\n
\n
\n\n\n
\n Methamphetamine (meth) from meth syntheses or habitual meth smoking deposited on household surfaces poses human health hazards. The U.S. State Departments of Health require decontamination of sites where meth was synthesized (meth labs) before they are sold. National Institute for Occupational Safety and Health (NIOSH) methods for meth analysis require wipe sampling, extraction, clean-up, solvent exchange, derivatization, and/or mass spectral analysis using selected ion monitoring. Rapid and inexpensive analyses could screen for drug-contamination within structures with greater spatial resolution, provide real-time analyses during decontamination, and provide thorough documentation of successful clean ups. Herein an autosampler/open-air ion source time-of-flight mass spectrometric technique is described that required only direct sampling using cotton-swab wipes. Each wipe sample collection required 2 min and data acquisition required only 13 s per sample. Optimum collision-induced dissociation voltages, desorption gas temperatures, and wipe sample solvents were determined for 11 drugs. Peaks were observed in analyte-ion traces for 0.025 µg/100 cm2 of meth and seven other drugs. This level is half the detection limit of NIOSH methods and one-fourth of the lowest U.S. state decontamination limit for meth. Dynamic ranges of 100 in concentration were demonstrated for eight drugs, which is sufficient for a screening technique. The volatilities of 11 drugs deposited on glass were determined. The pick up of the drugs by solvent-soaked cotton-swab wipes from glass relative to acrylic latex paint was also compared. Published in 2011 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time coupled with dried spot sampling for bioanalysis in a drug-discovery setting.\n \n \n \n \n\n\n \n Crawford, E.; Gordon, J.; Wu, J.; Musselman, B.; Liu, R.; and Yu, S.\n\n\n \n\n\n\n Bioanalysis, 3(11): 1217–1226. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{crawford_direct_2011,\n\ttitle = {Direct analysis in real time coupled with dried spot sampling for bioanalysis in a drug-discovery setting},\n\tvolume = {3},\n\tissn = {1757-6180},\n\turl = {http://dx.doi.org/10.4155/bio.11.99},\n\tdoi = {10.4155/bio.11.99},\n\tabstract = {Background: Conventional mouse or rat pharmacokinetic/toxicokinetic (PK/TK) studies frequently require sacrifice or use of multiple animals for a full time-course in order to obtain adequate blood volume. Currently accepted LC–MS/MS analyses require tedious sample preparation and large blood volume, therefore, a bioanalytical method with a simpler blood-sampling procedure using fewer animals, lower sample volume and no additional sample preparation is desirable. Results: We have developed a method that combines the direct analysis in real time (DART) open-air ambient ionization source and MS/MS to directly analyze dried blood spots (DBS) on glass from low volume whole blood samples without additional sample preparation or manipulation of the spots. Single mouse serial bleeding was performed for sample collection for DART-MS/MS and the results were comparable to the conventional terminal bleeding method for LC–MS/MS. Conclusion: The DART-MS/MS method was applied to DBS sampling for PK/TK studies and also for in vitro screening of absorption, distribution, metabolism and excretion properties. The results from the DART-MS/MS approach correlated well with the LC–MS/MS analyses for comparison.},\n\tnumber = {11},\n\tjournal = {Bioanalysis},\n\tauthor = {Crawford, Elizabeth and Gordon, Justin and Wu, Jing-Tao and Musselman, Brian and Liu, Ray and Yu, Shaoxia},\n\tyear = {2011},\n\tpages = {1217--1226},\n}\n\n\n\n
\n
\n\n\n
\n Background: Conventional mouse or rat pharmacokinetic/toxicokinetic (PK/TK) studies frequently require sacrifice or use of multiple animals for a full time-course in order to obtain adequate blood volume. Currently accepted LC–MS/MS analyses require tedious sample preparation and large blood volume, therefore, a bioanalytical method with a simpler blood-sampling procedure using fewer animals, lower sample volume and no additional sample preparation is desirable. Results: We have developed a method that combines the direct analysis in real time (DART) open-air ambient ionization source and MS/MS to directly analyze dried blood spots (DBS) on glass from low volume whole blood samples without additional sample preparation or manipulation of the spots. Single mouse serial bleeding was performed for sample collection for DART-MS/MS and the results were comparable to the conventional terminal bleeding method for LC–MS/MS. Conclusion: The DART-MS/MS method was applied to DBS sampling for PK/TK studies and also for in vitro screening of absorption, distribution, metabolism and excretion properties. The results from the DART-MS/MS approach correlated well with the LC–MS/MS analyses for comparison.\n
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\n \n\n \n \n \n \n \n \n Thin Layer Chromatography/Plasma Assisted Multiwavelength Laser Desorption Ionization Mass Spectrometry for Facile Separation and Selective Identification of Low Molecular Weight Compounds.\n \n \n \n \n\n\n \n Zhang, J.; Zhou, Z.; Yang, J.; Zhang, W.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Anal. Chem., 84(3): 1496–1503. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ThinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zhang_thin_2011,\n\ttitle = {Thin {Layer} {Chromatography}/{Plasma} {Assisted} {Multiwavelength} {Laser} {Desorption} {Ionization} {Mass} {Spectrometry} for {Facile} {Separation} and {Selective} {Identification} of {Low} {Molecular} {Weight} {Compounds}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac202732y},\n\tdoi = {10.1021/ac202732y},\n\tabstract = {A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2. A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.},\n\tnumber = {3},\n\tjournal = {Anal. Chem.},\n\tauthor = {Zhang, Jialing and Zhou, Zhigui and Yang, Jianwang and Zhang, Wei and Bai, Yu and Liu, Huwei},\n\tyear = {2011},\n\tkeywords = {DART, LDI, TLC, laser desorption},\n\tpages = {1496--1503},\n}\n\n\n\n
\n
\n\n\n
\n A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2. A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.\n
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\n \n\n \n \n \n \n \n \n Identification of ambiguous cubeb fruit by DART-MS-based fingerprinting combined with principal component analysis.\n \n \n \n \n\n\n \n Kim, H. J.; Baek, W. S.; and Jang, Y. P.\n\n\n \n\n\n\n Food Chemistry, 129(3): 1305–1310. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kim_identification_2011,\n\ttitle = {Identification of ambiguous cubeb fruit by {DART}-{MS}-based fingerprinting combined with principal component analysis},\n\tvolume = {129},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814611007862},\n\tdoi = {10.1016/j.foodchem.2011.05.083},\n\tabstract = {The cubeb berry has been used as a spice and medicinal herb since medieval times. In China, Litsea cubeba (Lauraceae) has been designated as the cubeb tree; in other countries, Piper cubeba (Piperaceae) is considered as the cubeb. Since most cubeb berries in the Korean market are imported from China, there is a need to develop an efficient analytical method for the identification of the origin of cubeb fruit. Thirty-two commercial cubeb samples were collected from China, Korea, and Indonesia, and direct analysis in real time mass spectrometry (DART-MS) was employed to obtain a chemical fingerprint of each sample for multivariate analysis. Cubebene was identified as a marker molecule for P. cubeba, and all cubeb samples from Korean markets were identified as the fruit of L. cubeba. DART-MS fingerprinting together with principal component analysis can be applied as a promising method for rapid identification and/or quality control of cubeb berries.},\n\tnumber = {3},\n\tjournal = {Food Chemistry},\n\tauthor = {Kim, Hye Jin and Baek, Wan Sook and Jang, Young Pyo},\n\tyear = {2011},\n\tkeywords = {Cubeb berries, Cubeb berries; Piper cubeba; Litsea cubeba; DART-MS; Principal component analysis; AccuTOF, DART-MS, Litsea cubeba, Piper cubeba, Principal component analysis},\n\tpages = {1305--1310},\n}\n\n\n\n
\n
\n\n\n
\n The cubeb berry has been used as a spice and medicinal herb since medieval times. In China, Litsea cubeba (Lauraceae) has been designated as the cubeb tree; in other countries, Piper cubeba (Piperaceae) is considered as the cubeb. Since most cubeb berries in the Korean market are imported from China, there is a need to develop an efficient analytical method for the identification of the origin of cubeb fruit. Thirty-two commercial cubeb samples were collected from China, Korea, and Indonesia, and direct analysis in real time mass spectrometry (DART-MS) was employed to obtain a chemical fingerprint of each sample for multivariate analysis. Cubebene was identified as a marker molecule for P. cubeba, and all cubeb samples from Korean markets were identified as the fruit of L. cubeba. DART-MS fingerprinting together with principal component analysis can be applied as a promising method for rapid identification and/or quality control of cubeb berries.\n
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\n \n\n \n \n \n \n \n \n Some new features of Direct Analysis in Real Time mass spectrometry utilizing the desorption at an angle option.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Revelsky, A. I.; and Morlock, G. E.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(16): 2275–2282. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SomePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{chernetsova_new_2011,\n\ttitle = {Some new features of {Direct} {Analysis} in {Real} {Time} mass spectrometry utilizing the desorption at an angle option},\n\tvolume = {25},\n\turl = {internal-pdf://RCM_2011_25_2275–2282-3135072543/RCM_2011_25_2275–2282.pdf},\n\tdoi = {10.1002/rcm.5112},\n\tabstract = {The present study is a first step towards the unexplored capabilities of Direct Analysis in Real Time (DART) mass spectrometry (MS) arising from the possibility of the desorption at an angle: scanning analysis of surfaces, including the coupling of thin-layer chromatography (TLC) with DART-MS, and a more sensitive analysis due to the preliminary concentration of analytes dissolved in large volumes of liquids on glass surfaces. In order to select the most favorable conditions for DART-MS analysis, proper positioning of samples is important. Therefore, a simple and cheap technique for the visualization of the impact region of the DART gas stream onto a substrate was developed. A filter paper or TLC plate, previously loaded with the analyte, was immersed in a derivatization solution. On this substrate, owing to the impact of the hot DART gas, reaction of the analyte to a colored product occurred. An improved capability of detection of DART-MS for the analysis of liquids was demonstrated by applying large volumes of model solutions of coumaphos into small glass vessels and drying these solutions prior to DART-MS analysis under ambient conditions. This allowed the introduction of, by up to more than two orders of magnitude, increased quantities of analyte compared with the conventional DART-MS analysis of liquids. Through this improved detectability, the capabilities of DART-MS in trace analysis could be strengthened.},\n\tnumber = {16},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Chernetsova, Elena S. and Revelsky, Alexander I. and Morlock, Gertrud E.},\n\tyear = {2011},\n\tkeywords = {Agilent, Quad},\n\tpages = {2275--2282},\n}\n\n\n\n
\n
\n\n\n
\n The present study is a first step towards the unexplored capabilities of Direct Analysis in Real Time (DART) mass spectrometry (MS) arising from the possibility of the desorption at an angle: scanning analysis of surfaces, including the coupling of thin-layer chromatography (TLC) with DART-MS, and a more sensitive analysis due to the preliminary concentration of analytes dissolved in large volumes of liquids on glass surfaces. In order to select the most favorable conditions for DART-MS analysis, proper positioning of samples is important. Therefore, a simple and cheap technique for the visualization of the impact region of the DART gas stream onto a substrate was developed. A filter paper or TLC plate, previously loaded with the analyte, was immersed in a derivatization solution. On this substrate, owing to the impact of the hot DART gas, reaction of the analyte to a colored product occurred. An improved capability of detection of DART-MS for the analysis of liquids was demonstrated by applying large volumes of model solutions of coumaphos into small glass vessels and drying these solutions prior to DART-MS analysis under ambient conditions. This allowed the introduction of, by up to more than two orders of magnitude, increased quantities of analyte compared with the conventional DART-MS analysis of liquids. Through this improved detectability, the capabilities of DART-MS in trace analysis could be strengthened.\n
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\n \n\n \n \n \n \n \n \n Analysis of Alprazolam by DART-TOF Mass Spectrometry in Counterfeit and Routine Drug Identification Cases.\n \n \n \n \n\n\n \n Samms, W. C.; Jiang, Y. J.; Dixon, M. D.; Houck, S. S.; and Mozayani, A.\n\n\n \n\n\n\n Journal of Forensic Sciences, 56(4): 993–998. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{samms_analysis_2011,\n\ttitle = {Analysis of {Alprazolam} by {DART}-{TOF} {Mass} {Spectrometry} in {Counterfeit} and {Routine} {Drug} {Identification} {Cases}},\n\tvolume = {56},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2011.01767.x},\n\tdoi = {10.1111/j.1556-4029.2011.01767.x},\n\tabstract = {Abstract:  The high prevalence of alprazolam abuse translates to an increased workload for crime laboratories in characterizing seized tablets. These tablets may originate as diverted pharmaceuticals or counterfeited mimics, so efficient analytical techniques should provide confirmatory data while minimizing destruction of evidence. We offer the first report of a validated forensic method for confirming alprazolam tablets by direct analysis in real time–time of flight (DART-TOF) mass spectrometric analysis. This technique provides rapid identification of target analytes with minimal sample preparation, allowing direct analysis in the atmospheric sample gap. Selectivity is achieved through high resolution and mass accuracy, unique ion fragments, and chlorine isotopic ratios. This method utilizes fragmentation in two separate voltage functions to observe the alprazolam pseudo molecular ion at 309.09070 using 40 V and major ion fragments of 281.07197 and 205.07657 at 120 V. These parameters allow our laboratory to confirm alprazolam tablets efficiently, without compromising quality forensic standards.},\n\tnumber = {4},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Samms, Warren C. and Jiang, Yongyi Julia and Dixon, Mark D. and Houck, Stephen S. and Mozayani, Ashraf},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Direct analysis in real time, alprazolam, confirmation, controlled substances, counterfeit, forensic science},\n\tpages = {993--998},\n}\n\n\n\n
\n
\n\n\n
\n Abstract:  The high prevalence of alprazolam abuse translates to an increased workload for crime laboratories in characterizing seized tablets. These tablets may originate as diverted pharmaceuticals or counterfeited mimics, so efficient analytical techniques should provide confirmatory data while minimizing destruction of evidence. We offer the first report of a validated forensic method for confirming alprazolam tablets by direct analysis in real time–time of flight (DART-TOF) mass spectrometric analysis. This technique provides rapid identification of target analytes with minimal sample preparation, allowing direct analysis in the atmospheric sample gap. Selectivity is achieved through high resolution and mass accuracy, unique ion fragments, and chlorine isotopic ratios. This method utilizes fragmentation in two separate voltage functions to observe the alprazolam pseudo molecular ion at 309.09070 using 40 V and major ion fragments of 281.07197 and 205.07657 at 120 V. These parameters allow our laboratory to confirm alprazolam tablets efficiently, without compromising quality forensic standards.\n
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\n \n\n \n \n \n \n \n \n Purification of pharmaceutical preparations using thin-layer chromatography to obtain mass spectra with Direct Analysis in Real Time and accurate mass spectrometry.\n \n \n \n \n\n\n \n Wood, J. L.; and Steiner, R. R.\n\n\n \n\n\n\n Drug Testing and Analysis, 3(6): 345–351. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PurificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wood_purification_2011,\n\ttitle = {Purification of pharmaceutical preparations using thin-layer chromatography to obtain mass spectra with {Direct} {Analysis} in {Real} {Time} and accurate mass spectrometry},\n\tvolume = {3},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.293},\n\tdoi = {10.1002/dta.293},\n\tabstract = {Forensic analysis of pharmaceutical preparations requires a comparative analysis with a standard of the suspected drug in order to identify the active ingredient. Purchasing analytical standards can be expensive or unattainable from the drug manufacturers. Direct Analysis in Real Time (DART™) is a novel, ambient ionization technique, typically coupled with a JEOL AccuTOF™ (accurate mass) mass spectrometer. While a fast and easy technique to perform, a drawback of using DART™ is the lack of component separation of mixtures prior to ionization. Various in-house pharmaceutical preparations were purified using thin-layer chromatography (TLC) and mass spectra were subsequently obtained using the AccuTOF™- DART™ technique. Utilizing TLC prior to sample introduction provides a simple, low-cost solution to acquiring mass spectra of the purified preparation. Each spectrum was compared against an in-house molecular formula list to confirm the accurate mass elemental compositions. Spectra of purified ingredients of known pharmaceuticals were added to an in-house library for use as comparators for casework samples. Resolving isomers from one another can be accomplished using collision-induced dissociation after ionization. Challenges arose when the pharmaceutical preparation required an optimized TLC solvent to achieve proper separation and purity of the standard. Purified spectra were obtained for 91 preparations and included in an in-house drug standard library. Primary standards would only need to be purchased when pharmaceutical preparations not previously encountered are submitted for comparative analysis. TLC prior to DART™ analysis demonstrates a time efficient and cost saving technique for the forensic drug analysis community. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {6},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Wood, Jessica L. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Direct analysis in real time, forensic science, pharmaceutical preparations, thin-layer chromatography, time of flight},\n\tpages = {345--351},\n}\n\n\n\n
\n
\n\n\n
\n Forensic analysis of pharmaceutical preparations requires a comparative analysis with a standard of the suspected drug in order to identify the active ingredient. Purchasing analytical standards can be expensive or unattainable from the drug manufacturers. Direct Analysis in Real Time (DART™) is a novel, ambient ionization technique, typically coupled with a JEOL AccuTOF™ (accurate mass) mass spectrometer. While a fast and easy technique to perform, a drawback of using DART™ is the lack of component separation of mixtures prior to ionization. Various in-house pharmaceutical preparations were purified using thin-layer chromatography (TLC) and mass spectra were subsequently obtained using the AccuTOF™- DART™ technique. Utilizing TLC prior to sample introduction provides a simple, low-cost solution to acquiring mass spectra of the purified preparation. Each spectrum was compared against an in-house molecular formula list to confirm the accurate mass elemental compositions. Spectra of purified ingredients of known pharmaceuticals were added to an in-house library for use as comparators for casework samples. Resolving isomers from one another can be accomplished using collision-induced dissociation after ionization. Challenges arose when the pharmaceutical preparation required an optimized TLC solvent to achieve proper separation and purity of the standard. Purified spectra were obtained for 91 preparations and included in an in-house drug standard library. Primary standards would only need to be purchased when pharmaceutical preparations not previously encountered are submitted for comparative analysis. TLC prior to DART™ analysis demonstrates a time efficient and cost saving technique for the forensic drug analysis community. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Identification and semi-quantitative analysis of parabens and UV filters in cosmetic products by direct-analysis-in-real-time mass spectrometry and gas chromatography with mass spectrometric detection.\n \n \n \n \n\n\n \n Haunschmidt, M.; Buchberger, W.; Klampfl, C. W.; and Hertsens, R.\n\n\n \n\n\n\n Anal. Methods, 3(1): 99–104. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_identification_2011,\n\ttitle = {Identification and semi-quantitative analysis of parabens and {UV} filters in cosmetic products by direct-analysis-in-real-time mass spectrometry and gas chromatography with mass spectrometric detection},\n\tvolume = {3},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C0AY00588F},\n\tabstract = {A method based on direct-analysis-in-real-time mass spectrometry (DART-MS) for the qualitative and semi-quantitative analysis of eight organic UV filters and four parabens in twelve cosmetic products with substantially different formulations (as cream, milk, lotion, oil, lipstick) was developed. All tested substances could be identified unambiguously in the investigated samples without any sample pre-treatment. Direct analysis of cosmetic products allows semi-quantitative determination of parabens. For UV filters no satisfactory results were obtained by direct analysis but all analytes could be quantified by simply dissolving the samples in methanol, addition of an internal standard and subsequent measurement of the solution by DART-MS without further pre-treatment. The results obtained using DART-MS were confirmed by a more established method namely gas chromatography with mass spectrometric detection (GC-MS).},\n\tnumber = {1},\n\tjournal = {Anal. Methods},\n\tauthor = {Haunschmidt, Manuela and Buchberger, Wolfgang and Klampfl, Christian W. and Hertsens, Robert},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {99--104},\n}\n\n\n\n
\n
\n\n\n
\n A method based on direct-analysis-in-real-time mass spectrometry (DART-MS) for the qualitative and semi-quantitative analysis of eight organic UV filters and four parabens in twelve cosmetic products with substantially different formulations (as cream, milk, lotion, oil, lipstick) was developed. All tested substances could be identified unambiguously in the investigated samples without any sample pre-treatment. Direct analysis of cosmetic products allows semi-quantitative determination of parabens. For UV filters no satisfactory results were obtained by direct analysis but all analytes could be quantified by simply dissolving the samples in methanol, addition of an internal standard and subsequent measurement of the solution by DART-MS without further pre-treatment. The results obtained using DART-MS were confirmed by a more established method namely gas chromatography with mass spectrometric detection (GC-MS).\n
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\n \n\n \n \n \n \n \n \n Rapid screening for synthetic antidiabetic drug adulteration in herbal dietary supplements using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Zhou, Z.; Zhang, J.; Zhang, W.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analyst, 136(12): 2613–2618. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{zhou_rapid_2011,\n\ttitle = {Rapid screening for synthetic antidiabetic drug adulteration in herbal dietary supplements using direct analysis in real time mass spectrometry},\n\tvolume = {136},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C0AN01047B},\n\tabstract = {Adulteration of herbal supplements with synthetic drugs is illegal. A rapid and reliable method which utilizes direct analysis in real time mass spectrometry (DART-MS) was developed for the identification of seven synthetic antidiabetic drugs used as adulterants in herbal dietary supplements. The supplement sample was simply extracted with methanol/water by manually shaking several times and directly analyzed using DART-MS. The presence of synthetic drug adulterants was confirmed through the accurate m/z values and MS/MS data obtained via quadruple time of flight mass spectrometry (QTOF MS). Parameters for the DART source were systematically optimized, and the limits of detection (LODs) in herbal supplement matrices were measured. This method was successfully applied to examine five commercial herbal dietary supplements, and two of them proved to be adulterated with metformin without labeling.},\n\tnumber = {12},\n\tjournal = {Analyst},\n\tauthor = {Zhou, Zhigui and Zhang, Jialing and Zhang, Wei and Bai, Yu and Liu, Huwei},\n\tyear = {2011},\n\tpages = {2613--2618},\n}\n\n\n\n
\n
\n\n\n
\n Adulteration of herbal supplements with synthetic drugs is illegal. A rapid and reliable method which utilizes direct analysis in real time mass spectrometry (DART-MS) was developed for the identification of seven synthetic antidiabetic drugs used as adulterants in herbal dietary supplements. The supplement sample was simply extracted with methanol/water by manually shaking several times and directly analyzed using DART-MS. The presence of synthetic drug adulterants was confirmed through the accurate m/z values and MS/MS data obtained via quadruple time of flight mass spectrometry (QTOF MS). Parameters for the DART source were systematically optimized, and the limits of detection (LODs) in herbal supplement matrices were measured. This method was successfully applied to examine five commercial herbal dietary supplements, and two of them proved to be adulterated with metformin without labeling.\n
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\n \n\n \n \n \n \n \n \n Evaluation of direct analysis in real time mass spectrometry for onsite monitoring of batch slurry reactions.\n \n \n \n \n\n\n \n Cho, D. S.; Gibson, S. C.; Bhandari, D.; McNally, M. E.; Hoffman, R. M.; Cook, K. D.; and Song, L.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(23): 3575–3580. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cho_evaluation_2011,\n\ttitle = {Evaluation of direct analysis in real time mass spectrometry for onsite monitoring of batch slurry reactions},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5269},\n\tdoi = {10.1002/rcm.5269},\n\tabstract = {Batch slurry reactions are widely used in the industrial manufacturing of chemicals, pharmaceuticals, petrochemicals and polymers. However, onsite monitoring of batch slurry reactions is still not feasible in production plants due to the challenge in analyzing heterogeneous samples without complicated sample preparation procedures. In this study, direct analysis in real time mass spectrometry (DART-MS) has been evaluated for the onsite monitoring of a model batch slurry reaction. The results suggested that automation of the sampling process of DART-MS is important to achieve quantitative results. With a sampling technique of manual sample deposition on melting point capillaries followed by automatic sample introduction across the helium beam, relative standard deviation (RSD) of the protonated molecule signals from the reaction product of the model batch slurry reaction ranged from 6 to 30\\%. This RSD range is improved greatly over a sampling technique of manual sample deposition followed by manual sample introduction where the RSDs are up to 110\\%. Furthermore, with the semi-automated sampling approach, semi-quantitative analysis of slurry samples has been achieved. Better quantification is expected with a fully automated sampling approach. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {23},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Cho, David S. and Gibson, Stephen C. and Bhandari, Deepak and McNally, Mary Ellen and Hoffman, Ron M. and Cook, Kelsey D. and Song, Liguo},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {3575--3580},\n}\n\n\n\n
\n
\n\n\n
\n Batch slurry reactions are widely used in the industrial manufacturing of chemicals, pharmaceuticals, petrochemicals and polymers. However, onsite monitoring of batch slurry reactions is still not feasible in production plants due to the challenge in analyzing heterogeneous samples without complicated sample preparation procedures. In this study, direct analysis in real time mass spectrometry (DART-MS) has been evaluated for the onsite monitoring of a model batch slurry reaction. The results suggested that automation of the sampling process of DART-MS is important to achieve quantitative results. With a sampling technique of manual sample deposition on melting point capillaries followed by automatic sample introduction across the helium beam, relative standard deviation (RSD) of the protonated molecule signals from the reaction product of the model batch slurry reaction ranged from 6 to 30%. This RSD range is improved greatly over a sampling technique of manual sample deposition followed by manual sample introduction where the RSDs are up to 110%. Furthermore, with the semi-automated sampling approach, semi-quantitative analysis of slurry samples has been achieved. Better quantification is expected with a fully automated sampling approach. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Analytical methods for the quantification of volatile aromatic compounds.\n \n \n \n\n\n \n Biniecka, M.; and Caroli, S.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry, 30(11): 1756–1770. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{biniecka_analytical_2011,\n\ttitle = {Analytical methods for the quantification of volatile aromatic compounds},\n\tvolume = {30},\n\tabstract = {The investigation of odorants is not an easy task, which needs to be undertaken in the context of fit-for-purpose quality systems. To date, great attention has been paid to determination of the volatile fractions of odorants, since they are responsible for the attributes of global flavor [i.e. a combination of olfactory (aroma) and gustatory (taste) sensations produced by chemicals]. This kind of determination can be carried out by analytical techniques [e.g., gas chromatography (GC) combined with mass spectrometry and/or olfactometric GC]. Methods complementary to GC analysis are available, allowing assessment of the olfactory impact by an electronic nose (e-nose) or a panel of selected individuals. Also, we consider some innovative analytical techniques to study the effects of odorants in food during consumption.},\n\tnumber = {11},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Biniecka, Małgorzata and Caroli, Sergio},\n\tyear = {2011},\n\tkeywords = {Analytical, Electronic, Gas, Odorant, Olfactometric, Volatile, aromatic, chromatography;, compound, determination;, food, mass, method;, nose;, odorant;, spectrometry;},\n\tpages = {1756--1770},\n}\n\n\n\n
\n
\n\n\n
\n The investigation of odorants is not an easy task, which needs to be undertaken in the context of fit-for-purpose quality systems. To date, great attention has been paid to determination of the volatile fractions of odorants, since they are responsible for the attributes of global flavor [i.e. a combination of olfactory (aroma) and gustatory (taste) sensations produced by chemicals]. This kind of determination can be carried out by analytical techniques [e.g., gas chromatography (GC) combined with mass spectrometry and/or olfactometric GC]. Methods complementary to GC analysis are available, allowing assessment of the olfactory impact by an electronic nose (e-nose) or a panel of selected individuals. Also, we consider some innovative analytical techniques to study the effects of odorants in food during consumption.\n
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\n \n\n \n \n \n \n \n \n Precursors and Formation of Pyrithione and Other Pyridyl-Containing Sulfur Compounds in Drumstick Onion, Allium stipitatum.\n \n \n \n \n\n\n \n Kubec, R.; KrejcÌŒovaÌ, P.; SÌŒimek, P.; Václavík, L.; HajsÌŒlovaÌ, J.; and Schraml, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(10): 5763–5770. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PrecursorsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{kubec_precursors_2011,\n\ttitle = {Precursors and {Formation} of {Pyrithione} and {Other} {Pyridyl}-{Containing} {Sulfur} {Compounds} in {Drumstick} {Onion}, {Allium} stipitatum},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf200704n},\n\tdoi = {10.1021/jf200704n},\n\tabstract = {Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product. Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.},\n\tnumber = {10},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Kubec, Roman and KrejcÌŒovaÌ, Petra and SÌŒimek, Petr and Václavík, LukásÌŒ and HajsÌŒlovaÌ, Jana and Schraml, Jan},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Allium, DART-MS;, N-oxide;, S-(2-pyridyl)cysteine, acid;, marasmin;, pyrithione;, stipitatum;, sulfenic},\n\tpages = {5763--5770},\n}\n\n\n\n
\n
\n\n\n
\n Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product. Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.\n
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\n \n\n \n \n \n \n \n Simple and Rapid Screening for Methamphetamine and 3,4-Methylene- dioxymethamphetamine (MDMA) and Their Metabolites in Urine Using Direct Analysis in Real Time (DART)-TOFMS.\n \n \n \n\n\n \n Kawamura, M.; Kikura-Hanajiri, R.; and Goda, Y.\n\n\n \n\n\n\n Yakugaku Zasshi, 131(5): 827–833. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{kawamura_simple_2011,\n\ttitle = {Simple and {Rapid} {Screening} for {Methamphetamine} and 3,4-{Methylene}- dioxymethamphetamine ({MDMA}) and {Their} {Metabolites} in {Urine} {Using} {Direct} {Analysis} in {Real} {Time} ({DART})-{TOFMS}},\n\tvolume = {131},\n\tdoi = {10.1248/yakushi.131.827},\n\tabstract = {An ionization technique, direct analysis in real time (DART) has recently been developed for the ambient ionization of a variety samples. The DART coupled with time-of-flight mass spectrometry (TOFMS) would be useful as a simple and rapid screening for the targeted compounds in various samples, because it provides the molecular information of these compounds without time-consuming extraction. In this study, we investigated rapid screening methods of illicit drugs and their metabolites, such as methamphetamine (MA), 3,4-methylenedioxymethamphetamine (MDMA), amphetamine (AP) and 3,4-methylenedioxyamphetamine (MDA) in human urine using DART-TOFMS. As serious matrix effects caused by urea in urine samples and ionizations of the targeted compounds were greatly suppressed in the DART-TOFMS analyses, simple pretreatment methods to remove the urea from the samples were investigated. When a pipette tip-type solid-phase extraction with a dichloromethane and isopropanol mixed solution as an eluent was used for the pretreatment, the limits of detection (LODs) of 4 compounds added to control urine samples were 0.25 μg/ml. On the other hand, the LODs of these compounds were 0.5 μg/ml by a liquid-liquid extraction using a dichloromethane and hexane mixed solution. In both extractions, the recoveries of 4 compounds from urine samples were over 70\\% and these extraction methods showed good linearity in the range of 0.5-5 μg/ml by GC-MS analyses. In conclusion, our proposed method using DART-TOFMS could simultaneously detect MA, MDMA and their metabolites in urine at 0.5 μg/ml without time-consuming pretreatment steps. Therefore it would be useful for screening drugs in urine with the molecular information.},\n\tnumber = {5},\n\tjournal = {Yakugaku Zasshi},\n\tauthor = {Kawamura, M. and Kikura-Hanajiri, R. and Goda, Y.},\n\tyear = {2011},\n\tkeywords = {4-methylenedioxymethamphetamine; urine; time-of-flight mass spectrometry; AccuTOF, direct analysis in real time; methamphetamine; 3},\n\tpages = {827--833},\n}\n\n\n\n
\n
\n\n\n
\n An ionization technique, direct analysis in real time (DART) has recently been developed for the ambient ionization of a variety samples. The DART coupled with time-of-flight mass spectrometry (TOFMS) would be useful as a simple and rapid screening for the targeted compounds in various samples, because it provides the molecular information of these compounds without time-consuming extraction. In this study, we investigated rapid screening methods of illicit drugs and their metabolites, such as methamphetamine (MA), 3,4-methylenedioxymethamphetamine (MDMA), amphetamine (AP) and 3,4-methylenedioxyamphetamine (MDA) in human urine using DART-TOFMS. As serious matrix effects caused by urea in urine samples and ionizations of the targeted compounds were greatly suppressed in the DART-TOFMS analyses, simple pretreatment methods to remove the urea from the samples were investigated. When a pipette tip-type solid-phase extraction with a dichloromethane and isopropanol mixed solution as an eluent was used for the pretreatment, the limits of detection (LODs) of 4 compounds added to control urine samples were 0.25 μg/ml. On the other hand, the LODs of these compounds were 0.5 μg/ml by a liquid-liquid extraction using a dichloromethane and hexane mixed solution. In both extractions, the recoveries of 4 compounds from urine samples were over 70% and these extraction methods showed good linearity in the range of 0.5-5 μg/ml by GC-MS analyses. In conclusion, our proposed method using DART-TOFMS could simultaneously detect MA, MDMA and their metabolites in urine at 0.5 μg/ml without time-consuming pretreatment steps. Therefore it would be useful for screening drugs in urine with the molecular information.\n
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\n \n\n \n \n \n \n \n Utilizing DART Mass Spectrometry to Pinpoint Halogenated Metabolites from a Marine Invertebrate-Derived Fungus.\n \n \n \n\n\n \n Watts, K. R.; Loveridge, S. T.; Tenney, K.; Media, J.; Valeriote, F. A.; and Crews, P.\n\n\n \n\n\n\n Journal of Organic Chemistry, 76(15): 6201–6208. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{watts_utilizing_2011,\n\ttitle = {Utilizing {DART} {Mass} {Spectrometry} to {Pinpoint} {Halogenated} {Metabolites} from a {Marine} {Invertebrate}-{Derived} {Fungus}},\n\tvolume = {76},\n\tabstract = {Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using Direct Analysis in Real Time (DART) Mass Spectrometry, these compounds were initially detected from spores of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogs, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.},\n\tnumber = {15},\n\tjournal = {Journal of Organic Chemistry},\n\tauthor = {Watts, Katharine R. and Loveridge, Steven T. and Tenney, Karen and Media, Joseph and Valeriote, Frederick A. and Crews, Phillip},\n\tyear = {2011},\n\tpages = {6201--6208},\n}\n\n\n\n
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\n Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using Direct Analysis in Real Time (DART) Mass Spectrometry, these compounds were initially detected from spores of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogs, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Coupled to Multiplexed Drift Tube Ion Mobility Spectrometry for Detecting Toxic Chemicals.\n \n \n \n \n\n\n \n Harris, G. A.; Kwasnik, M.; and Fernández, F. M.\n\n\n \n\n\n\n Anal. Chem., 83(6): 1908–1915. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{harris_direct_2011,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Coupled} to {Multiplexed} {Drift} {Tube} {Ion} {Mobility} {Spectrometry} for {Detecting} {Toxic} {Chemicals}},\n\tvolume = {83},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac102246h},\n\tdoi = {10.1021/ac102246h},\n\tabstract = {Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95\\% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81\\% v/v for DMMP, 1.13\\% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28\\% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections. Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95\\% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81\\% v/v for DMMP, 1.13\\% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28\\% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.},\n\tnumber = {6},\n\tjournal = {Anal. Chem.},\n\tauthor = {Harris, Glenn A. and Kwasnik, Mark and Fernández, Facundo M.},\n\tyear = {2011},\n\tpages = {1908--1915},\n}\n\n\n\n
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\n Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81% v/v for DMMP, 1.13% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections. Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81% v/v for DMMP, 1.13% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.\n
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\n \n\n \n \n \n \n \n \n Practical considerations for the rapid screening for pesticides using ambient pressure desorption ionisation with high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Edison, S.; Lin, L.; and Parrales, L.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 28(10): 1393–1404. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PracticalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{edison_practical_2011,\n\ttitle = {Practical considerations for the rapid screening for pesticides using ambient pressure desorption ionisation with high-resolution mass spectrometry},\n\tvolume = {28},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2011.596165},\n\tdoi = {10.1080/19440049.2011.596165},\n\tabstract = {A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80\\% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode. A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80\\% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.},\n\tnumber = {10},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Edison, S.E. and Lin, L.A. and Parrales, L.},\n\tyear = {2011},\n\tpages = {1393--1404},\n}\n\n\n\n
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\n A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode. A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.\n
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\n \n\n \n \n \n \n \n \n Challenging applications offered by direct analysis in real time (DART) in food-quality and safety analysis.\n \n \n \n \n\n\n \n Hajslova, J.; Cajka, T.; and Vaclavik, L.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry, 30(2): 204–218. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ChallengingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{hajslova_challenging_2011,\n\ttitle = {Challenging applications offered by direct analysis in real time ({DART}) in food-quality and safety analysis},\n\tvolume = {30},\n\tissn = {0165-9936},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0165993610003134},\n\tdoi = {10.1016/j.trac.2010.11.001},\n\tabstract = {Direct analysis in real time (DART) is an ambient ionization technique undergoing rapid development. With minimal sample pre-treatment, ionization of analyte molecules outside the mass spectrometry (MS) instrument in the ordinary atmosphere is feasible. This ionization approach relies upon the fundamental principles of atmospheric pressure chemical ionization. The current review highlights and critically assesses application of DART (and some related desorption/ionization techniques) coupled to various types of MS analyzers for both target and non-target analysis of complex food matrices. Based on existing studies, DART-MS is presented as a simple, high-throughput tool for:(i) qualitative confirmation of chemical identity; (ii) metabolomic fingerprinting/profiling; and, (iii) quantification of low-molecular-weight food components, including some trace organic contaminants. With regard to regulatory requirements, we mention practical aspects of DART-MS use, as well as performance characteristics that can be attained.},\n\tnumber = {2},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Hajslova, Jana and Cajka, Tomas and Vaclavik, Lukas},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Ambient ionization, Atmospheric pressure chemical ionization, Contaminant, DART, Direct analysis in real time, Fingerprinting, Food quality, Food safety, Profiling, mass spectrometry},\n\tpages = {204--218},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is an ambient ionization technique undergoing rapid development. With minimal sample pre-treatment, ionization of analyte molecules outside the mass spectrometry (MS) instrument in the ordinary atmosphere is feasible. This ionization approach relies upon the fundamental principles of atmospheric pressure chemical ionization. The current review highlights and critically assesses application of DART (and some related desorption/ionization techniques) coupled to various types of MS analyzers for both target and non-target analysis of complex food matrices. Based on existing studies, DART-MS is presented as a simple, high-throughput tool for:(i) qualitative confirmation of chemical identity; (ii) metabolomic fingerprinting/profiling; and, (iii) quantification of low-molecular-weight food components, including some trace organic contaminants. With regard to regulatory requirements, we mention practical aspects of DART-MS use, as well as performance characteristics that can be attained.\n
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\n \n\n \n \n \n \n \n \n Thin layer chromatography/mass spectrometry.\n \n \n \n \n\n\n \n Cheng, S.; Huang, M.; and Shiea, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1218(19): 2700–2711. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ThinPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{cheng_thin_2011,\n\ttitle = {Thin layer chromatography/mass spectrometry},\n\tvolume = {1218},\n\turl = {http://dx.doi.org/10.1016/j.chroma.2011.01.077},\n\tabstract = {Thin layer chromatography (TLC)—a simple, cost-effective, and easy-to-operate planar chromatographic technique—has been used in general chemistry laboratories for several decades to routinely separate chemical and biochemical compounds. Traditionally, chemical and optical methods are employed to visualize the analyte spots on the TLC plate. Because direct identification and structural characterization of the analytes on the TLC plate through these methods are not possible, there has been long-held interest in the development of interfaces that allow TLC to be combined with mass spectrometry (MS)—one of the most efficient analytical tools for structural elucidation. So far, many different TLC–MS techniques have been reported in the literature; some are commercially available. According to differences in their operational processes, the existing TLC–MS systems can be classified into two categories: (i) indirect mass spectrometric analyses, performed by scraping, extracting, purifying, and concentrating the analyte from the TLC plate and then directing it into the mass spectrometer's ion source for further analysis; (ii) direct mass spectrometric analyses, where the analyte on the TLC plate is characterized directly through mass spectrometry without the need for scraping, extraction, or concentration processes. Conventionally, direct TLC–MS analysis is performed under vacuum, but the development of ambient mass spectrometry has allowed analytes on TLC plates to be characterized under atmospheric pressure. Thus, TLC–MS techniques can also be classified into two other categories according to the working environment of the ion source: vacuum-based TLC–MS or ambient TLC–MS. This review article describes the state of the art of TLC–MS techniques used for indirect and direct characterization of analytes on the surfaces of TLC plates.},\n\tnumber = {19},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Cheng, Sy-Chyi and Huang, Min-Zong and Shiea, Jentaie},\n\tyear = {2011},\n\tkeywords = {Ambient, Desorption/ionization;, Direct, Indirect, TLC–MS;, Vacuum-based, ionization;, review;, sampling, sampling;},\n\tpages = {2700--2711},\n}\n\n\n\n
\n
\n\n\n
\n Thin layer chromatography (TLC)—a simple, cost-effective, and easy-to-operate planar chromatographic technique—has been used in general chemistry laboratories for several decades to routinely separate chemical and biochemical compounds. Traditionally, chemical and optical methods are employed to visualize the analyte spots on the TLC plate. Because direct identification and structural characterization of the analytes on the TLC plate through these methods are not possible, there has been long-held interest in the development of interfaces that allow TLC to be combined with mass spectrometry (MS)—one of the most efficient analytical tools for structural elucidation. So far, many different TLC–MS techniques have been reported in the literature; some are commercially available. According to differences in their operational processes, the existing TLC–MS systems can be classified into two categories: (i) indirect mass spectrometric analyses, performed by scraping, extracting, purifying, and concentrating the analyte from the TLC plate and then directing it into the mass spectrometer's ion source for further analysis; (ii) direct mass spectrometric analyses, where the analyte on the TLC plate is characterized directly through mass spectrometry without the need for scraping, extraction, or concentration processes. Conventionally, direct TLC–MS analysis is performed under vacuum, but the development of ambient mass spectrometry has allowed analytes on TLC plates to be characterized under atmospheric pressure. Thus, TLC–MS techniques can also be classified into two other categories according to the working environment of the ion source: vacuum-based TLC–MS or ambient TLC–MS. This review article describes the state of the art of TLC–MS techniques used for indirect and direct characterization of analytes on the surfaces of TLC plates.\n
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\n \n\n \n \n \n \n \n \n Analysis of printing and writing papers by using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Adams, J.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 301(1–3): 109–126. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{adams_analysis_2011,\n\ttitle = {Analysis of printing and writing papers by using direct analysis in real time mass spectrometry},\n\tvolume = {301},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380610002617},\n\tdoi = {10.1016/j.ijms.2010.07.025},\n\tabstract = {A quick and direct method for identifying organic components of papers in library and archival collections with minimal destructive sampling is needed for preservation, forensic, and general purposes. Direct analysis in real time mass spectrometry (DART-MS) is used for characterizing 16 reference papers of known manufacture in terms of their pulp composition and pitch contaminants. Unique mass spectra are obtained from bleached kraft, chemithermomechanical, and stone groundwood pulp papers in real time without extractions, derivatizations, chromatographic separations, and other time- and chemical-consuming sample preparations. Phytosteroids are volatilized from bleached hardwood kraft but not from bleached softwood kraft papers, which differentiates the two of them. The kraft papers are in turn differentiated from chemithermomechanical pulp papers by lignin-derived thermolyis products: syringyl products arise from hardwood, but guaiacyl and coumaryl products arise from softwood, chemithermomechanical pulp papers. Stone groundwood papers contain a number of extractives that are volatilized, which serve to differentiate them from all the other papers. Papers that contain rosin vs. alkyl ketene dimer (AKD) sizings are immediately differentiated. The DART-MS methodology is fast and simple, and the spectra are repeatable. Microsamples as small as ∼10\\&\\#xa0;μg tweezed from the paper surface may be analyzed. These benchmark spectra are the prelude to further applications of DART-MS in paper research and the beginning of the development of a searchable library of DART-MS spectra of printing and writing papers by the Library of Congress.},\n\tnumber = {1–3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Adams, Jeanette},\n\tyear = {2011},\n\tkeywords = {AccuTOF, DART, Direct analysis in real time, Extractives, Lignin, Paper, Pulp},\n\tpages = {109--126},\n}\n\n\n\n
\n
\n\n\n
\n A quick and direct method for identifying organic components of papers in library and archival collections with minimal destructive sampling is needed for preservation, forensic, and general purposes. Direct analysis in real time mass spectrometry (DART-MS) is used for characterizing 16 reference papers of known manufacture in terms of their pulp composition and pitch contaminants. Unique mass spectra are obtained from bleached kraft, chemithermomechanical, and stone groundwood pulp papers in real time without extractions, derivatizations, chromatographic separations, and other time- and chemical-consuming sample preparations. Phytosteroids are volatilized from bleached hardwood kraft but not from bleached softwood kraft papers, which differentiates the two of them. The kraft papers are in turn differentiated from chemithermomechanical pulp papers by lignin-derived thermolyis products: syringyl products arise from hardwood, but guaiacyl and coumaryl products arise from softwood, chemithermomechanical pulp papers. Stone groundwood papers contain a number of extractives that are volatilized, which serve to differentiate them from all the other papers. Papers that contain rosin vs. alkyl ketene dimer (AKD) sizings are immediately differentiated. The DART-MS methodology is fast and simple, and the spectra are repeatable. Microsamples as small as ∼10 Î¼g tweezed from the paper surface may be analyzed. These benchmark spectra are the prelude to further applications of DART-MS in paper research and the beginning of the development of a searchable library of DART-MS spectra of printing and writing papers by the Library of Congress.\n
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\n \n\n \n \n \n \n \n \n A rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by direct analysis in real-time mass spectrometry.\n \n \n \n \n\n\n \n Kim, S. W.; Kim, H. J.; Kim, J. H.; Kwon, Y. K.; Ahn, M. S.; Jang, Y. P.; and Liu, J. R\n\n\n \n\n\n\n Plant Methods, 7(1): 1–10. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kim_rapid_2011,\n\ttitle = {A rapid, simple method for the genetic discrimination of intact {Arabidopsis} thaliana mutant seeds using metabolic profiling by direct analysis in real-time mass spectrometry},\n\tvolume = {7},\n\tissn = {1746-4811},\n\turl = {http://www.plantmethods.com/content/7/1/14},\n\tdoi = {10.1186/1746-4811-7-14},\n\tabstract = {Background Efficient high throughput screening systems of useful mutants are prerequisite for study of plant functional genomics and lots of application fields. Advance in such screening tools, thanks to the development of analytic instruments. Direct analysis in real-time (DART)-mass spectrometry (MS) by ionization of complex materials at atmospheric pressure is a rapid, simple, high-resolution analytical technique. Here we describe a rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by DART-MS. Results To determine whether this DART-MS combined by multivariate analysis can perform genetic discrimination based on global metabolic profiling, intact Arabidopsis thaliana mutant seeds were subjected to DART-MS without any sample preparation. Partial least squares-discriminant analysis (PLS-DA) of DART-MS spectral data from intact seeds classified 14 different lines of seeds into two distinct groups: Columbia (Col-0) and Landsberg erecta (Ler) ecotype backgrounds. A hierarchical dendrogram based on partial least squares-discriminant analysis (PLS-DA) subdivided the Col-0 ecotype into two groups: mutant lines harboring defects in the phenylpropanoid biosynthetic pathway and mutants without these defects. These results indicated that metabolic profiling with DART-MS could discriminate intact Arabidopsis seeds at least ecotype level and metabolic pathway level within same ecotype. Conclusion The described DART-MS combined by multivariate analysis allows for rapid screening and metabolic characterization of lots of Arabidopsis mutant seeds without complex metabolic preparation steps. Moreover, potential novel metabolic markers can be detected and used to clarify the genetic relationship between Arabidopsis cultivars. Furthermore this technique can be applied to predict the novel gene function of metabolic mutants regardless of morphological phenotypes.},\n\tnumber = {1},\n\tjournal = {Plant Methods},\n\tauthor = {Kim, Suk Weon and Kim, Hye Jin and Kim, Jong Hyun and Kwon, Yong Kook and Ahn, Myung Suk and Jang, Young Pyo and Liu, Jang R},\n\tyear = {2011},\n\tkeywords = {(DART-MS);, (PLS-DA);, AccuTOF, Arabidopsis, Direct, analysis, in, least, mass, partial, real-time, seed;, spectrometry, squares-discriminant, thaliana;},\n\tpages = {1--10},\n}\n\n\n\n
\n
\n\n\n
\n Background Efficient high throughput screening systems of useful mutants are prerequisite for study of plant functional genomics and lots of application fields. Advance in such screening tools, thanks to the development of analytic instruments. Direct analysis in real-time (DART)-mass spectrometry (MS) by ionization of complex materials at atmospheric pressure is a rapid, simple, high-resolution analytical technique. Here we describe a rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by DART-MS. Results To determine whether this DART-MS combined by multivariate analysis can perform genetic discrimination based on global metabolic profiling, intact Arabidopsis thaliana mutant seeds were subjected to DART-MS without any sample preparation. Partial least squares-discriminant analysis (PLS-DA) of DART-MS spectral data from intact seeds classified 14 different lines of seeds into two distinct groups: Columbia (Col-0) and Landsberg erecta (Ler) ecotype backgrounds. A hierarchical dendrogram based on partial least squares-discriminant analysis (PLS-DA) subdivided the Col-0 ecotype into two groups: mutant lines harboring defects in the phenylpropanoid biosynthetic pathway and mutants without these defects. These results indicated that metabolic profiling with DART-MS could discriminate intact Arabidopsis seeds at least ecotype level and metabolic pathway level within same ecotype. Conclusion The described DART-MS combined by multivariate analysis allows for rapid screening and metabolic characterization of lots of Arabidopsis mutant seeds without complex metabolic preparation steps. Moreover, potential novel metabolic markers can be detected and used to clarify the genetic relationship between Arabidopsis cultivars. Furthermore this technique can be applied to predict the novel gene function of metabolic mutants regardless of morphological phenotypes.\n
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\n \n\n \n \n \n \n \n \n Direct analysis of dithiocarbamate fungicides in fruit by ambient mass spectrometry.\n \n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Zomer, P.; Mol, H.; and Hajslova, J.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 28(10): 1372–1382. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cajka_direct_2011,\n\ttitle = {Direct analysis of dithiocarbamate fungicides in fruit by ambient mass spectrometry},\n\tvolume = {28},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2011.590456},\n\tdoi = {10.1080/19440049.2011.590456},\n\tabstract = {Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained. Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.},\n\tnumber = {10},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Cajka, Tomas and Riddellova, Katerina and Zomer, Paul and Mol, Hans and Hajslova, Jana},\n\tyear = {2011},\n\tpages = {1372--1382},\n}\n\n\n\n
\n
\n\n\n
\n Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained. Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.\n
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\n \n\n \n \n \n \n \n Study on rapid and direct analysis of illegally added six PDE5 inhibitors in health food by DART-MS/MS method.\n \n \n \n\n\n \n CHENG, X.; LI, W.; LI, W.; XIAO, X.; LIN, R.; and WEI, F.\n\n\n \n\n\n\n Chinese Journal of Pharmaceutical Analysis, 31: 438–442. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{cheng_study_2011,\n\ttitle = {Study on rapid and direct analysis of illegally added six {PDE5} inhibitors in health food by {DART}-{MS}/{MS} method},\n\tvolume = {31},\n\tdoi = {CNKI:SUN:YWFX.0.2011-03-005},\n\tabstract = {To develop a directed analysis of 6 phosphodiesterase 5(PDE5)inhibitors:sildenafil,tadalafil,acetildenafil,hydroxyhomosildenafil,aminotadalafil,pseudo-vardenfil in health food.Methods:Triple quadrupol MS with DART ion souce was used to perform the direct analysis.The DART sampler delivery rate was 0.2 mm·s-1.The temperature of carry gas of DART was 450 ℃.The capillary voltage was kept at 4 kV.The temperature of the drying gas of triple quadrupol MS was set at 350 ℃.The flow rate of the drying gas of triple quadrupol MS was set at 10 L·min-1,respectively.Product ion scan mode was used with scan range from 50-550 amu.The precursor ions were set as m/z 475.1(sildenafil),m/z 467.2(acetildenafil),m/z 505.1(hydroxyhomosildenafil),m/z 390.1(tadalafil),m/z 391.2(aminotadalafil),m/z 460.3(pseudo-vardenfil).The identification was performed by comparing the mass spectrum of detected peak in samples with the mass spectrum of peak in reference substance.Results:The limit of detection for each of 6 PDE5 inhibitors was under 1 μg·g-1.Sildenafil was detected in 6 samples,and tadalafil was detected in 1 sample.Conclusion:The method is employed to simultaneous detection of 6 PDE5 inhibitors in health food.},\n\tjournal = {Chinese Journal of Pharmaceutical Analysis},\n\tauthor = {CHENG, Xian-lon and LI, Wen-jie and LI, Wei-jian and XIAO, Xin-yue and LIN, Rui-chao and WEI, Feng},\n\tyear = {2011},\n\tpages = {438--442},\n}\n\n\n\n
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\n To develop a directed analysis of 6 phosphodiesterase 5(PDE5)inhibitors:sildenafil,tadalafil,acetildenafil,hydroxyhomosildenafil,aminotadalafil,pseudo-vardenfil in health food.Methods:Triple quadrupol MS with DART ion souce was used to perform the direct analysis.The DART sampler delivery rate was 0.2 mm·s-1.The temperature of carry gas of DART was 450 ℃.The capillary voltage was kept at 4 kV.The temperature of the drying gas of triple quadrupol MS was set at 350 ℃.The flow rate of the drying gas of triple quadrupol MS was set at 10 L·min-1,respectively.Product ion scan mode was used with scan range from 50-550 amu.The precursor ions were set as m/z 475.1(sildenafil),m/z 467.2(acetildenafil),m/z 505.1(hydroxyhomosildenafil),m/z 390.1(tadalafil),m/z 391.2(aminotadalafil),m/z 460.3(pseudo-vardenfil).The identification was performed by comparing the mass spectrum of detected peak in samples with the mass spectrum of peak in reference substance.Results:The limit of detection for each of 6 PDE5 inhibitors was under 1 μg·g-1.Sildenafil was detected in 6 samples,and tadalafil was detected in 1 sample.Conclusion:The method is employed to simultaneous detection of 6 PDE5 inhibitors in health food.\n
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\n \n\n \n \n \n \n \n \n Development and validation of AccuTOF-DARTâ„¢ as a screening method for analysis of bank security device and pepper spray components.\n \n \n \n \n\n\n \n Pfaff, A. M.; and Steiner, R. R.\n\n\n \n\n\n\n Forensic Science International, 206(1–3): 62–70. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DevelopmentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{pfaff_development_2011,\n\ttitle = {Development and validation of {AccuTOF}-{DARTâ}„¢ as a screening method for analysis of bank security device and pepper spray components},\n\tvolume = {206},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073810003154},\n\tdoi = {10.1016/j.forsciint.2010.06.018},\n\tabstract = {Analysis of bank security devices, containing 1-methylaminoanthraquinone (MAAQ) and o-chlorobenzylidenemalononitrile (CS), and pepper sprays, containing capsaicin, is a lengthy process with no specific screening technique to aid in identifying samples of interest. Direct Analysis in Real Time (DARTâ„¢) ionization coupled with an Accurate Time of Flight (AccuTOF) mass detector is a fast, ambient ionization source that could significantly reduce time spent on these cases and increase the specificity of the screening process. A new method for screening clothing for bank dye and pepper spray, using AccuTOF-DARTâ„¢ analysis, has been developed. Detection of MAAQ, CS, and capsaicin was achieved via extraction of each compound onto cardstock paper, which was then sampled in the AccuTOF-DARTâ„¢. All results were verified using gas chromatography coupled with electron impact mass spectrometry.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Pfaff, Allison M. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {Bank dye, Direct analysis in real time, Forensic science; Bank dye; Pepper spray; Direct Analysis in Real Time; Mass spectrometry; Time of flight; AccuTOF, Pepper spray, forensic science, mass spectrometry, time of flight},\n\tpages = {62--70},\n}\n\n\n\n
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\n\n\n
\n Analysis of bank security devices, containing 1-methylaminoanthraquinone (MAAQ) and o-chlorobenzylidenemalononitrile (CS), and pepper sprays, containing capsaicin, is a lengthy process with no specific screening technique to aid in identifying samples of interest. Direct Analysis in Real Time (DARTâ„¢) ionization coupled with an Accurate Time of Flight (AccuTOF) mass detector is a fast, ambient ionization source that could significantly reduce time spent on these cases and increase the specificity of the screening process. A new method for screening clothing for bank dye and pepper spray, using AccuTOF-DARTâ„¢ analysis, has been developed. Detection of MAAQ, CS, and capsaicin was achieved via extraction of each compound onto cardstock paper, which was then sampled in the AccuTOF-DARTâ„¢. All results were verified using gas chromatography coupled with electron impact mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Validation of Thin Layer Chromatography with AccuTOF-DARTâ„¢ Detection for Forensic Drug Analysis*.\n \n \n \n \n\n\n \n Howlett, S. E.; and Steiner, R. R.\n\n\n \n\n\n\n Journal of Forensic Sciences, 56(5): 1261–1267. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{howlett_validation_2011,\n\ttitle = {Validation of {Thin} {Layer} {Chromatography} with {AccuTOF}-{DARTâ}„¢ {Detection} for {Forensic} {Drug} {Analysis}*},\n\tvolume = {56},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2011.01881.x},\n\tdoi = {10.1111/j.1556-4029.2011.01881.x},\n\tabstract = {Abstract:  Thin layer chromatography (TLC) is a technique that is commonly employed in the forensic drug analysis of pharmaceutical preparations. Detection is typically accomplished using various visualization spray reagents. Conventional gas chromatography–mass spectrometry (GC-MS) analysis is typically performed to confirm the TLC results. Depending on the drugs tested and the instrument conditions required, this confirmation can take up to an hour to complete. Direct analysis in real time (DARTâ„¢) is an ionization source, coupled to an accurate-mass time-of-flight mass spectrometer that has the capability to ionize materials under ambient conditions. To streamline analysis, the combination of TLC with DARTâ„¢ detection is proposed to screen and subsequently identify drug compounds, all from the same TLC plate. DARTâ„¢ confirmations of TLC analyses take {\\textbackslash}textless10 min to complete and compare favorably to GC-MS in sensitivity and selectivity. This study validates the use of TLC-DART in the forensic identification of the components of several pharmaceutical preparations.},\n\tnumber = {5},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Howlett, Susanne E. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time, controlled substances, forensic science, forensic science; controlled substances; thin layer chromatography; direct analysis in real time; mass spectrometry; time of flight; AccuTOF, mass spectrometry, thin layer chromatography, time of flight},\n\tpages = {1261--1267},\n}\n\n\n\n
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\n Abstract:  Thin layer chromatography (TLC) is a technique that is commonly employed in the forensic drug analysis of pharmaceutical preparations. Detection is typically accomplished using various visualization spray reagents. Conventional gas chromatography–mass spectrometry (GC-MS) analysis is typically performed to confirm the TLC results. Depending on the drugs tested and the instrument conditions required, this confirmation can take up to an hour to complete. Direct analysis in real time (DART™) is an ionization source, coupled to an accurate-mass time-of-flight mass spectrometer that has the capability to ionize materials under ambient conditions. To streamline analysis, the combination of TLC with DART™ detection is proposed to screen and subsequently identify drug compounds, all from the same TLC plate. DART™ confirmations of TLC analyses take \\textless10 min to complete and compare favorably to GC-MS in sensitivity and selectivity. This study validates the use of TLC-DART in the forensic identification of the components of several pharmaceutical preparations.\n
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\n \n\n \n \n \n \n \n \n Current mass spectrometry strategies for the analysis of pesticides and their metabolites in food and water matrices.\n \n \n \n \n\n\n \n Botitsi, H. V.; Garbis, S. D.; Economou, A.; and Tsipi, D. F.\n\n\n \n\n\n\n Mass Spectrometry Reviews, 30(5): 907–939. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"CurrentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{botitsi_current_2011,\n\ttitle = {Current mass spectrometry strategies for the analysis of pesticides and their metabolites in food and water matrices},\n\tvolume = {30},\n\tissn = {1098-2787},\n\turl = {http://dx.doi.org/10.1002/mas.20307},\n\tdoi = {10.1002/mas.20307},\n\tabstract = {Analysis of pesticides and their metabolites in food and water matrices continues to be an active research area closely related to food safety and environmental issues. This review discusses the most widely applied mass spectrometric (MS) approaches to pesticide residues analysis over the last few years. The main techniques for sample preparation remain solvent extraction and solid-phase extraction. The QuEChERS (Quick, Easy, Cheap, Effective, Rugged, Safe) approach is being increasingly used for the development of multi-class pesticide residues methods in various sample matrices. MS detectors—triple quadrupole (QqQ), ion-trap (IT), quadrupole linear ion trap (QqLIT), time-of-flight (TOF), and quadrupole time-of-flight (QqTOF)—have been established as powerful analytical tools sharing a primary role in the detection/quantification and/or identification/confirmation of pesticides and their metabolites. Recent developments in analytical instrumentation have enabled coupling of ultra-performance liquid chromatography (UPLC) and fast gas chromatography (GC) with MS detectors, and faster analysis for a greater number of pesticides. The newly developed “ambient-ionization” MS techniques (e.g., desorption electrospray ionization, DESI, and direct analysis in real time, DART) hyphenated with high-resolution MS platforms without liquid chromatography separation, and sometimes with minimum pre-treatment, have shown potential for pesticide residue screening. The recently introduced Orbitrap mass spectrometers can provide high resolving power and mass accuracy, to tackle complex analytical problems involved in pesticide residue analysis. © 2010 Wiley Periodicals, Inc., Mass Spec Rev 30:907–939, 2011},\n\tnumber = {5},\n\tjournal = {Mass Spectrometry Reviews},\n\tauthor = {Botitsi, Helen V. and Garbis, Spiros D. and Economou, Anastasios and Tsipi, Despina F.},\n\tyear = {2011},\n\tkeywords = {food and water, liquid and gas chromatography, mass spectrometry, pesticides},\n\tpages = {907--939},\n}\n\n\n\n
\n
\n\n\n
\n Analysis of pesticides and their metabolites in food and water matrices continues to be an active research area closely related to food safety and environmental issues. This review discusses the most widely applied mass spectrometric (MS) approaches to pesticide residues analysis over the last few years. The main techniques for sample preparation remain solvent extraction and solid-phase extraction. The QuEChERS (Quick, Easy, Cheap, Effective, Rugged, Safe) approach is being increasingly used for the development of multi-class pesticide residues methods in various sample matrices. MS detectors—triple quadrupole (QqQ), ion-trap (IT), quadrupole linear ion trap (QqLIT), time-of-flight (TOF), and quadrupole time-of-flight (QqTOF)—have been established as powerful analytical tools sharing a primary role in the detection/quantification and/or identification/confirmation of pesticides and their metabolites. Recent developments in analytical instrumentation have enabled coupling of ultra-performance liquid chromatography (UPLC) and fast gas chromatography (GC) with MS detectors, and faster analysis for a greater number of pesticides. The newly developed “ambient-ionization” MS techniques (e.g., desorption electrospray ionization, DESI, and direct analysis in real time, DART) hyphenated with high-resolution MS platforms without liquid chromatography separation, and sometimes with minimum pre-treatment, have shown potential for pesticide residue screening. The recently introduced Orbitrap mass spectrometers can provide high resolving power and mass accuracy, to tackle complex analytical problems involved in pesticide residue analysis. © 2010 Wiley Periodicals, Inc., Mass Spec Rev 30:907–939, 2011\n
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\n \n\n \n \n \n \n \n \n Quantitative analysis of major dibenzocyclooctane lignans in schisandrae fructus by online TLC-DART-MS.\n \n \n \n \n\n\n \n Kim, H. J.; Oh, M. S.; Hong, J.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis, 22(3): 258–262. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_quantitative_2011,\n\ttitle = {Quantitative analysis of major dibenzocyclooctane lignans in schisandrae fructus by online {TLC}-{DART}-{MS}},\n\tvolume = {22},\n\tissn = {09580344},\n\turl = {http://doi.wiley.com/10.1002/pca.1273},\n\tdoi = {10.1002/pca.1273},\n\tabstract = {Introduction – Direct analysis in real time (DART) ion source is a powerful ionising technique for the quick and easy detection of various organic molecules without any sample preparation steps, but the lack of quantitation capacity limits its extensive use in the field of phytochemical analysis. Objective – To improvise a new system which utilize DART-MS as a hyphenated detector for quantitation. Methodology – A total extract of Schisandra chinensis fruit was analyzed on a TLC plate and three major lignan compounds were quantitated by three different methods of UV densitometry, TLC-DART-MS and HPLC-UV to compare the efficiency of each method. To introduce the TLC plate into the DART ion source at a constant velocity, a syringe pump was employed. The DART-MS total ion current chromatogram was recorded for the entire TLC plate. The concentration of each lignan compound was calculated from the calibration curve established with standard compound. Results – Gomisin A, gomisin N and schisandrin were well separated on a silica-coated TLC plate and the specific ion current chromatograms were successfully acquired from the TLC-DART-MS system. The TLC-DART-MS system for the quantitation of natural products showed better linearity and specificity than TLC densitometry, and consumed less time and solvent than conventional HPLC method. Conclusion – A hyphenated system for the quantitation of phytochemicals from crude herbal drugs was successfully established. This system was shown to have a powerful analytical capacity for the prompt and efficient quantitation of natural products from crude drugs.},\n\tnumber = {3},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Oh, Myung Sook and Hong, Jongki and Jang, Young Pyo},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {258--262},\n}\n\n\n\n
\n
\n\n\n
\n Introduction – Direct analysis in real time (DART) ion source is a powerful ionising technique for the quick and easy detection of various organic molecules without any sample preparation steps, but the lack of quantitation capacity limits its extensive use in the field of phytochemical analysis. Objective – To improvise a new system which utilize DART-MS as a hyphenated detector for quantitation. Methodology – A total extract of Schisandra chinensis fruit was analyzed on a TLC plate and three major lignan compounds were quantitated by three different methods of UV densitometry, TLC-DART-MS and HPLC-UV to compare the efficiency of each method. To introduce the TLC plate into the DART ion source at a constant velocity, a syringe pump was employed. The DART-MS total ion current chromatogram was recorded for the entire TLC plate. The concentration of each lignan compound was calculated from the calibration curve established with standard compound. Results – Gomisin A, gomisin N and schisandrin were well separated on a silica-coated TLC plate and the specific ion current chromatograms were successfully acquired from the TLC-DART-MS system. The TLC-DART-MS system for the quantitation of natural products showed better linearity and specificity than TLC densitometry, and consumed less time and solvent than conventional HPLC method. Conclusion – A hyphenated system for the quantitation of phytochemicals from crude herbal drugs was successfully established. This system was shown to have a powerful analytical capacity for the prompt and efficient quantitation of natural products from crude drugs.\n
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\n \n\n \n \n \n \n \n \n Crushing Garlic and Slicing Onions: Detection of Sulfenic Acids and Other Reactive Organosulfur Intermediates from Garlic and Other Alliums using Direct Analysis in Real-Time Mass Spectrometry (DART-MS).\n \n \n \n \n\n\n \n Block, E.; Dane, A.; and Cody, R.\n\n\n \n\n\n\n Phosphorus, Sulfur, and Silicon and the Related Elements, 186(5): 1085–1093. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"CrushingPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{block_crushing_2011,\n\ttitle = {Crushing {Garlic} and {Slicing} {Onions}: {Detection} of {Sulfenic} {Acids} and {Other} {Reactive} {Organosulfur} {Intermediates} from {Garlic} and {Other} {Alliums} using {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry} ({DART}-{MS})},\n\tvolume = {186},\n\turl = {internal-pdf://Phos_Sulf_Silicon_2011_186_1085–1093-1391021855/Phos_Sulf_Silicon_2011_186_1085–1093.pdf},\n\tabstract = {Direct analysis in real-time mass spectrometry (DART-MS) under both positive-ion (PI) and negative-ion (NI) high-resolution (HR) conditions has been used to identify reactive sulfur-containing compounds formed from cutting seven different genus Allium species, garlic, onion, elephant garlic, leek, Chinese chives, and the ornamental species, Allium siculum and A. stipitatum. From cut garlic, PI-DART-MS shows allicin, allyl/methyl and dimethyl thiosulfinates, diallyl trisulfane S-oxide, allyl alcohol, and propene, whereas NI-DART-MS shows 2-propenesulfenic acid, 2-propenesulfinic acid, SO2, and pyruvate. From cut onion, PI-DART-MS shows mainly the lachrymatory factor (LF), along with much lower amounts of thiosulfinates, zwiebelanes, and a bis-sulfine. From cut elephant garlic, both allicin and LF are found, along with thiosulfinates and bis-sulfine. From cut leek, using PI-DART-MS, mixed methyl-1-propenyl-n-propyl thiosulfinates are found, whereas cut Chinese chive shows predominantly methyl with lesser amounts of mixed allyl/methyl thiosufinates. From cut A. siculum, PI-DART-MS shows butanethial S-oxide along with lesser amounts of mixed 1-butenyl/n-butyl/methyl thiosulfinates, while from cut A. stipitatum, N-hydroxy-2-pyridinethione (pyrithone) is seen. PI-DART-MS analysis of all six cut Allium species showed that disulfanes and polysulfanes were absent, which is consistent with these compounds being artifacts from handling and analysis.},\n\tnumber = {5},\n\tjournal = {Phosphorus, Sulfur, and Silicon and the Related Elements},\n\tauthor = {Block, E. and Dane, A.J. and Cody, R.B.},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {1085--1093},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real-time mass spectrometry (DART-MS) under both positive-ion (PI) and negative-ion (NI) high-resolution (HR) conditions has been used to identify reactive sulfur-containing compounds formed from cutting seven different genus Allium species, garlic, onion, elephant garlic, leek, Chinese chives, and the ornamental species, Allium siculum and A. stipitatum. From cut garlic, PI-DART-MS shows allicin, allyl/methyl and dimethyl thiosulfinates, diallyl trisulfane S-oxide, allyl alcohol, and propene, whereas NI-DART-MS shows 2-propenesulfenic acid, 2-propenesulfinic acid, SO2, and pyruvate. From cut onion, PI-DART-MS shows mainly the lachrymatory factor (LF), along with much lower amounts of thiosulfinates, zwiebelanes, and a bis-sulfine. From cut elephant garlic, both allicin and LF are found, along with thiosulfinates and bis-sulfine. From cut leek, using PI-DART-MS, mixed methyl-1-propenyl-n-propyl thiosulfinates are found, whereas cut Chinese chive shows predominantly methyl with lesser amounts of mixed allyl/methyl thiosufinates. From cut A. siculum, PI-DART-MS shows butanethial S-oxide along with lesser amounts of mixed 1-butenyl/n-butyl/methyl thiosulfinates, while from cut A. stipitatum, N-hydroxy-2-pyridinethione (pyrithone) is seen. PI-DART-MS analysis of all six cut Allium species showed that disulfanes and polysulfanes were absent, which is consistent with these compounds being artifacts from handling and analysis.\n
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\n \n\n \n \n \n \n \n \n Ambient desorption ionization mass spectrometry (DART, DESI) and its bioanalytical applications.\n \n \n \n \n\n\n \n Morlock, G.\n\n\n \n\n\n\n Bioanalytical Reviews, 3(1): 1–9. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{morlock_ambient_2011,\n\ttitle = {Ambient desorption ionization mass spectrometry ({DART}, {DESI}) and its bioanalytical applications},\n\tvolume = {3},\n\tissn = {1867-2086},\n\turl = {http://dx.doi.org/10.1007/s12566-010-0019-5},\n\tdoi = {10.1007/s12566-010-0019-5},\n\tabstract = {In recent years, ambient desorption ionization techniques for mass spectrometry were introduced. Among them, the most established techniques are Direct Analysis in Real Time (DART) and Desorption Electrospray Ionization (DESI). Therefore, the current review focuses on the bioanalytical applications of ambient desorption ionization techniques by the example of DART and DESI mass spectrometry. The potential and also limitations of both ambient mass spectrometry (MS) techniques in such areas, as identification and quantitation of small molecules, coupling DART-MS and DESI-MS with planar chromatography, protein/peptide analysis, as well as molecular imaging applications, are discussed.},\n\tnumber = {1},\n\tjournal = {Bioanalytical Reviews},\n\tauthor = {Morlock, Gertrud},\n\tyear = {2011},\n\tkeywords = {Ambient mass spectrometry, Bioanalytical methods, Chemistry and Materials Science, Desorption electrospray ionization – DESI, Direct analysis in real time – DART, identification, quantitation},\n\tpages = {1--9},\n}\n\n\n\n
\n
\n\n\n
\n In recent years, ambient desorption ionization techniques for mass spectrometry were introduced. Among them, the most established techniques are Direct Analysis in Real Time (DART) and Desorption Electrospray Ionization (DESI). Therefore, the current review focuses on the bioanalytical applications of ambient desorption ionization techniques by the example of DART and DESI mass spectrometry. The potential and also limitations of both ambient mass spectrometry (MS) techniques in such areas, as identification and quantitation of small molecules, coupling DART-MS and DESI-MS with planar chromatography, protein/peptide analysis, as well as molecular imaging applications, are discussed.\n
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\n \n\n \n \n \n \n \n \n Authentication of Animal Fats Using Direct Analysis in Real Time (DART) Ionization−Mass Spectrometry and Chemometric Tools.\n \n \n \n \n\n\n \n Vaclavik, L.; Hrbek, V.; Cajka, T.; Rohlik, B.; Pipek, P.; and Hajslova, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(11): 5919–5926. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AuthenticationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{vaclavik_authentication_2011,\n\ttitle = {Authentication of {Animal} {Fats} {Using} {Direct} {Analysis} in {Real} {Time} ({DART}) {Ionizationâˆ}’{Mass} {Spectrometry} and {Chemometric} {Tools}},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf200734x},\n\tdoi = {10.1021/jf200734x},\n\tabstract = {A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10\\% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10\\% pork added to beef and vice versa was possible. A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10\\% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10\\% pork added to beef and vice versa was possible.},\n\tnumber = {11},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Vaclavik, Lukas and Hrbek, Vojtech and Cajka, Tomas and Rohlik, Bo-Anne and Pipek, Petr and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Direct, adulteration;, analysis, analysis;, animal, fat;, in, mass, meat;, multivariate, real, spectrometry;, time;},\n\tpages = {5919--5926},\n}\n\n\n\n
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\n A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10% pork added to beef and vice versa was possible. A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10% pork added to beef and vice versa was possible.\n
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\n \n\n \n \n \n \n \n \n Fast identification of phthalic acid esters in poly(vinyl chloride) samples by Direct Analysis In Real Time (DART) tandem mass spectrometry.\n \n \n \n \n\n\n \n Kuki, Ã.; Nagy, L.; Zsuga, M.; and Kéki, S.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 303(2–3): 225–228. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"FastPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kuki_fast_2011,\n\ttitle = {Fast identification of phthalic acid esters in poly(vinyl chloride) samples by {Direct} {Analysis} {In} {Real} {Time} ({DART}) tandem mass spectrometry},\n\tvolume = {303},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380611000698},\n\tdoi = {10.1016/j.ijms.2011.02.011},\n\tabstract = {It was found that the collision energy/voltage necessary to obtain 50\\% fragmentation (CV50) was linearly dependent on the molecular weight of phthalic acid esters (PAEs). Based on this observation a fast screening technique for the detection of PAEs in poly vinyl chloride (PVC) samples was developed using Direct Analysis in Real Time (DART) ionization tandem mass spectrometry. Based on this observation an automated data acquisition method, including mass-dependent tuning of the collision energy/voltage in DART-MS/MS, was developed thereby reducing the analysis time.},\n\tnumber = {2–3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Kuki, Ákos and Nagy, Lajos and Zsuga, Miklós and Kéki, Sándor},\n\tyear = {2011},\n\tkeywords = {Direct Analysis in Real Time ionization (DART), Phthalic acid ester, Poly(vinyl chloride), Tandem mass spectrometry (MS/MS)},\n\tpages = {225--228},\n}\n\n\n\n
\n
\n\n\n
\n It was found that the collision energy/voltage necessary to obtain 50% fragmentation (CV50) was linearly dependent on the molecular weight of phthalic acid esters (PAEs). Based on this observation a fast screening technique for the detection of PAEs in poly vinyl chloride (PVC) samples was developed using Direct Analysis in Real Time (DART) ionization tandem mass spectrometry. Based on this observation an automated data acquisition method, including mass-dependent tuning of the collision energy/voltage in DART-MS/MS, was developed thereby reducing the analysis time.\n
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\n \n\n \n \n \n \n \n \n Danshen extract does not alter pharmacokinetics of docetaxel and clopidogrel, reflecting its negligible potential in P-glycoprotein- and cytochrome P4503A-mediated herb–drug interactions.\n \n \n \n \n\n\n \n Lee, J. H.; Shin, Y.; Kim, H. J.; Oh, J.; Jang, Y. P.; and Lee, Y.\n\n\n \n\n\n\n International Journal of Pharmaceutics, 410(1-2): 68–74. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DanshenPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{lee_danshen_2011,\n\ttitle = {Danshen extract does not alter pharmacokinetics of docetaxel and clopidogrel, reflecting its negligible potential in {P}-glycoprotein- and cytochrome {P4503A}-mediated herb–drug interactions},\n\tvolume = {410},\n\turl = {http://dx.doi.org/10.1016/j.ijpharm.2011.03.031},\n\tabstract = {Danshen (Salvia miltiorrhiza) contains tanshinones, which inhibit P-glycoprotein (P-gp) and the cytochrome P450 (CYP) system. In the present study, we evaluated the possible pharmacokinetic interactions of Danshen extract with docetaxel and clopidogrel in rats. Docetaxel (5 mg/kg intravenously and 40 mg/kg orally) or clopidogrel (30 mg/kg orally) was administered to rats with or without oral co-administration of Danshen (400 mg/kg). Co-administration of Danshen did not affect the plasma concentration profiles and pharmacokinetic parameters of docetaxel and clopidogrel, whereas cyclosporine A, a P-gp and CYP3A inhibitor, significantly influenced the pharmacokinetics of co-administered docetaxel and clopidogrel. Orally administered Danshen had no substantial effect on the pharmacokinetics of docetaxel and clopidogrel, suggesting the negligible safety concern of Danshen in P-gp- and CYP3A-mediated interactions in vivo.},\n\tnumber = {1-2},\n\tjournal = {International Journal of Pharmaceutics},\n\tauthor = {Lee, Joo Hyun and Shin, Yong-Jun and Kim, Hye Jin and Oh, Ju-Hee and Jang, Young Pyo and Lee, Young-Joo},\n\tyear = {2011},\n\tkeywords = {3A;, AccuTOF, Clopidogrel;, Cytochrome, Danshen;, Docetaxel;, P-glycoprotein;, P450, Pharmacokinetic, interaction;},\n\tpages = {68--74},\n}\n\n\n\n
\n
\n\n\n
\n Danshen (Salvia miltiorrhiza) contains tanshinones, which inhibit P-glycoprotein (P-gp) and the cytochrome P450 (CYP) system. In the present study, we evaluated the possible pharmacokinetic interactions of Danshen extract with docetaxel and clopidogrel in rats. Docetaxel (5 mg/kg intravenously and 40 mg/kg orally) or clopidogrel (30 mg/kg orally) was administered to rats with or without oral co-administration of Danshen (400 mg/kg). Co-administration of Danshen did not affect the plasma concentration profiles and pharmacokinetic parameters of docetaxel and clopidogrel, whereas cyclosporine A, a P-gp and CYP3A inhibitor, significantly influenced the pharmacokinetics of co-administered docetaxel and clopidogrel. Orally administered Danshen had no substantial effect on the pharmacokinetics of docetaxel and clopidogrel, suggesting the negligible safety concern of Danshen in P-gp- and CYP3A-mediated interactions in vivo.\n
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\n \n\n \n \n \n \n \n \n Principal component directed partial least squares analysis for combining nuclear magnetic resonance and mass spectrometry data in metabolomics: Application to the detection of breast cancer.\n \n \n \n \n\n\n \n Gu, H.; Pan, Z.; Xi, B.; Asiago, V.; Musselman, B.; and Raftery, D.\n\n\n \n\n\n\n Analytica Chimica Acta, 686(1–2): 57–63. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PrincipalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{gu_principal_2011,\n\ttitle = {Principal component directed partial least squares analysis for combining nuclear magnetic resonance and mass spectrometry data in metabolomics: {Application} to the detection of breast cancer},\n\tvolume = {686},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267010014558},\n\tdoi = {10.1016/j.aca.2010.11.040},\n\tabstract = {Nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) are the two most commonly used analytical tools in metabolomics, and their complementary nature makes the combination particularly attractive. A combined analytical approach can improve the potential for providing reliable methods to detect metabolic profile alterations in biofluids or tissues caused by disease, toxicity, etc. In this paper, 1H NMR spectroscopy and direct analysis in real time (DART)-MS were used for the metabolomics analysis of serum samples from breast cancer patients and healthy controls. Principal component analysis (PCA) of the NMR data showed that the first principal component (PC1) scores could be used to separate cancer from normal samples. However, no such obvious clustering could be observed in the PCA score plot of DART-MS data, even though DART-MS can provide a rich and informative metabolic profile. Using a modified multivariate statistical approach, the DART-MS data were then reevaluated by orthogonal signal correction (OSC) pretreated partial least squares (PLS), in which the Y matrix in the regression was set to the PC1 score values from the NMR data analysis. This approach, and a similar one using the first latent variable from PLS-DA of the NMR data resulted in a significant improvement of the separation between the disease samples and normals, and a metabolic profile related to breast cancer could be extracted from DART-MS. The new approach allows the disease classification to be expressed on a continuum as opposed to a binary scale and thus better represents the disease and healthy classifications. An improved metabolic profile obtained by combining MS and NMR by this approach may be useful to achieve more accurate disease detection and gain more insight regarding disease mechanisms and biology.},\n\tnumber = {1–2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Gu, Haiwei and Pan, Zhengzheng and Xi, Bowei and Asiago, Vincent and Musselman, Brian and Raftery, Daniel},\n\tyear = {2011},\n\tkeywords = {Breast cancer, Direct analysis in real time, Human serum, Nuclear magnetic resonance, Orthogonal signal correction, Partial least squares, mass spectrometry, metabolomics},\n\tpages = {57--63},\n}\n\n\n\n
\n
\n\n\n
\n Nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) are the two most commonly used analytical tools in metabolomics, and their complementary nature makes the combination particularly attractive. A combined analytical approach can improve the potential for providing reliable methods to detect metabolic profile alterations in biofluids or tissues caused by disease, toxicity, etc. In this paper, 1H NMR spectroscopy and direct analysis in real time (DART)-MS were used for the metabolomics analysis of serum samples from breast cancer patients and healthy controls. Principal component analysis (PCA) of the NMR data showed that the first principal component (PC1) scores could be used to separate cancer from normal samples. However, no such obvious clustering could be observed in the PCA score plot of DART-MS data, even though DART-MS can provide a rich and informative metabolic profile. Using a modified multivariate statistical approach, the DART-MS data were then reevaluated by orthogonal signal correction (OSC) pretreated partial least squares (PLS), in which the Y matrix in the regression was set to the PC1 score values from the NMR data analysis. This approach, and a similar one using the first latent variable from PLS-DA of the NMR data resulted in a significant improvement of the separation between the disease samples and normals, and a metabolic profile related to breast cancer could be extracted from DART-MS. The new approach allows the disease classification to be expressed on a continuum as opposed to a binary scale and thus better represents the disease and healthy classifications. An improved metabolic profile obtained by combining MS and NMR by this approach may be useful to achieve more accurate disease detection and gain more insight regarding disease mechanisms and biology.\n
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\n \n\n \n \n \n \n \n \n Rapid identification and absence of drug tests for AG-013736 in 1 mg Axitinib tablets by ion mobility spectrometry and DARTâ„¢ mass spectrometry.\n \n \n \n \n\n\n \n Likar, M. D.; Cheng, G.; Mahajan, N.; and Zhang, Z.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 55(3): 569–573. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{likar_rapid_2011,\n\ttitle = {Rapid identification and absence of drug tests for {AG}-013736 in 1 mg {Axitinib} tablets by ion mobility spectrometry and {DARTâ}„¢ mass spectrometry},\n\tvolume = {55},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708511001099},\n\tdoi = {10.1016/j.jpba.2011.02.021},\n\tabstract = {Axitinib (AG-013736) is a potent investigational drug that has antitumor activity in patients with metastatic renal cell carcinoma and other types of cancers. In this study, ion mobility spectrometry and “direct analysis in real time” (DARTâ„¢) mass spectrometry were used to rapidly identify AG-013736 in drug substance samples and 1\\&\\#xa0;mg Axitinib tablets. The plasmagrams of the sample solutions exhibited a major peak with a reduced ion mobility that was within ±0.0002\\&\\#xa0;cm2\\&\\#xa0;V−1\\&\\#xa0;s−1 of that for AG-013736 in an external reference standard solution. The DART ionization source was coupled with both a time-of-flight mass spectrometer and a lower-resolution ion trap mass spectrometer. Samples were analyzed by this technique in as little as 5\\&\\#xa0;s with minimal to no sample preparation required. The isotopic masses of the protonated dimer ions of AG-013736 were used to identify AG-013736 in the active tablet. Both techniques were also used to develop low-level limit tests for rapidly verifying the presence or absence of AG-013736 in blinded clinical supplies of active and matching placebo tablets of Axitinib.},\n\tnumber = {3},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Likar, Michael D. and Cheng, Guilong and Mahajan, Nidhi and Zhang, Zhongli},\n\tyear = {2011},\n\tkeywords = {Axitinib, Direct analysis in real time, Ion mobility spectrometry, Ion mobility spectrometry; Direct analysis in real time; Mass spectrometry; Axitinib; AccuTOF, mass spectrometry},\n\tpages = {569--573},\n}\n\n\n\n
\n
\n\n\n
\n Axitinib (AG-013736) is a potent investigational drug that has antitumor activity in patients with metastatic renal cell carcinoma and other types of cancers. In this study, ion mobility spectrometry and “direct analysis in real time” (DARTâ„¢) mass spectrometry were used to rapidly identify AG-013736 in drug substance samples and 1 mg Axitinib tablets. The plasmagrams of the sample solutions exhibited a major peak with a reduced ion mobility that was within ±0.0002 cm2 V−1 s−1 of that for AG-013736 in an external reference standard solution. The DART ionization source was coupled with both a time-of-flight mass spectrometer and a lower-resolution ion trap mass spectrometer. Samples were analyzed by this technique in as little as 5 s with minimal to no sample preparation required. The isotopic masses of the protonated dimer ions of AG-013736 were used to identify AG-013736 in the active tablet. Both techniques were also used to develop low-level limit tests for rapidly verifying the presence or absence of AG-013736 in blinded clinical supplies of active and matching placebo tablets of Axitinib.\n
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\n \n\n \n \n \n \n \n Ambient ionization mass spectrometry: A tutorial.\n \n \n \n\n\n \n Huang, M.; Cheng, S.; Cho, Y.; and Shiea, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 702(1): 1–15. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{huang_ambient_2011,\n\ttitle = {Ambient ionization mass spectrometry: {A} tutorial},\n\tvolume = {702},\n\tabstract = {Ambient ionization is a set of mass spectrometric ionization techniques performed under ambient conditions that allows the direct analysis of sample surfaces with little or no sample pretreatment. Using combinations of different types of sample introduction systems and ionization methods, several novel techniques have been developed over the last few years with many applications (e.g., food safety screening; detection of pharmaceuticals and drug abuse; monitoring of environmental pollutants; detection of explosives for antiterrorism and forensics; characterization of biological compounds for proteomics and metabolomics; molecular imaging analysis; and monitoring chemical and biochemical reactions). Electrospray ionization and atmospheric pressure chemical ionization are the two main ionization principles most commonly used in ambient ionization mass spectrometry. This tutorial paper provides a review of the publications related to ambient ionization techniques. We describe and compare the underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques.},\n\tnumber = {1},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Huang, Min-Zong and Cheng, Sy-Chi and Cho, Yi-Tzu and Shiea, Jentaie},\n\tyear = {2011},\n\tkeywords = {Ambient;, Atmospheric, Desorption/ionization;, Electrospray, Ionization, Two-step, chemical, ionization;, pressure, review;},\n\tpages = {1--15},\n}\n\n\n\n
\n
\n\n\n
\n Ambient ionization is a set of mass spectrometric ionization techniques performed under ambient conditions that allows the direct analysis of sample surfaces with little or no sample pretreatment. Using combinations of different types of sample introduction systems and ionization methods, several novel techniques have been developed over the last few years with many applications (e.g., food safety screening; detection of pharmaceuticals and drug abuse; monitoring of environmental pollutants; detection of explosives for antiterrorism and forensics; characterization of biological compounds for proteomics and metabolomics; molecular imaging analysis; and monitoring chemical and biochemical reactions). Electrospray ionization and atmospheric pressure chemical ionization are the two main ionization principles most commonly used in ambient ionization mass spectrometry. This tutorial paper provides a review of the publications related to ambient ionization techniques. We describe and compare the underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques.\n
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\n \n\n \n \n \n \n \n \n A rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by direct analysis in real-time mass spectrometry.\n \n \n \n \n\n\n \n Kim, S. W.; Kim, H. J.; Kim, J. H.; Kwon, Y. K.; Ahn, M. S.; Jang, Y. P.; and Liu, J. R\n\n\n \n\n\n\n Plant Methods, 7(1): 1–10. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_rapid_2011,\n\ttitle = {A rapid, simple method for the genetic discrimination of intact {Arabidopsis} thaliana mutant seeds using metabolic profiling by direct analysis in real-time mass spectrometry},\n\tvolume = {7},\n\tissn = {1746-4811},\n\turl = {http://www.plantmethods.com/content/7/1/14},\n\tdoi = {10.1186/1746-4811-7-14},\n\tabstract = {Background  \nEfficient high throughput screening systems of useful mutants are prerequisite for study of plant functional genomics and lots of application fields. Advance in such screening tools, thanks to the development of analytic instruments. Direct analysis in real-time (DART)-mass spectrometry (MS) by ionization of complex materials at atmospheric pressure is a rapid, simple, high-resolution analytical technique. Here we describe a rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by DART-MS.\n\nResults  \nTo determine whether this DART-MS combined by multivariate analysis can perform genetic discrimination based on global metabolic profiling, intact Arabidopsis thaliana mutant seeds were subjected to DART-MS without any sample preparation. Partial least squares-discriminant analysis (PLS-DA) of DART-MS spectral data from intact seeds classified 14 different lines of seeds into two distinct groups: Columbia (Col-0) and Landsberg erecta (Ler) ecotype backgrounds. A hierarchical dendrogram based on partial least squares-discriminant analysis (PLS-DA) subdivided the Col-0 ecotype into two groups: mutant lines harboring defects in the phenylpropanoid biosynthetic pathway and mutants without these defects. These results indicated that metabolic profiling with DART-MS could discriminate intact Arabidopsis seeds at least ecotype level and metabolic pathway level within same ecotype.\n\nConclusion  \nThe described DART-MS combined by multivariate analysis allows for rapid screening and metabolic characterization of lots of Arabidopsis mutant seeds without complex metabolic preparation steps. Moreover, potential novel metabolic markers can be detected and used to clarify the genetic relationship between Arabidopsis cultivars. Furthermore this technique can be applied to predict the novel gene function of metabolic mutants regardless of morphological phenotypes.},\n\tnumber = {1},\n\tjournal = {Plant Methods},\n\tauthor = {Kim, Suk Weon and Kim, Hye Jin and Kim, Jong Hyun and Kwon, Yong Kook and Ahn, Myung Suk and Jang, Young Pyo and Liu, Jang R},\n\tyear = {2011},\n\tkeywords = {Arabidopsis thaliana; Direct analysis in real-time mass spectrometry (DART-MS); partial least squares-discriminant analysis (PLS-DA); seed; AccuTOF},\n\tpages = {1--10},\n}\n\n\n\n
\n
\n\n\n
\n Background Efficient high throughput screening systems of useful mutants are prerequisite for study of plant functional genomics and lots of application fields. Advance in such screening tools, thanks to the development of analytic instruments. Direct analysis in real-time (DART)-mass spectrometry (MS) by ionization of complex materials at atmospheric pressure is a rapid, simple, high-resolution analytical technique. Here we describe a rapid, simple method for the genetic discrimination of intact Arabidopsis thaliana mutant seeds using metabolic profiling by DART-MS. Results To determine whether this DART-MS combined by multivariate analysis can perform genetic discrimination based on global metabolic profiling, intact Arabidopsis thaliana mutant seeds were subjected to DART-MS without any sample preparation. Partial least squares-discriminant analysis (PLS-DA) of DART-MS spectral data from intact seeds classified 14 different lines of seeds into two distinct groups: Columbia (Col-0) and Landsberg erecta (Ler) ecotype backgrounds. A hierarchical dendrogram based on partial least squares-discriminant analysis (PLS-DA) subdivided the Col-0 ecotype into two groups: mutant lines harboring defects in the phenylpropanoid biosynthetic pathway and mutants without these defects. These results indicated that metabolic profiling with DART-MS could discriminate intact Arabidopsis seeds at least ecotype level and metabolic pathway level within same ecotype. Conclusion The described DART-MS combined by multivariate analysis allows for rapid screening and metabolic characterization of lots of Arabidopsis mutant seeds without complex metabolic preparation steps. Moreover, potential novel metabolic markers can be detected and used to clarify the genetic relationship between Arabidopsis cultivars. Furthermore this technique can be applied to predict the novel gene function of metabolic mutants regardless of morphological phenotypes.\n
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\n \n\n \n \n \n \n \n \n Analysis of printing and writing papers by using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Adams, J.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 301(1–3): 109–126. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{adams_analysis_2011,\n\ttitle = {Analysis of printing and writing papers by using direct analysis in real time mass spectrometry},\n\tvolume = {301},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380610002617},\n\tdoi = {10.1016/j.ijms.2010.07.025},\n\tabstract = {A quick and direct method for identifying organic components of papers in library and archival collections with minimal destructive sampling is needed for preservation, forensic, and general purposes. Direct analysis in real time mass spectrometry (DART-MS) is used for characterizing 16 reference papers of known manufacture in terms of their pulp composition and pitch contaminants. Unique mass spectra are obtained from bleached kraft, chemithermomechanical, and stone groundwood pulp papers in real time without extractions, derivatizations, chromatographic separations, and other time- and chemical-consuming sample preparations. Phytosteroids are volatilized from bleached hardwood kraft but not from bleached softwood kraft papers, which differentiates the two of them. The kraft papers are in turn differentiated from chemithermomechanical pulp papers by lignin-derived thermolyis products: syringyl products arise from hardwood, but guaiacyl and coumaryl products arise from softwood, chemithermomechanical pulp papers. Stone groundwood papers contain a number of extractives that are volatilized, which serve to differentiate them from all the other papers. Papers that contain rosin vs. alkyl ketene dimer (AKD) sizings are immediately differentiated. The DART-MS methodology is fast and simple, and the spectra are repeatable. Microsamples as small as ∼10\\&\\#xa0;μg tweezed from the paper surface may be analyzed. These benchmark spectra are the prelude to further applications of DART-MS in paper research and the beginning of the development of a searchable library of DART-MS spectra of printing and writing papers by the Library of Congress.},\n\tnumber = {1–3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Adams, Jeanette},\n\tyear = {2011},\n\tkeywords = {AccuTOF, DART, Direct analysis in real time, Extractives, Lignin, Paper, Pulp},\n\tpages = {109--126},\n}\n\n\n\n
\n
\n\n\n
\n A quick and direct method for identifying organic components of papers in library and archival collections with minimal destructive sampling is needed for preservation, forensic, and general purposes. Direct analysis in real time mass spectrometry (DART-MS) is used for characterizing 16 reference papers of known manufacture in terms of their pulp composition and pitch contaminants. Unique mass spectra are obtained from bleached kraft, chemithermomechanical, and stone groundwood pulp papers in real time without extractions, derivatizations, chromatographic separations, and other time- and chemical-consuming sample preparations. Phytosteroids are volatilized from bleached hardwood kraft but not from bleached softwood kraft papers, which differentiates the two of them. The kraft papers are in turn differentiated from chemithermomechanical pulp papers by lignin-derived thermolyis products: syringyl products arise from hardwood, but guaiacyl and coumaryl products arise from softwood, chemithermomechanical pulp papers. Stone groundwood papers contain a number of extractives that are volatilized, which serve to differentiate them from all the other papers. Papers that contain rosin vs. alkyl ketene dimer (AKD) sizings are immediately differentiated. The DART-MS methodology is fast and simple, and the spectra are repeatable. Microsamples as small as ∼10 μg tweezed from the paper surface may be analyzed. These benchmark spectra are the prelude to further applications of DART-MS in paper research and the beginning of the development of a searchable library of DART-MS spectra of printing and writing papers by the Library of Congress.\n
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\n \n\n \n \n \n \n \n \n Authentication of Animal Fats Using Direct Analysis in Real Time (DART) Ionization−Mass Spectrometry and Chemometric Tools.\n \n \n \n \n\n\n \n Vaclavik, L.; Hrbek, V.; Cajka, T.; Rohlik, B.; Pipek, P.; and Hajslova, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(11): 5919–5926. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AuthenticationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_authentication_2011,\n\ttitle = {Authentication of {Animal} {Fats} {Using} {Direct} {Analysis} in {Real} {Time} ({DART}) {Ionization}−{Mass} {Spectrometry} and {Chemometric} {Tools}},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf200734x},\n\tdoi = {10.1021/jf200734x},\n\tabstract = {A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10\\% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10\\% pork added to beef and vice versa was possible.\nA combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10\\% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10\\% pork added to beef and vice versa was possible.},\n\tnumber = {11},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Vaclavik, Lukas and Hrbek, Vojtech and Cajka, Tomas and Rohlik, Bo-Anne and Pipek, Petr and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {animal fat; meat; adulteration; direct analysis in real time; mass spectrometry; multivariate analysis; AccuTOF},\n\tpages = {5919--5926},\n}\n\n\n\n
\n
\n\n\n
\n A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10% pork added to beef and vice versa was possible. A combination of direct analysis in real time (DART) ionization coupled to time-of-flight mass spectrometry (TOFMS) and chemometrics was used for animal fat (lard and beef tallow) authentication. This novel instrumentation was employed for rapid profiling of triacylglycerols (TAGs) and polar compounds present in fat samples and their mixtures. Additionally, fat isolated from pork, beef, and pork/beef admixtures was analyzed. Mass spectral records were processed by principal component analysis (PCA) and stepwise linear discriminant analysis (LDA). DART-TOFMS profiles of TAGs were found to be more suitable for the purpose of discrimination among the examined fat types as compared to profiles of polar compounds. The LDA model developed using TAG data enabled not only reliable classification of samples representing neat fats but also detection of admixed lard and tallow at adulteration levels of 5 and 10% (w/w), respectively. The presented approach was also successfully applied to minced meat prepared from pork and beef with comparable fat content. Using the DART-TOFMS TAG profiles of fat isolated from meat mixtures, detection of 10% pork added to beef and vice versa was possible.\n
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\n \n\n \n \n \n \n \n \n Challenging applications offered by direct analysis in real time (DART) in food-quality and safety analysis.\n \n \n \n \n\n\n \n Hajslova, J.; Cajka, T.; and Vaclavik, L.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry, 30(2): 204–218. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ChallengingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{hajslova_challenging_2011,\n\ttitle = {Challenging applications offered by direct analysis in real time ({DART}) in food-quality and safety analysis},\n\tvolume = {30},\n\tissn = {0165-9936},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0165993610003134},\n\tdoi = {10.1016/j.trac.2010.11.001},\n\tabstract = {Direct analysis in real time (DART) is an ambient ionization technique undergoing rapid development. With minimal sample pre-treatment, ionization of analyte molecules outside the mass spectrometry (MS) instrument in the ordinary atmosphere is feasible. This ionization approach relies upon the fundamental principles of atmospheric pressure chemical ionization.\n\nThe current review highlights and critically assesses application of DART (and some related desorption/ionization techniques) coupled to various types of MS analyzers for both target and non-target analysis of complex food matrices. Based on existing studies, DART-MS is presented as a simple, high-throughput tool for:(i)\nqualitative confirmation of chemical identity;\n(ii)\nmetabolomic fingerprinting/profiling; and,\n(iii)\nquantification of low-molecular-weight food components, including some trace organic contaminants.\n\n\nWith regard to regulatory requirements, we mention practical aspects of DART-MS use, as well as performance characteristics that can be attained.},\n\tnumber = {2},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Hajslova, Jana and Cajka, Tomas and Vaclavik, Lukas},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Ambient ionization, Atmospheric pressure chemical ionization, Contaminant, DART, Direct analysis in real time, Fingerprinting, Food quality, Food safety, Profiling, mass spectrometry},\n\tpages = {204--218},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is an ambient ionization technique undergoing rapid development. With minimal sample pre-treatment, ionization of analyte molecules outside the mass spectrometry (MS) instrument in the ordinary atmosphere is feasible. This ionization approach relies upon the fundamental principles of atmospheric pressure chemical ionization. The current review highlights and critically assesses application of DART (and some related desorption/ionization techniques) coupled to various types of MS analyzers for both target and non-target analysis of complex food matrices. Based on existing studies, DART-MS is presented as a simple, high-throughput tool for:(i) qualitative confirmation of chemical identity; (ii) metabolomic fingerprinting/profiling; and, (iii) quantification of low-molecular-weight food components, including some trace organic contaminants. With regard to regulatory requirements, we mention practical aspects of DART-MS use, as well as performance characteristics that can be attained.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry and its applications in chemical analysis.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Morlock, G. E.; and Revelsky, I. A.\n\n\n \n\n\n\n Russian Chemical Reviews, 80(3): 235. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_dart_2011,\n\ttitle = {{DART} mass spectrometry and its applications in chemical analysis},\n\tvolume = {80},\n\turl = {http://stacks.iop.org/0036-021X/80/i=3/a=R03},\n\tabstract = {Published data on the fundamental and applied aspects of DART mass spectrometry are surveyed. The DART ionization principles and the key parameters affecting the analytical characteristics of the method and the mass spectra of the determined compounds are considered. The advantages and drawbacks of DART mass spectrometry are discussed and the existing and prospective applications are outlined.},\n\tnumber = {3},\n\tjournal = {Russian Chemical Reviews},\n\tauthor = {Chernetsova, Elena S. and Morlock, G. E. and Revelsky, Igor A.},\n\tyear = {2011},\n\tkeywords = {review},\n\tpages = {235},\n}\n\n\n\n
\n
\n\n\n
\n Published data on the fundamental and applied aspects of DART mass spectrometry are surveyed. The DART ionization principles and the key parameters affecting the analytical characteristics of the method and the mass spectra of the determined compounds are considered. The advantages and drawbacks of DART mass spectrometry are discussed and the existing and prospective applications are outlined.\n
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\n \n\n \n \n \n \n \n \n Determination of drugs and drug-like compounds in different samples with direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Chernetsova, E. S.; and Morlock, G. E.\n\n\n \n\n\n\n Mass Spectrometry Reviews, 30(5): 875–883. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{chernetsova_determination_2011,\n\ttitle = {Determination of drugs and drug-like compounds in different samples with direct analysis in real time mass spectrometry},\n\tvolume = {30},\n\tissn = {1098-2787},\n\turl = {http://dx.doi.org/10.1002/mas.20304},\n\tdoi = {10.1002/mas.20304},\n\tabstract = {Direct analysis in real time (DART), a relatively new ionization source for mass spectrometry, ionizes small-molecule components from different kinds of samples without any sample preparation and chromatographic separation. The current paper reviews the published data available on the determination of drugs and drug-like compounds in different matrices with DART-MS, including identification and quantitation issues. Parameters that affect ionization efficiency and mass spectra composition are also discussed. © 2011 Wiley Periodicals, Inc., Mass Spec Rev 30:875–883, 2011},\n\tnumber = {5},\n\tjournal = {Mass Spectrometry Reviews},\n\tauthor = {Chernetsova, Elena S. and Morlock, Gertrud E.},\n\tyear = {2011},\n\tkeywords = {Ambient mass spectrometry, DART, Direct analysis in real time, drugs, identification, quantitation, review; direct analysis in real time; DART; drugs; identification; quantitation; ambient mass spectrometry},\n\tpages = {875--883},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART), a relatively new ionization source for mass spectrometry, ionizes small-molecule components from different kinds of samples without any sample preparation and chromatographic separation. The current paper reviews the published data available on the determination of drugs and drug-like compounds in different matrices with DART-MS, including identification and quantitation issues. Parameters that affect ionization efficiency and mass spectra composition are also discussed. © 2011 Wiley Periodicals, Inc., Mass Spec Rev 30:875–883, 2011\n
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\n \n\n \n \n \n \n \n \n Development and validation of AccuTOF-DART™ as a screening method for analysis of bank security device and pepper spray components.\n \n \n \n \n\n\n \n Pfaff, A. M.; and Steiner, R. R.\n\n\n \n\n\n\n Forensic Science International, 206(1–3): 62–70. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DevelopmentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{pfaff_development_2011,\n\ttitle = {Development and validation of {AccuTOF}-{DART}™ as a screening method for analysis of bank security device and pepper spray components},\n\tvolume = {206},\n\tissn = {0379-0738},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0379073810003154},\n\tdoi = {10.1016/j.forsciint.2010.06.018},\n\tabstract = {Analysis of bank security devices, containing 1-methylaminoanthraquinone (MAAQ) and o-chlorobenzylidenemalononitrile (CS), and pepper sprays, containing capsaicin, is a lengthy process with no specific screening technique to aid in identifying samples of interest. Direct Analysis in Real Time (DART™) ionization coupled with an Accurate Time of Flight (AccuTOF) mass detector is a fast, ambient ionization source that could significantly reduce time spent on these cases and increase the specificity of the screening process. A new method for screening clothing for bank dye and pepper spray, using AccuTOF-DART™ analysis, has been developed. Detection of MAAQ, CS, and capsaicin was achieved via extraction of each compound onto cardstock paper, which was then sampled in the AccuTOF-DART™. All results were verified using gas chromatography coupled with electron impact mass spectrometry.},\n\tnumber = {1–3},\n\tjournal = {Forensic Science International},\n\tauthor = {Pfaff, Allison M. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {Bank dye, Direct analysis in real time, Forensic science; Bank dye; Pepper spray; Direct Analysis in Real Time; Mass spectrometry; Time of flight; AccuTOF, Pepper spray, forensic science, mass spectrometry, time of flight},\n\tpages = {62--70},\n}\n\n\n\n
\n
\n\n\n
\n Analysis of bank security devices, containing 1-methylaminoanthraquinone (MAAQ) and o-chlorobenzylidenemalononitrile (CS), and pepper sprays, containing capsaicin, is a lengthy process with no specific screening technique to aid in identifying samples of interest. Direct Analysis in Real Time (DART™) ionization coupled with an Accurate Time of Flight (AccuTOF) mass detector is a fast, ambient ionization source that could significantly reduce time spent on these cases and increase the specificity of the screening process. A new method for screening clothing for bank dye and pepper spray, using AccuTOF-DART™ analysis, has been developed. Detection of MAAQ, CS, and capsaicin was achieved via extraction of each compound onto cardstock paper, which was then sampled in the AccuTOF-DART™. All results were verified using gas chromatography coupled with electron impact mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Coupled to Multiplexed Drift Tube Ion Mobility Spectrometry for Detecting Toxic Chemicals.\n \n \n \n \n\n\n \n Harris, G. A.; Kwasnik, M.; and Fernández, F. M.\n\n\n \n\n\n\n Anal. Chem., 83(6): 1908–1915. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{harris_direct_2011,\n\ttitle = {Direct {Analysis} in {Real} {Time} {Coupled} to {Multiplexed} {Drift} {Tube} {Ion} {Mobility} {Spectrometry} for {Detecting} {Toxic} {Chemicals}},\n\tvolume = {83},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac102246h},\n\tdoi = {10.1021/ac102246h},\n\tabstract = {Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95\\% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81\\% v/v for DMMP, 1.13\\% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28\\% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.\nCurrent and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95\\% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81\\% v/v for DMMP, 1.13\\% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28\\% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.},\n\tnumber = {6},\n\tjournal = {Anal. Chem.},\n\tauthor = {Harris, Glenn A. and Kwasnik, Mark and Fernández, Facundo M.},\n\tyear = {2011},\n\tpages = {1908--1915},\n}\n\n\n\n
\n
\n\n\n
\n Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81% v/v for DMMP, 1.13% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections. Current and future chemical threats to homeland security motivate the need for new chemical detection systems to provide border, transportation, and workplace security. We present the first successful coupling of a commercial direct analysis in real time (DART) ion source to a resistive glass monolithic drift tube ion mobility spectrometer (DTIMS) as the basis for a low maintenance, versatile, and robust chemical monitoring system. in situ ionization within the electric field gradient of the instrument enhances sensitivity and provides a safe sampling strategy. The instrument uses nitrogen as both the DART discharge and DTIMS drift gases, allowing for a high electric field to be used for ion separation while keeping cost-of-use low. With the use of a traditional signal averaging acquisition mode, the 95% probability of detection (POD) for analytes sampled from melting point capillary tubes was 11.81% v/v for DMMP, 1.13% v/v for 2-CEES, and 10.61 mM for methamidophos. Sensitivity was improved via a prototype transmission-mode geometry interface, resulting in an almost 2 orders of magnitude decrease in the POD level for DMMP (0.28% v/v). As an alternative to transmission mode operation, digital multiplexing of the DTIMS ion injection step was also implemented, finding a 3-fold improvement in signal-to-noise ratios for 200 ?s gate injections and a 4.5-fold for 400 ?s gate injections.\n
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\n \n\n \n \n \n \n \n \n Epiafzelechin from the Root Bark of Cassia sieberiana: Detection by DART Mass Spectrometry, Spectroscopic Characterization, and Antioxidant Properties.\n \n \n \n \n\n\n \n Kpegba, K.; Agbonon, A.; Petrovic, A. G.; Amouzou, E.; Gbeassor, M.; Proni, G.; and Nesnas, N.\n\n\n \n\n\n\n Journal of Natural Products, 74(3): 455–459. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"EpiafzelechinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kpegba_epiafzelechin_2011,\n\ttitle = {Epiafzelechin from the {Root} {Bark} of {Cassia} sieberiana: {Detection} by {DART} {Mass} {Spectrometry}, {Spectroscopic} {Characterization}, and {Antioxidant} {Properties}},\n\tvolume = {74},\n\tissn = {0163-3864, 1520-6025},\n\tshorttitle = {Epiafzelechin from the {Root} {Bark} of {Cassia} sieberiana},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/np100090e},\n\tdoi = {10.1021/np100090e},\n\tabstract = {The root bark of Cassia sieberiana was analyzed using direct analysis in real time mass spectrometry, and a main flavonoid component with an [M + H]+ mass of 275 was identified. The flavonoid, epiafzelechin, was isolated and fully characterized with the concerted use of NMR spectroscopy, circular dichroism, and optical rotation. Electronic circular dichroism and optical rotation TDDFT calculations were also performed, and their agreement with the experimental results confirmed the enantiomeric identity of the isolated natural product. The antioxidant activity of the compound was also investigated.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Journal of Natural Products},\n\tauthor = {Kpegba, Kafui and Agbonon, Amegnona and Petrovic, Ana G. and Amouzou, Etchri and Gbeassor, Messanvi and Proni, Gloria and Nesnas, Nasri},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {455--459},\n}\n\n\n\n
\n
\n\n\n
\n The root bark of Cassia sieberiana was analyzed using direct analysis in real time mass spectrometry, and a main flavonoid component with an [M + H]+ mass of 275 was identified. The flavonoid, epiafzelechin, was isolated and fully characterized with the concerted use of NMR spectroscopy, circular dichroism, and optical rotation. Electronic circular dichroism and optical rotation TDDFT calculations were also performed, and their agreement with the experimental results confirmed the enantiomeric identity of the isolated natural product. The antioxidant activity of the compound was also investigated.\n
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\n \n\n \n \n \n \n \n \n Evaluation of direct analysis in real time mass spectrometry for onsite monitoring of batch slurry reactions.\n \n \n \n \n\n\n \n Cho, D. S.; Gibson, S. C.; Bhandari, D.; McNally, M. E.; Hoffman, R. M.; Cook, K. D.; and Song, L.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(23): 3575–3580. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"EvaluationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cho_evaluation_2011,\n\ttitle = {Evaluation of direct analysis in real time mass spectrometry for onsite monitoring of batch slurry reactions},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5269},\n\tdoi = {10.1002/rcm.5269},\n\tabstract = {Batch slurry reactions are widely used in the industrial manufacturing of chemicals, pharmaceuticals, petrochemicals and polymers. However, onsite monitoring of batch slurry reactions is still not feasible in production plants due to the challenge in analyzing heterogeneous samples without complicated sample preparation procedures. In this study, direct analysis in real time mass spectrometry (DART-MS) has been evaluated for the onsite monitoring of a model batch slurry reaction. The results suggested that automation of the sampling process of DART-MS is important to achieve quantitative results. With a sampling technique of manual sample deposition on melting point capillaries followed by automatic sample introduction across the helium beam, relative standard deviation (RSD) of the protonated molecule signals from the reaction product of the model batch slurry reaction ranged from 6 to 30\\%. This RSD range is improved greatly over a sampling technique of manual sample deposition followed by manual sample introduction where the RSDs are up to 110\\%. Furthermore, with the semi-automated sampling approach, semi-quantitative analysis of slurry samples has been achieved. Better quantification is expected with a fully automated sampling approach. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {23},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Cho, David S. and Gibson, Stephen C. and Bhandari, Deepak and McNally, Mary Ellen and Hoffman, Ron M. and Cook, Kelsey D. and Song, Liguo},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {3575--3580},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Batch slurry reactions are widely used in the industrial manufacturing of chemicals, pharmaceuticals, petrochemicals and polymers. However, onsite monitoring of batch slurry reactions is still not feasible in production plants due to the challenge in analyzing heterogeneous samples without complicated sample preparation procedures. In this study, direct analysis in real time mass spectrometry (DART-MS) has been evaluated for the onsite monitoring of a model batch slurry reaction. The results suggested that automation of the sampling process of DART-MS is important to achieve quantitative results. With a sampling technique of manual sample deposition on melting point capillaries followed by automatic sample introduction across the helium beam, relative standard deviation (RSD) of the protonated molecule signals from the reaction product of the model batch slurry reaction ranged from 6 to 30%. This RSD range is improved greatly over a sampling technique of manual sample deposition followed by manual sample introduction where the RSDs are up to 110%. Furthermore, with the semi-automated sampling approach, semi-quantitative analysis of slurry samples has been achieved. Better quantification is expected with a fully automated sampling approach. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Fast identification of phthalic acid esters in poly(vinyl chloride) samples by Direct Analysis In Real Time (DART) tandem mass spectrometry.\n \n \n \n \n\n\n \n Kuki, Á.; Nagy, L.; Zsuga, M.; and Kéki, S.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 303(2–3): 225–228. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"FastPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kuki_fast_2011,\n\ttitle = {Fast identification of phthalic acid esters in poly(vinyl chloride) samples by {Direct} {Analysis} {In} {Real} {Time} ({DART}) tandem mass spectrometry},\n\tvolume = {303},\n\tissn = {1387-3806},\n\turl = {http://www.sciencedirect.com/science/article/pii/S1387380611000698},\n\tdoi = {10.1016/j.ijms.2011.02.011},\n\tabstract = {It was found that the collision energy/voltage necessary to obtain 50\\% fragmentation (CV50) was linearly dependent on the molecular weight of phthalic acid esters (PAEs). Based on this observation a fast screening technique for the detection of PAEs in poly vinyl chloride (PVC) samples was developed using Direct Analysis in Real Time (DART) ionization tandem mass spectrometry. Based on this observation an automated data acquisition method, including mass-dependent tuning of the collision energy/voltage in DART-MS/MS, was developed thereby reducing the analysis time.},\n\tnumber = {2–3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Kuki, Ákos and Nagy, Lajos and Zsuga, Miklós and Kéki, Sándor},\n\tyear = {2011},\n\tkeywords = {Direct Analysis in Real Time ionization (DART), Phthalic acid ester, Poly(vinyl chloride), Tandem mass spectrometry (MS/MS)},\n\tpages = {225--228},\n}\n\n\n\n
\n
\n\n\n
\n It was found that the collision energy/voltage necessary to obtain 50% fragmentation (CV50) was linearly dependent on the molecular weight of phthalic acid esters (PAEs). Based on this observation a fast screening technique for the detection of PAEs in poly vinyl chloride (PVC) samples was developed using Direct Analysis in Real Time (DART) ionization tandem mass spectrometry. Based on this observation an automated data acquisition method, including mass-dependent tuning of the collision energy/voltage in DART-MS/MS, was developed thereby reducing the analysis time.\n
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\n \n\n \n \n \n \n \n \n Identification and semi-quantitative analysis of parabens and UV filters in cosmetic products by direct-analysis-in-real-time mass spectrometry and gas chromatography with mass spectrometric detection.\n \n \n \n \n\n\n \n Haunschmidt, M.; Buchberger, W.; Klampfl, C. W.; and Hertsens, R.\n\n\n \n\n\n\n Anal. Methods, 3(1): 99–104. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_identification_2011,\n\ttitle = {Identification and semi-quantitative analysis of parabens and {UV} filters in cosmetic products by direct-analysis-in-real-time mass spectrometry and gas chromatography with mass spectrometric detection},\n\tvolume = {3},\n\tissn = {1759-9660},\n\turl = {http://dx.doi.org/10.1039/C0AY00588F},\n\tabstract = {A method based on direct-analysis-in-real-time mass spectrometry (DART-MS) for the qualitative and semi-quantitative analysis of eight organic UV filters and four parabens in twelve cosmetic products with substantially different formulations (as cream, milk, lotion, oil, lipstick) was developed. All tested substances could be identified unambiguously in the investigated samples without any sample pre-treatment. Direct analysis of cosmetic products allows semi-quantitative determination of parabens. For UV filters no satisfactory results were obtained by direct analysis but all analytes could be quantified by simply dissolving the samples in methanol, addition of an internal standard and subsequent measurement of the solution by DART-MS without further pre-treatment. The results obtained using DART-MS were confirmed by a more established method namely gas chromatography with mass spectrometric detection (GC-MS).},\n\tnumber = {1},\n\tjournal = {Anal. Methods},\n\tauthor = {Haunschmidt, Manuela and Buchberger, Wolfgang and Klampfl, Christian W. and Hertsens, Robert},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {99--104},\n}\n\n\n\n
\n
\n\n\n
\n A method based on direct-analysis-in-real-time mass spectrometry (DART-MS) for the qualitative and semi-quantitative analysis of eight organic UV filters and four parabens in twelve cosmetic products with substantially different formulations (as cream, milk, lotion, oil, lipstick) was developed. All tested substances could be identified unambiguously in the investigated samples without any sample pre-treatment. Direct analysis of cosmetic products allows semi-quantitative determination of parabens. For UV filters no satisfactory results were obtained by direct analysis but all analytes could be quantified by simply dissolving the samples in methanol, addition of an internal standard and subsequent measurement of the solution by DART-MS without further pre-treatment. The results obtained using DART-MS were confirmed by a more established method namely gas chromatography with mass spectrometric detection (GC-MS).\n
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\n \n\n \n \n \n \n \n \n Identification of ambiguous cubeb fruit by DART-MS-based fingerprinting combined with principal component analysis.\n \n \n \n \n\n\n \n Kim, H. J.; Baek, W. S.; and Jang, Y. P.\n\n\n \n\n\n\n Food Chemistry, 129(3): 1305–1310. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kim_identification_2011,\n\ttitle = {Identification of ambiguous cubeb fruit by {DART}-{MS}-based fingerprinting combined with principal component analysis},\n\tvolume = {129},\n\tissn = {0308-8146},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0308814611007862},\n\tdoi = {10.1016/j.foodchem.2011.05.083},\n\tabstract = {The cubeb berry has been used as a spice and medicinal herb since medieval times. In China, Litsea cubeba (Lauraceae) has been designated as the cubeb tree; in other countries, Piper cubeba (Piperaceae) is considered as the cubeb. Since most cubeb berries in the Korean market are imported from China, there is a need to develop an efficient analytical method for the identification of the origin of cubeb fruit. Thirty-two commercial cubeb samples were collected from China, Korea, and Indonesia, and direct analysis in real time mass spectrometry (DART-MS) was employed to obtain a chemical fingerprint of each sample for multivariate analysis. Cubebene was identified as a marker molecule for P. cubeba, and all cubeb samples from Korean markets were identified as the fruit of L. cubeba. DART-MS fingerprinting together with principal component analysis can be applied as a promising method for rapid identification and/or quality control of cubeb berries.},\n\tnumber = {3},\n\tjournal = {Food Chemistry},\n\tauthor = {Kim, Hye Jin and Baek, Wan Sook and Jang, Young Pyo},\n\tyear = {2011},\n\tkeywords = {Cubeb berries, Cubeb berries; Piper cubeba; Litsea cubeba; DART-MS; Principal component analysis; AccuTOF, DART-MS, Litsea cubeba, Piper cubeba, Principal component analysis},\n\tpages = {1305--1310},\n}\n\n\n\n
\n
\n\n\n
\n The cubeb berry has been used as a spice and medicinal herb since medieval times. In China, Litsea cubeba (Lauraceae) has been designated as the cubeb tree; in other countries, Piper cubeba (Piperaceae) is considered as the cubeb. Since most cubeb berries in the Korean market are imported from China, there is a need to develop an efficient analytical method for the identification of the origin of cubeb fruit. Thirty-two commercial cubeb samples were collected from China, Korea, and Indonesia, and direct analysis in real time mass spectrometry (DART-MS) was employed to obtain a chemical fingerprint of each sample for multivariate analysis. Cubebene was identified as a marker molecule for P. cubeba, and all cubeb samples from Korean markets were identified as the fruit of L. cubeba. DART-MS fingerprinting together with principal component analysis can be applied as a promising method for rapid identification and/or quality control of cubeb berries.\n
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\n \n\n \n \n \n \n \n \n Precursors and Formation of Pyrithione and Other Pyridyl-Containing Sulfur Compounds in Drumstick Onion, Allium stipitatum.\n \n \n \n \n\n\n \n Kubec, R.; Krejčová, P.; Šimek, P.; Václavík, L.; Hajšlová, J.; and Schraml, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(10): 5763–5770. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PrecursorsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kubec_precursors_2011,\n\ttitle = {Precursors and {Formation} of {Pyrithione} and {Other} {Pyridyl}-{Containing} {Sulfur} {Compounds} in {Drumstick} {Onion}, {Allium} stipitatum},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf200704n},\n\tdoi = {10.1021/jf200704n},\n\tabstract = {Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.\nTwo novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.},\n\tnumber = {10},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Kubec, Roman and Krejčová, Petra and Šimek, Petr and Václavík, Lukáš and Hajšlová, Jana and Schraml, Jan},\n\tyear = {2011},\n\tkeywords = {Allium stipitatum; S-(2-pyridyl)cysteine N-oxide; marasmin; sulfenic acid; DART-MS; pyrithione; AccuTOF},\n\tpages = {5763--5770},\n}\n\n\n\n
\n
\n\n\n
\n Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product. Two novel, structurally unusual cysteine derivatives were isolated from the bulbs of Allium stipitatum (Allium subg. Melanocrommyum) and shown to be S-(2-pyridyl)cysteine N-oxide and S-(2-pyridyl)glutathione N-oxide. The former compound is the first example of a naturally occurring alliinase substrate that contains an N-oxide functionality instead of the S-oxide group. In addition, S-methylcysteine S-oxide (methiin) and S-(methylthiomethyl)cysteine 4-oxide (marasmin) were found in the bulbs. Presented data suggest that the previously reported identification of S-(2-pyridyl)cysteine S-oxide was most likely erroneous. The alliinase-mediated formation of pyridyl-containing compounds following disruption of A. stipitatum bulbs was studied by a combination of HPLC-MS, HPLC-PDA, DART-MS, and NMR techniques. It was found that no pyridyl-containing thiosulfinates are present in homogenized bulbs in detectable quantities. Instead, various pyridine N-oxide derivatives are formed, including N-hydroxypyridine-2(1H)-thione (pyrithione), 2-(methyldithio)pyridine N-oxide, 2-[(methylthio)methyldithio]pyridine N-oxide, di(2-pyridyl) disulfide N-oxide, and di(2-pyridyl) disulfide N,N?-dioxide. This represents the first report of pyrithione formation as a natural product.\n
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\n \n\n \n \n \n \n \n \n Principal component directed partial least squares analysis for combining nuclear magnetic resonance and mass spectrometry data in metabolomics: Application to the detection of breast cancer.\n \n \n \n \n\n\n \n Gu, H.; Pan, Z.; Xi, B.; Asiago, V.; Musselman, B.; and Raftery, D.\n\n\n \n\n\n\n Analytica Chimica Acta, 686(1–2): 57–63. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PrincipalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{gu_principal_2011,\n\ttitle = {Principal component directed partial least squares analysis for combining nuclear magnetic resonance and mass spectrometry data in metabolomics: {Application} to the detection of breast cancer},\n\tvolume = {686},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267010014558},\n\tdoi = {10.1016/j.aca.2010.11.040},\n\tabstract = {Nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) are the two most commonly used analytical tools in metabolomics, and their complementary nature makes the combination particularly attractive. A combined analytical approach can improve the potential for providing reliable methods to detect metabolic profile alterations in biofluids or tissues caused by disease, toxicity, etc. In this paper, 1H NMR spectroscopy and direct analysis in real time (DART)-MS were used for the metabolomics analysis of serum samples from breast cancer patients and healthy controls. Principal component analysis (PCA) of the NMR data showed that the first principal component (PC1) scores could be used to separate cancer from normal samples. However, no such obvious clustering could be observed in the PCA score plot of DART-MS data, even though DART-MS can provide a rich and informative metabolic profile. Using a modified multivariate statistical approach, the DART-MS data were then reevaluated by orthogonal signal correction (OSC) pretreated partial least squares (PLS), in which the Y matrix in the regression was set to the PC1 score values from the NMR data analysis. This approach, and a similar one using the first latent variable from PLS-DA of the NMR data resulted in a significant improvement of the separation between the disease samples and normals, and a metabolic profile related to breast cancer could be extracted from DART-MS. The new approach allows the disease classification to be expressed on a continuum as opposed to a binary scale and thus better represents the disease and healthy classifications. An improved metabolic profile obtained by combining MS and NMR by this approach may be useful to achieve more accurate disease detection and gain more insight regarding disease mechanisms and biology.},\n\tnumber = {1–2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Gu, Haiwei and Pan, Zhengzheng and Xi, Bowei and Asiago, Vincent and Musselman, Brian and Raftery, Daniel},\n\tyear = {2011},\n\tkeywords = {Breast cancer, Direct analysis in real time, Human serum, Nuclear magnetic resonance, Orthogonal signal correction, Partial least squares, mass spectrometry, metabolomics},\n\tpages = {57--63},\n}\n\n\n\n
\n
\n\n\n
\n Nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS) are the two most commonly used analytical tools in metabolomics, and their complementary nature makes the combination particularly attractive. A combined analytical approach can improve the potential for providing reliable methods to detect metabolic profile alterations in biofluids or tissues caused by disease, toxicity, etc. In this paper, 1H NMR spectroscopy and direct analysis in real time (DART)-MS were used for the metabolomics analysis of serum samples from breast cancer patients and healthy controls. Principal component analysis (PCA) of the NMR data showed that the first principal component (PC1) scores could be used to separate cancer from normal samples. However, no such obvious clustering could be observed in the PCA score plot of DART-MS data, even though DART-MS can provide a rich and informative metabolic profile. Using a modified multivariate statistical approach, the DART-MS data were then reevaluated by orthogonal signal correction (OSC) pretreated partial least squares (PLS), in which the Y matrix in the regression was set to the PC1 score values from the NMR data analysis. This approach, and a similar one using the first latent variable from PLS-DA of the NMR data resulted in a significant improvement of the separation between the disease samples and normals, and a metabolic profile related to breast cancer could be extracted from DART-MS. The new approach allows the disease classification to be expressed on a continuum as opposed to a binary scale and thus better represents the disease and healthy classifications. An improved metabolic profile obtained by combining MS and NMR by this approach may be useful to achieve more accurate disease detection and gain more insight regarding disease mechanisms and biology.\n
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\n \n\n \n \n \n \n \n \n Purification of pharmaceutical preparations using thin-layer chromatography to obtain mass spectra with Direct Analysis in Real Time and accurate mass spectrometry.\n \n \n \n \n\n\n \n Wood, J. L.; and Steiner, R. R.\n\n\n \n\n\n\n Drug Testing and Analysis, 3(6): 345–351. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PurificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{wood_purification_2011,\n\ttitle = {Purification of pharmaceutical preparations using thin-layer chromatography to obtain mass spectra with {Direct} {Analysis} in {Real} {Time} and accurate mass spectrometry},\n\tvolume = {3},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.293},\n\tdoi = {10.1002/dta.293},\n\tabstract = {Forensic analysis of pharmaceutical preparations requires a comparative analysis with a standard of the suspected drug in order to identify the active ingredient. Purchasing analytical standards can be expensive or unattainable from the drug manufacturers. Direct Analysis in Real Time (DART™) is a novel, ambient ionization technique, typically coupled with a JEOL AccuTOF™ (accurate mass) mass spectrometer. While a fast and easy technique to perform, a drawback of using DART™ is the lack of component separation of mixtures prior to ionization. Various in-house pharmaceutical preparations were purified using thin-layer chromatography (TLC) and mass spectra were subsequently obtained using the AccuTOF™- DART™ technique. Utilizing TLC prior to sample introduction provides a simple, low-cost solution to acquiring mass spectra of the purified preparation. Each spectrum was compared against an in-house molecular formula list to confirm the accurate mass elemental compositions. Spectra of purified ingredients of known pharmaceuticals were added to an in-house library for use as comparators for casework samples. Resolving isomers from one another can be accomplished using collision-induced dissociation after ionization. Challenges arose when the pharmaceutical preparation required an optimized TLC solvent to achieve proper separation and purity of the standard. Purified spectra were obtained for 91 preparations and included in an in-house drug standard library. Primary standards would only need to be purchased when pharmaceutical preparations not previously encountered are submitted for comparative analysis. TLC prior to DART™ analysis demonstrates a time efficient and cost saving technique for the forensic drug analysis community. Copyright © 2011 John Wiley \\& Sons, Ltd.},\n\tnumber = {6},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Wood, Jessica L. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Direct analysis in real time, forensic science, pharmaceutical preparations, thin-layer chromatography, time of flight},\n\tpages = {345--351},\n}\n\n\n\n
\n
\n\n\n
\n Forensic analysis of pharmaceutical preparations requires a comparative analysis with a standard of the suspected drug in order to identify the active ingredient. Purchasing analytical standards can be expensive or unattainable from the drug manufacturers. Direct Analysis in Real Time (DART™) is a novel, ambient ionization technique, typically coupled with a JEOL AccuTOF™ (accurate mass) mass spectrometer. While a fast and easy technique to perform, a drawback of using DART™ is the lack of component separation of mixtures prior to ionization. Various in-house pharmaceutical preparations were purified using thin-layer chromatography (TLC) and mass spectra were subsequently obtained using the AccuTOF™- DART™ technique. Utilizing TLC prior to sample introduction provides a simple, low-cost solution to acquiring mass spectra of the purified preparation. Each spectrum was compared against an in-house molecular formula list to confirm the accurate mass elemental compositions. Spectra of purified ingredients of known pharmaceuticals were added to an in-house library for use as comparators for casework samples. Resolving isomers from one another can be accomplished using collision-induced dissociation after ionization. Challenges arose when the pharmaceutical preparation required an optimized TLC solvent to achieve proper separation and purity of the standard. Purified spectra were obtained for 91 preparations and included in an in-house drug standard library. Primary standards would only need to be purchased when pharmaceutical preparations not previously encountered are submitted for comparative analysis. TLC prior to DART™ analysis demonstrates a time efficient and cost saving technique for the forensic drug analysis community. Copyright © 2011 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Qualitative Analysis of Tackifier Resins in Pressure Sensitive Adhesives Using Direct Analysis in Real Time Time-of-Flight Mass Spectrometry.\n \n \n \n \n\n\n \n Mess, A.; Vietzke, J.; Rapp, C.; and Francke, W.\n\n\n \n\n\n\n Anal. Chem., 83(19): 7323–7330. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"QualitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{mess_qualitative_2011,\n\ttitle = {Qualitative {Analysis} of {Tackifier} {Resins} in {Pressure} {Sensitive} {Adhesives} {Using} {Direct} {Analysis} in {Real} {Time} {Time}-of-{Flight} {Mass} {Spectrometry}},\n\tvolume = {83},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac2011608},\n\tdoi = {10.1021/ac2011608},\n\tabstract = {Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1\\% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.\nTackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1\\% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.},\n\tnumber = {19},\n\tjournal = {Anal. Chem.},\n\tauthor = {Mess, Aylin and Vietzke, Jens-Peter and Rapp, Claudius and Francke, Wittko},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {7323--7330},\n}\n\n\n\n\n\n\n\n
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\n Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs. Tackifier resins play an important role as additives in pressure sensitive adhesives (PSAs) to modulate their desired properties. With dependence on their origin and processing, tackifier resins can be multicomponent mixtures. Once they have been incorporated in a polymer matrix, conventional chemical analysis of tackifiers usually tends to be challenging because a suitable sample pretreatment and/or separation is necessary and all characteristic components have to be detected for an unequivocal identification of the resin additive. Nevertheless, a reliable analysis of tackifiers is essential for product quality and safety reasons. A promising approach for the examination of tackifier resins in PSAs is the novel direct analysis in real time mass spectrometry (DART-MS) technique, which enables screening analysis without time-consuming sample preparation. In the present work, four key classes of tackifier resins were studied (rosin, terpene phenolic, polyterpene, and hydrocarbon resins). Their corresponding complex mass spectra were interpreted and used as reference spectra for subsequent analyses. These data were used to analyze tackifier additives in synthetic rubber and acrylic adhesive matrixes. To prove the efficiency of the developed method, complete PSA products containing two or three different tackifiers were analyzed. The tackifier resins were successfully identified, while measurement time and interpretation took less than 10 mins per sample. Determination of resin additives in PSAs can be performed down to 0.1% (w/w, limit of detection) using the three most abundant signals for each tackifier. In summary, DART-MS is a rapid and efficient screening method for the analysis of various tackifiers in PSAs.\n
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\n \n\n \n \n \n \n \n \n Quantitative analysis of major dibenzocyclooctane lignans in schisandrae fructus by online TLC-DART-MS.\n \n \n \n \n\n\n \n Kim, H. J.; Oh, M. S.; Hong, J.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis, 22(3): 258–262. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitativePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_quantitative_2011,\n\ttitle = {Quantitative analysis of major dibenzocyclooctane lignans in schisandrae fructus by online {TLC}-{DART}-{MS}},\n\tvolume = {22},\n\tissn = {09580344},\n\turl = {http://doi.wiley.com/10.1002/pca.1273},\n\tdoi = {10.1002/pca.1273},\n\tabstract = {Introduction – Direct analysis in real time (DART) ion source is a powerful ionising technique for the quick and easy detection of various organic molecules without any sample preparation steps, but the lack of quantitation capacity limits its extensive use in the field of phytochemical analysis.\nObjective – To improvise a new system which utilize DART-MS as a hyphenated detector for quantitation.\nMethodology – A total extract of Schisandra chinensis fruit was analyzed on a TLC plate and three major lignan compounds were quantitated by three different methods of UV densitometry, TLC-DART-MS and HPLC-UV to compare the efficiency of each method. To introduce the TLC plate into the DART ion source at a constant velocity, a syringe pump was employed. The DART-MS total ion current chromatogram was recorded for the entire TLC plate. The concentration of each lignan compound was calculated from the calibration curve established with standard compound.\nResults – Gomisin A, gomisin N and schisandrin were well separated on a silica-coated TLC plate and the specific ion current chromatograms were successfully acquired from the TLC-DART-MS system. The TLC-DART-MS system for the quantitation of natural products showed better linearity and specificity than TLC densitometry, and consumed less time and solvent than conventional HPLC method.\nConclusion – A hyphenated system for the quantitation of phytochemicals from crude herbal drugs was successfully established. This system was shown to have a powerful analytical capacity for the prompt and efficient quantitation of natural products from crude drugs.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Oh, Myung Sook and Hong, Jongki and Jang, Young Pyo},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {258--262},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Introduction – Direct analysis in real time (DART) ion source is a powerful ionising technique for the quick and easy detection of various organic molecules without any sample preparation steps, but the lack of quantitation capacity limits its extensive use in the field of phytochemical analysis. Objective – To improvise a new system which utilize DART-MS as a hyphenated detector for quantitation. Methodology – A total extract of Schisandra chinensis fruit was analyzed on a TLC plate and three major lignan compounds were quantitated by three different methods of UV densitometry, TLC-DART-MS and HPLC-UV to compare the efficiency of each method. To introduce the TLC plate into the DART ion source at a constant velocity, a syringe pump was employed. The DART-MS total ion current chromatogram was recorded for the entire TLC plate. The concentration of each lignan compound was calculated from the calibration curve established with standard compound. Results – Gomisin A, gomisin N and schisandrin were well separated on a silica-coated TLC plate and the specific ion current chromatograms were successfully acquired from the TLC-DART-MS system. The TLC-DART-MS system for the quantitation of natural products showed better linearity and specificity than TLC densitometry, and consumed less time and solvent than conventional HPLC method. Conclusion – A hyphenated system for the quantitation of phytochemicals from crude herbal drugs was successfully established. This system was shown to have a powerful analytical capacity for the prompt and efficient quantitation of natural products from crude drugs.\n
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\n \n\n \n \n \n \n \n \n Rapid identification and absence of drug tests for AG-013736 in 1 mg Axitinib tablets by ion mobility spectrometry and DART™ mass spectrometry.\n \n \n \n \n\n\n \n Likar, M. D.; Cheng, G.; Mahajan, N.; and Zhang, Z.\n\n\n \n\n\n\n Journal of Pharmaceutical and Biomedical Analysis, 55(3): 569–573. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{likar_rapid_2011,\n\ttitle = {Rapid identification and absence of drug tests for {AG}-013736 in 1 mg {Axitinib} tablets by ion mobility spectrometry and {DART}™ mass spectrometry},\n\tvolume = {55},\n\tissn = {0731-7085},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0731708511001099},\n\tdoi = {10.1016/j.jpba.2011.02.021},\n\tabstract = {Axitinib (AG-013736) is a potent investigational drug that has antitumor activity in patients with metastatic renal cell carcinoma and other types of cancers. In this study, ion mobility spectrometry and “direct analysis in real time” (DART™) mass spectrometry were used to rapidly identify AG-013736 in drug substance samples and 1\\&\\#xa0;mg Axitinib tablets. The plasmagrams of the sample solutions exhibited a major peak with a reduced ion mobility that was within ±0.0002\\&\\#xa0;cm2\\&\\#xa0;V−1\\&\\#xa0;s−1 of that for AG-013736 in an external reference standard solution. The DART ionization source was coupled with both a time-of-flight mass spectrometer and a lower-resolution ion trap mass spectrometer. Samples were analyzed by this technique in as little as 5\\&\\#xa0;s with minimal to no sample preparation required. The isotopic masses of the protonated dimer ions of AG-013736 were used to identify AG-013736 in the active tablet. Both techniques were also used to develop low-level limit tests for rapidly verifying the presence or absence of AG-013736 in blinded clinical supplies of active and matching placebo tablets of Axitinib.},\n\tnumber = {3},\n\tjournal = {Journal of Pharmaceutical and Biomedical Analysis},\n\tauthor = {Likar, Michael D. and Cheng, Guilong and Mahajan, Nidhi and Zhang, Zhongli},\n\tyear = {2011},\n\tkeywords = {Axitinib, Direct analysis in real time, Ion mobility spectrometry, Ion mobility spectrometry; Direct analysis in real time; Mass spectrometry; Axitinib; AccuTOF, mass spectrometry},\n\tpages = {569--573},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Axitinib (AG-013736) is a potent investigational drug that has antitumor activity in patients with metastatic renal cell carcinoma and other types of cancers. In this study, ion mobility spectrometry and “direct analysis in real time” (DART™) mass spectrometry were used to rapidly identify AG-013736 in drug substance samples and 1 mg Axitinib tablets. The plasmagrams of the sample solutions exhibited a major peak with a reduced ion mobility that was within ±0.0002 cm2 V−1 s−1 of that for AG-013736 in an external reference standard solution. The DART ionization source was coupled with both a time-of-flight mass spectrometer and a lower-resolution ion trap mass spectrometer. Samples were analyzed by this technique in as little as 5 s with minimal to no sample preparation required. The isotopic masses of the protonated dimer ions of AG-013736 were used to identify AG-013736 in the active tablet. Both techniques were also used to develop low-level limit tests for rapidly verifying the presence or absence of AG-013736 in blinded clinical supplies of active and matching placebo tablets of Axitinib.\n
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\n \n\n \n \n \n \n \n Simple and Rapid Screening for Methamphetamine and 3,4-Methylene- dioxymethamphetamine (MDMA) and Their Metabolites in Urine Using Direct Analysis in Real Time (DART)-TOFMS.\n \n \n \n\n\n \n Kawamura, M.; Kikura-Hanajiri, R.; and Goda, Y.\n\n\n \n\n\n\n Yakugaku Zasshi, 131(5): 827–833. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{kawamura_simple_2011,\n\ttitle = {Simple and {Rapid} {Screening} for {Methamphetamine} and 3,4-{Methylene}- dioxymethamphetamine ({MDMA}) and {Their} {Metabolites} in {Urine} {Using} {Direct} {Analysis} in {Real} {Time} ({DART})-{TOFMS}},\n\tvolume = {131},\n\tdoi = {10.1248/yakushi.131.827},\n\tabstract = {An ionization technique, direct analysis in real time (DART) has recently been developed for the ambient ionization of a variety samples. The DART coupled with time-of-flight mass spectrometry (TOFMS) would be useful as a simple and rapid screening for the targeted compounds in various samples, because it provides the molecular information of these compounds without time-consuming extraction. In this study, we investigated rapid screening methods of illicit drugs and their metabolites, such as methamphetamine (MA), 3,4-methylenedioxymethamphetamine (MDMA), amphetamine (AP) and 3,4-methylenedioxyamphetamine (MDA) in human urine using DART-TOFMS. As serious matrix effects caused by urea in urine samples and ionizations of the targeted compounds were greatly suppressed in the DART-TOFMS analyses, simple pretreatment methods to remove the urea from the samples were investigated. When a pipette tip-type solid-phase extraction with a dichloromethane and isopropanol mixed solution as an eluent was used for the pretreatment, the limits of detection (LODs) of 4 compounds added to control urine samples were 0.25 μg/ml. On the other hand, the LODs of these compounds were 0.5 μg/ml by a liquid-liquid extraction using a dichloromethane and hexane mixed solution. In both extractions, the recoveries of 4 compounds from urine samples were over 70\\% and these extraction methods showed good linearity in the range of 0.5-5 μg/ml by GC-MS analyses. In conclusion, our proposed method using DART-TOFMS could simultaneously detect MA, MDMA and their metabolites in urine at 0.5 μg/ml without time-consuming pretreatment steps. Therefore it would be useful for screening drugs in urine with the molecular information.},\n\tnumber = {5},\n\tjournal = {Yakugaku Zasshi},\n\tauthor = {Kawamura, M. and Kikura-Hanajiri, R. and Goda, Y.},\n\tyear = {2011},\n\tkeywords = {direct analysis in real time; methamphetamine; 3,4-methylenedioxymethamphetamine; urine; time-of-flight mass spectrometry; AccuTOF},\n\tpages = {827--833},\n}\n\n\n\n
\n
\n\n\n
\n An ionization technique, direct analysis in real time (DART) has recently been developed for the ambient ionization of a variety samples. The DART coupled with time-of-flight mass spectrometry (TOFMS) would be useful as a simple and rapid screening for the targeted compounds in various samples, because it provides the molecular information of these compounds without time-consuming extraction. In this study, we investigated rapid screening methods of illicit drugs and their metabolites, such as methamphetamine (MA), 3,4-methylenedioxymethamphetamine (MDMA), amphetamine (AP) and 3,4-methylenedioxyamphetamine (MDA) in human urine using DART-TOFMS. As serious matrix effects caused by urea in urine samples and ionizations of the targeted compounds were greatly suppressed in the DART-TOFMS analyses, simple pretreatment methods to remove the urea from the samples were investigated. When a pipette tip-type solid-phase extraction with a dichloromethane and isopropanol mixed solution as an eluent was used for the pretreatment, the limits of detection (LODs) of 4 compounds added to control urine samples were 0.25 μg/ml. On the other hand, the LODs of these compounds were 0.5 μg/ml by a liquid-liquid extraction using a dichloromethane and hexane mixed solution. In both extractions, the recoveries of 4 compounds from urine samples were over 70% and these extraction methods showed good linearity in the range of 0.5-5 μg/ml by GC-MS analyses. In conclusion, our proposed method using DART-TOFMS could simultaneously detect MA, MDMA and their metabolites in urine at 0.5 μg/ml without time-consuming pretreatment steps. Therefore it would be useful for screening drugs in urine with the molecular information.\n
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\n \n\n \n \n \n \n \n \n Simplified and rapid determination of polychlorinated biphenyls, polybrominated diphenyl ethers, and polycyclic aromatic hydrocarbons in fish and shrimps integrated into a single method.\n \n \n \n \n\n\n \n Kalachova, K.; Pulkrabova, J.; Drabova, L.; Cajka, T.; Kocourek, V.; and Hajslova, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 707(1–2): 84–91. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SimplifiedPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{kalachova_simplified_2011,\n\ttitle = {Simplified and rapid determination of polychlorinated biphenyls, polybrominated diphenyl ethers, and polycyclic aromatic hydrocarbons in fish and shrimps integrated into a single method},\n\tvolume = {707},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267011012347},\n\tdoi = {10.1016/j.aca.2011.09.016},\n\tabstract = {In this study, a new rapid and flexible method for the simultaneous determination of 18 key representatives of polychlorinated biphenyls (PCBs), 7 polybrominated diphenyl ethers (PBDEs), and 32 polycyclic aromatic hydrocarbons (PAHs) in fish and shrimps by gas chromatography coupled to mass spectrometry (GC–MS) was developed and validated. A substantial simplification of sample processing prior to quantification step was achieved: after addition of water to homogenized sample, transfer of hydrophobic analytes into ethyl acetate was supported by added inorganic salts. Bulk fat, contained in crude organic extract obtained by partition, was subsequently removed on a silica minicolumn. This approach enabled to process six samples in less than 1\\&\\#xa0;h; moreover, the volume of an extraction solvent and consumption of other chemicals can be significantly reduced compared to, e.g., traditional Soxhlet extraction followed by gel permeation chromatography. The recoveries of target analytes were in the range of 73–120\\% even at the lowest spiking level (1\\&\\#xa0;μg\\&\\#xa0;kg−1), repeatabilities (relative standard deviations, RSDs) ranged from 1 to 20\\%. Under optimized GC–MS conditions (time-of-flight mass analyzer, TOF), the limits of quantification (LOQs) were as follows: PCBs 0.1–0.5\\&\\#xa0;μg\\&\\#xa0;kg−1, PBDEs 0.5\\&\\#xa0;μg\\&\\#xa0;kg−1, and PAHs 0.05–0.25\\&\\#xa0;μg\\&\\#xa0;kg−1. Ambient mass spectrometry employing a direct analysis in real time (DART) ion source was shown as an effective tool for fat control in extract, which is needed during the method development and examination of unknown samples prior to the analysis. Further extension of a method scope by other similar analytes is easily possible.},\n\tnumber = {1–2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Kalachova, Kamila and Pulkrabova, Jana and Drabova, Lucie and Cajka, Tomas and Kocourek, Vladimir and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {DART, Fish, Fish; Shrimps; PCB; PBDE; PAH; GC–TOFMS; DART; AccuTOF, GC–TOFMS, PAH, PBDE, PCB, Shrimps},\n\tpages = {84--91},\n}\n\n\n\n
\n
\n\n\n
\n In this study, a new rapid and flexible method for the simultaneous determination of 18 key representatives of polychlorinated biphenyls (PCBs), 7 polybrominated diphenyl ethers (PBDEs), and 32 polycyclic aromatic hydrocarbons (PAHs) in fish and shrimps by gas chromatography coupled to mass spectrometry (GC–MS) was developed and validated. A substantial simplification of sample processing prior to quantification step was achieved: after addition of water to homogenized sample, transfer of hydrophobic analytes into ethyl acetate was supported by added inorganic salts. Bulk fat, contained in crude organic extract obtained by partition, was subsequently removed on a silica minicolumn. This approach enabled to process six samples in less than 1 h; moreover, the volume of an extraction solvent and consumption of other chemicals can be significantly reduced compared to, e.g., traditional Soxhlet extraction followed by gel permeation chromatography. The recoveries of target analytes were in the range of 73–120% even at the lowest spiking level (1 μg kg−1), repeatabilities (relative standard deviations, RSDs) ranged from 1 to 20%. Under optimized GC–MS conditions (time-of-flight mass analyzer, TOF), the limits of quantification (LOQs) were as follows: PCBs 0.1–0.5 μg kg−1, PBDEs 0.5 μg kg−1, and PAHs 0.05–0.25 μg kg−1. Ambient mass spectrometry employing a direct analysis in real time (DART) ion source was shown as an effective tool for fat control in extract, which is needed during the method development and examination of unknown samples prior to the analysis. Further extension of a method scope by other similar analytes is easily possible.\n
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\n \n\n \n \n \n \n \n \n Surface swabbing technique for the rapid screening for pesticides using ambient pressure desorption ionization with high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Edison, S. E.; Lin, L. A.; Gamble, B. M.; Wong, J.; and Zhang, K.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(1): 127–139. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"SurfacePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{edison_surface_2011,\n\ttitle = {Surface swabbing technique for the rapid screening for pesticides using ambient pressure desorption ionization with high-resolution mass spectrometry},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4831},\n\tdoi = {10.1002/rcm.4831},\n\tabstract = {A rapid screening method for pesticides has been developed to promote more efficient processing of produce entering the United States. Foam swabs were used to recover a multiclass mixture of 132 pesticides from the surfaces of grapes, apples, and oranges. The swabs were analyzed using direct analysis in real time (DART) ionization coupled with a high-resolution Exactive Orbitrap™ mass spectrometer. By using a DART helium temperature gradient from 100–350°C over 3 min, a minimal separation of analytes based on volatility differences was achieved. This, combined with the Exactive's mass resolution of 100 000, allowed the chromatographic step, along with the typical compositing and extraction steps associated with gas chromatography/mass spectrometry (GC/MS) or liquid chromatography/mass spectrometry (LC/MS) approaches, to be eliminated. Detection of 86\\% of the analytes present was consistently achieved at levels of 2 ng/g (per each apple or orange) and 10 ng/g (per grape). A resolution study was conducted with four pairs of isobaric compounds analyzed at a mass resolution of 100 000. Baseline separation was achieved with analyte ions differing in mass by 25 ppm and analyte ions with a mass difference of 10 ppm were partially resolved. In addition, field samples that had undergone traditional sample preparation using QuEChERS (quick, easy, cheap, rugged, and safe) were analyzed using both LC/MS and DART-MS and the results from the two techniques were found to be comparable in terms of identification of the pesticides present. The use of swabs greatly increased sample throughput by reducing sample preparation and analysis time. Published in 2010 by John Wiley \\& Sons, Ltd.},\n\tnumber = {1},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Edison, Sara. E. and Lin, Lora A. and Gamble, Bryan M. and Wong, Jon and Zhang, Kai},\n\tyear = {2011},\n\tkeywords = {Orbitrap},\n\tpages = {127--139},\n}\n\n\n\n
\n
\n\n\n
\n A rapid screening method for pesticides has been developed to promote more efficient processing of produce entering the United States. Foam swabs were used to recover a multiclass mixture of 132 pesticides from the surfaces of grapes, apples, and oranges. The swabs were analyzed using direct analysis in real time (DART) ionization coupled with a high-resolution Exactive Orbitrap™ mass spectrometer. By using a DART helium temperature gradient from 100–350°C over 3 min, a minimal separation of analytes based on volatility differences was achieved. This, combined with the Exactive's mass resolution of 100 000, allowed the chromatographic step, along with the typical compositing and extraction steps associated with gas chromatography/mass spectrometry (GC/MS) or liquid chromatography/mass spectrometry (LC/MS) approaches, to be eliminated. Detection of 86% of the analytes present was consistently achieved at levels of 2 ng/g (per each apple or orange) and 10 ng/g (per grape). A resolution study was conducted with four pairs of isobaric compounds analyzed at a mass resolution of 100 000. Baseline separation was achieved with analyte ions differing in mass by 25 ppm and analyte ions with a mass difference of 10 ppm were partially resolved. In addition, field samples that had undergone traditional sample preparation using QuEChERS (quick, easy, cheap, rugged, and safe) were analyzed using both LC/MS and DART-MS and the results from the two techniques were found to be comparable in terms of identification of the pesticides present. The use of swabs greatly increased sample throughput by reducing sample preparation and analysis time. Published in 2010 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Thin Layer Chromatography/Plasma Assisted Multiwavelength Laser Desorption Ionization Mass Spectrometry for Facile Separation and Selective Identification of Low Molecular Weight Compounds.\n \n \n \n \n\n\n \n Zhang, J.; Zhou, Z.; Yang, J.; Zhang, W.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Anal. Chem., 84(3): 1496–1503. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ThinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zhang_thin_2011,\n\ttitle = {Thin {Layer} {Chromatography}/{Plasma} {Assisted} {Multiwavelength} {Laser} {Desorption} {Ionization} {Mass} {Spectrometry} for {Facile} {Separation} and {Selective} {Identification} of {Low} {Molecular} {Weight} {Compounds}},\n\tvolume = {84},\n\tissn = {0003-2700},\n\turl = {http://dx.doi.org/10.1021/ac202732y},\n\tdoi = {10.1021/ac202732y},\n\tabstract = {A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.\nA novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.},\n\tnumber = {3},\n\tjournal = {Anal. Chem.},\n\tauthor = {Zhang, Jialing and Zhou, Zhigui and Yang, Jianwang and Zhang, Wei and Bai, Yu and Liu, Huwei},\n\tyear = {2011},\n\tkeywords = {DART, LDI, laser desorption, TLC},\n\tpages = {1496--1503},\n}\n\n\n\n
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\n A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2. A novel plasma assisted multiwavelength (1064, 532, and 355 nm) laser desorption ionization mass spectrometry (PAMLDI-MS) system was fabricated and applied in the analysis of low molecular weight compounds through combination with thin layer chromatography (TLC). The TLC/PAMLDI-MS system successfully integrated TLC, the multiwavelength laser ablation, and the excitated state plasma from direct analysis in real time (DART) and was proved to be effective in the facile separation and selective identification of low molecular weight compounds. An automated three-dimensional platform was utilized to facilitate the analysis procedures with all the parameters of the TLC/PAMLDI-MS systematically optimized, and the desorption/ionization mechanisms were discussed. The successful combination of three-wavelength laser with DART based system extended the range of the analytes and provided broad possibilities for the compound desorption from the TLC. The experimental results clearly showed that the laser desorption was wavelength dependent. The PAMLDI-MS system was successfully applied in the detection of low molecular weight compounds from different kinds of samples separated on a normal-phase silica gel, such as dye mixtures, drug standards, and tea extract, with the detection level of 5 ng/mm2.\n
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\n \n\n \n \n \n \n \n \n Validation of Thin Layer Chromatography with AccuTOF-DART™ Detection for Forensic Drug Analysis*.\n \n \n \n \n\n\n \n Howlett, S. E.; and Steiner, R. R.\n\n\n \n\n\n\n Journal of Forensic Sciences, 56(5): 1261–1267. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{howlett_validation_2011,\n\ttitle = {Validation of {Thin} {Layer} {Chromatography} with {AccuTOF}-{DART}™ {Detection} for {Forensic} {Drug} {Analysis}*},\n\tvolume = {56},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2011.01881.x},\n\tdoi = {10.1111/j.1556-4029.2011.01881.x},\n\tabstract = {Abstract:  Thin layer chromatography (TLC) is a technique that is commonly employed in the forensic drug analysis of pharmaceutical preparations. Detection is typically accomplished using various visualization spray reagents. Conventional gas chromatography–mass spectrometry (GC-MS) analysis is typically performed to confirm the TLC results. Depending on the drugs tested and the instrument conditions required, this confirmation can take up to an hour to complete. Direct analysis in real time (DART™) is an ionization source, coupled to an accurate-mass time-of-flight mass spectrometer that has the capability to ionize materials under ambient conditions. To streamline analysis, the combination of TLC with DART™ detection is proposed to screen and subsequently identify drug compounds, all from the same TLC plate. DART™ confirmations of TLC analyses take {\\textless}10 min to complete and compare favorably to GC-MS in sensitivity and selectivity. This study validates the use of TLC-DART in the forensic identification of the components of several pharmaceutical preparations.},\n\tnumber = {5},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Howlett, Susanne E. and Steiner, Robert R.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time, controlled substances, forensic science, forensic science; controlled substances; thin layer chromatography; direct analysis in real time; mass spectrometry; time of flight; AccuTOF, mass spectrometry, thin layer chromatography, time of flight},\n\tpages = {1261--1267},\n}\n\n\n\n
\n
\n\n\n
\n Abstract:  Thin layer chromatography (TLC) is a technique that is commonly employed in the forensic drug analysis of pharmaceutical preparations. Detection is typically accomplished using various visualization spray reagents. Conventional gas chromatography–mass spectrometry (GC-MS) analysis is typically performed to confirm the TLC results. Depending on the drugs tested and the instrument conditions required, this confirmation can take up to an hour to complete. Direct analysis in real time (DART™) is an ionization source, coupled to an accurate-mass time-of-flight mass spectrometer that has the capability to ionize materials under ambient conditions. To streamline analysis, the combination of TLC with DART™ detection is proposed to screen and subsequently identify drug compounds, all from the same TLC plate. DART™ confirmations of TLC analyses take \\textless10 min to complete and compare favorably to GC-MS in sensitivity and selectivity. This study validates the use of TLC-DART in the forensic identification of the components of several pharmaceutical preparations.\n
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\n \n\n \n \n \n \n \n \n Analysis of Alprazolam by DART-TOF Mass Spectrometry in Counterfeit and Routine Drug Identification Cases.\n \n \n \n \n\n\n \n Samms, W. C.; Jiang, Y. J.; Dixon, M. D.; Houck, S. S.; and Mozayani, A.\n\n\n \n\n\n\n Journal of Forensic Sciences, 56(4): 993–998. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{samms_analysis_2011,\n\ttitle = {Analysis of {Alprazolam} by {DART}-{TOF} {Mass} {Spectrometry} in {Counterfeit} and {Routine} {Drug} {Identification} {Cases}},\n\tvolume = {56},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2011.01767.x},\n\tdoi = {10.1111/j.1556-4029.2011.01767.x},\n\tabstract = {Abstract:  The high prevalence of alprazolam abuse translates to an increased workload for crime laboratories in characterizing seized tablets. These tablets may originate as diverted pharmaceuticals or counterfeited mimics, so efficient analytical techniques should provide confirmatory data while minimizing destruction of evidence. We offer the first report of a validated forensic method for confirming alprazolam tablets by direct analysis in real time–time of flight (DART-TOF) mass spectrometric analysis. This technique provides rapid identification of target analytes with minimal sample preparation, allowing direct analysis in the atmospheric sample gap. Selectivity is achieved through high resolution and mass accuracy, unique ion fragments, and chlorine isotopic ratios. This method utilizes fragmentation in two separate voltage functions to observe the alprazolam pseudo molecular ion at 309.09070 using 40 V and major ion fragments of 281.07197 and 205.07657 at 120 V. These parameters allow our laboratory to confirm alprazolam tablets efficiently, without compromising quality forensic standards.},\n\tnumber = {4},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Samms, Warren C. and Jiang, Yongyi Julia and Dixon, Mark D. and Houck, Stephen S. and Mozayani, Ashraf},\n\tyear = {2011},\n\tkeywords = {AccuTOF, Direct analysis in real time, alprazolam, confirmation, controlled substances, counterfeit, forensic science},\n\tpages = {993--998},\n}\n\n\n\n\n\n\n\n
\n
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\n Abstract:  The high prevalence of alprazolam abuse translates to an increased workload for crime laboratories in characterizing seized tablets. These tablets may originate as diverted pharmaceuticals or counterfeited mimics, so efficient analytical techniques should provide confirmatory data while minimizing destruction of evidence. We offer the first report of a validated forensic method for confirming alprazolam tablets by direct analysis in real time–time of flight (DART-TOF) mass spectrometric analysis. This technique provides rapid identification of target analytes with minimal sample preparation, allowing direct analysis in the atmospheric sample gap. Selectivity is achieved through high resolution and mass accuracy, unique ion fragments, and chlorine isotopic ratios. This method utilizes fragmentation in two separate voltage functions to observe the alprazolam pseudo molecular ion at 309.09070 using 40 V and major ion fragments of 281.07197 and 205.07657 at 120 V. These parameters allow our laboratory to confirm alprazolam tablets efficiently, without compromising quality forensic standards.\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry employing a DART ion source for metabolomic fingerprinting/profiling: a powerful tool for beer origin recognition.\n \n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Metabolomics, 7(4): 500–508. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cajka_ambient_2011,\n\ttitle = {Ambient mass spectrometry employing a {DART} ion source for metabolomic fingerprinting/profiling: a powerful tool for beer origin recognition},\n\tvolume = {7},\n\tissn = {1573-3882},\n\turl = {http://dx.doi.org/10.1007/s11306-010-0266-z},\n\tdoi = {10.1007/s11306-010-0266-z},\n\tabstract = {A metabolomic fingerprinting/profiling generated by ambient mass spectrometry (MS) employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) was employed as a tool for beer origin recognition. In a first step, the DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in beer samples (direct measurement, no sample preparation). In the next step, metabolomic profiles (mass spectra) of a large set of different beer brands (Trappist and non-Trappist specialty beers) were acquired. In the final phase, the experimental data were analyzed using partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) with the aim of distinguishing (i) the beers labeled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. The best prediction ability was obtained for the model that distinguished the group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided ≥95\\% correct classification. The current study showed that DART–TOFMS metabolomic fingerprinting/profiling is a powerful analytical strategy enabling quality monitoring/authenticity assessment to be conducted in real time.},\n\tnumber = {4},\n\tjournal = {Metabolomics},\n\tauthor = {Cajka, Tomas and Riddellova, Katerina and Tomaniova, Monika and Hajslova, Jana},\n\tyear = {2011},\n\tkeywords = {Beer; Authenticity; Traceability; Direct analysis in real time; Mass spectrometry; Multivariate analysis; Metabolomic fingerprinting/profiling; AccuTOF},\n\tpages = {500--508},\n}\n\n\n\n
\n
\n\n\n
\n A metabolomic fingerprinting/profiling generated by ambient mass spectrometry (MS) employing a direct analysis in real time (DART) ion source coupled to high-resolution time-of-flight mass spectrometry (TOFMS) was employed as a tool for beer origin recognition. In a first step, the DART–TOFMS instrumental conditions were optimized to obtain the broadest possible representation of ionizable compounds occurring in beer samples (direct measurement, no sample preparation). In the next step, metabolomic profiles (mass spectra) of a large set of different beer brands (Trappist and non-Trappist specialty beers) were acquired. In the final phase, the experimental data were analyzed using partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) with the aim of distinguishing (i) the beers labeled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. The best prediction ability was obtained for the model that distinguished the group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided ≥95% correct classification. The current study showed that DART–TOFMS metabolomic fingerprinting/profiling is a powerful analytical strategy enabling quality monitoring/authenticity assessment to be conducted in real time.\n
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\n \n\n \n \n \n \n \n \n Ambient desorption ionization mass spectrometry (DART, DESI) and its bioanalytical applications.\n \n \n \n \n\n\n \n Morlock, G.\n\n\n \n\n\n\n Bioanalytical Reviews, 3(1): 1–9. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{morlock_ambient_2011,\n\ttitle = {Ambient desorption ionization mass spectrometry ({DART}, {DESI}) and its bioanalytical applications},\n\tvolume = {3},\n\tissn = {1867-2086},\n\turl = {http://dx.doi.org/10.1007/s12566-010-0019-5},\n\tdoi = {10.1007/s12566-010-0019-5},\n\tabstract = {In recent years, ambient desorption ionization techniques for mass spectrometry were introduced. Among them, the most established techniques are Direct Analysis in Real Time (DART) and Desorption Electrospray Ionization (DESI). Therefore, the current review focuses on the bioanalytical applications of ambient desorption ionization techniques by the example of DART and DESI mass spectrometry. The potential and also limitations of both ambient mass spectrometry (MS) techniques in such areas, as identification and quantitation of small molecules, coupling DART-MS and DESI-MS with planar chromatography, protein/peptide analysis, as well as molecular imaging applications, are discussed.},\n\tnumber = {1},\n\tjournal = {Bioanalytical Reviews},\n\tauthor = {Morlock, Gertrud},\n\tyear = {2011},\n\tkeywords = {Ambient mass spectrometry, Bioanalytical methods, Chemistry and Materials Science, Desorption electrospray ionization – DESI, Direct analysis in real time – DART, identification, quantitation},\n\tpages = {1--9},\n}\n\n\n\n
\n
\n\n\n
\n In recent years, ambient desorption ionization techniques for mass spectrometry were introduced. Among them, the most established techniques are Direct Analysis in Real Time (DART) and Desorption Electrospray Ionization (DESI). Therefore, the current review focuses on the bioanalytical applications of ambient desorption ionization techniques by the example of DART and DESI mass spectrometry. The potential and also limitations of both ambient mass spectrometry (MS) techniques in such areas, as identification and quantitation of small molecules, coupling DART-MS and DESI-MS with planar chromatography, protein/peptide analysis, as well as molecular imaging applications, are discussed.\n
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\n \n\n \n \n \n \n \n \n Allium Discoloration: The Precursor and Formation of the Red Pigment in Giant Onion (Allium giganteum Regel) and Some Other Subgenus Melanocrommyum Species.\n \n \n \n \n\n\n \n Kučerová, P.; Kubec, R.; Šimek, P.; Václavík, L.; and Schraml, J.\n\n\n \n\n\n\n J. Agric. Food Chem., 59(5): 1821–1828. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"AlliumPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kucerova_allium_2011,\n\ttitle = {Allium {Discoloration}: {The} {Precursor} and {Formation} of the {Red} {Pigment} in {Giant} {Onion} ({Allium} giganteum {Regel}) and {Some} {Other} {Subgenus} {Melanocrommyum} {Species}},\n\tvolume = {59},\n\tissn = {0021-8561},\n\turl = {http://dx.doi.org/10.1021/jf104195k},\n\tdoi = {10.1021/jf104195k},\n\tabstract = {The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).\nThe precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).},\n\tnumber = {5},\n\tjournal = {J. Agric. Food Chem.},\n\tauthor = {Kučerová, Petra and Kubec, Roman and Šimek, Petr and Václavík, Lukáš and Schraml, Jan},\n\tyear = {2011},\n\tkeywords = {S-(2-pyrrolyl)cysteine S-oxide; S-(3-pyrrolyl)cysteine S-oxide; giant onion; Allium giganteum; Melanocrommyum; discoloration; thiosulfinate; pigment; LC−NMR; DART-MS; sulfenic acid; non-protein amino acid; AccuTOF},\n\tpages = {1821--1828},\n}\n\n\n\n
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\n The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa). The precursor of the orange-red pigment formed upon wounding the bulbs of Allium giganteum (Allium subg. Melanocrommyum) was isolated and shown to be S-(2-pyrrolyl)cysteine S-oxide. In addition, two other pyrrolylsulfinyl derivatives were found in an extract from the bulbs, namely, 3-(2-pyrrolylsulfinyl)lactic acid and S-(3-pyrrolyl)cysteine S-oxide. Contrary to a previous report, the latter compound was shown not to serve as the precursor of the pigment, being in fact only an artifact formed during isolation. The formation of pyrrolyl-containing compounds following disruption of A. giganteum bulbs was studied by a combination of LC?MS, LC?NMR and DART-MS. It was found that S-(2-pyrrolyl)cysteine S-oxide is cleaved by a C?S lyase (alliinase) to yield 2-pyrrolesulfenic acid. Two molecules of the latter compound give rise to highly reactive S-(2-pyrrolyl) 2-pyrrolethiosulfinate which in turn converts into red 2,2?-epidithio-3,3?-dipyrrole (dipyrrolo[2,3-d:2?,3?-e]-1,2-dithiin). Several other pyrrolyl-containing compounds were detected in A. giganteum for the first time, including S-methyl 2-pyrrolethiosulfinate, S-(2-pyrrolyl) methanethiosulfinate, di(2-pyrrolyl) disulfide, and S-(2-pyrrolyl) 2-pyrrolethiosulfonate. It can be concluded that the formation of the orange-red pigment in Allium subg. Melanocrommyum species, despite sharing several analogous features, is of a different nature than the pink discoloration of onion (A. cepa).\n
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\n \n\n \n \n \n \n \n Ambient ionization mass spectrometry: A tutorial.\n \n \n \n\n\n \n Huang, M.; Cheng, S.; Cho, Y.; and Shiea, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 702(1): 1–15. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{huang_ambient_2011,\n\ttitle = {Ambient ionization mass spectrometry: {A} tutorial},\n\tvolume = {702},\n\tabstract = {Ambient ionization is a set of mass spectrometric ionization techniques performed under ambient conditions that allows the direct analysis of sample surfaces with little or no sample pretreatment. Using combinations of different types of sample introduction systems and ionization methods, several novel techniques have been developed over the last few years with many applications (e.g., food safety screening; detection of pharmaceuticals and drug abuse; monitoring of environmental pollutants; detection of explosives for antiterrorism and forensics; characterization of biological compounds for proteomics and metabolomics; molecular imaging analysis; and monitoring chemical and biochemical reactions). Electrospray ionization and atmospheric pressure chemical ionization are the two main ionization principles most commonly used in ambient ionization mass spectrometry. This tutorial paper provides a review of the publications related to ambient ionization techniques. We describe and compare the underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques.},\n\tnumber = {1},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Huang, Min-Zong and Cheng, Sy-Chi and Cho, Yi-Tzu and Shiea, Jentaie},\n\tyear = {2011},\n\tkeywords = {review; Ambient; Desorption/ionization; Two-step ionization; Electrospray ionization; Atmospheric pressure chemical ionization},\n\tpages = {1--15},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Ambient ionization is a set of mass spectrometric ionization techniques performed under ambient conditions that allows the direct analysis of sample surfaces with little or no sample pretreatment. Using combinations of different types of sample introduction systems and ionization methods, several novel techniques have been developed over the last few years with many applications (e.g., food safety screening; detection of pharmaceuticals and drug abuse; monitoring of environmental pollutants; detection of explosives for antiterrorism and forensics; characterization of biological compounds for proteomics and metabolomics; molecular imaging analysis; and monitoring chemical and biochemical reactions). Electrospray ionization and atmospheric pressure chemical ionization are the two main ionization principles most commonly used in ambient ionization mass spectrometry. This tutorial paper provides a review of the publications related to ambient ionization techniques. We describe and compare the underlying principles of operation, ionization processes, detecting mass ranges, sensitivity, and representative applications of these techniques.\n
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\n \n\n \n \n \n \n \n \n Danshen extract does not alter pharmacokinetics of docetaxel and clopidogrel, reflecting its negligible potential in P-glycoprotein- and cytochrome P4503A-mediated herb–drug interactions.\n \n \n \n \n\n\n \n Lee, J. H.; Shin, Y.; Kim, H. J.; Oh, J.; Jang, Y. P.; and Lee, Y.\n\n\n \n\n\n\n International Journal of Pharmaceutics, 410(1-2): 68–74. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DanshenPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{lee_danshen_2011,\n\ttitle = {Danshen extract does not alter pharmacokinetics of docetaxel and clopidogrel, reflecting its negligible potential in {P}-glycoprotein- and cytochrome {P4503A}-mediated herb–drug interactions},\n\tvolume = {410},\n\turl = {http://dx.doi.org/10.1016/j.ijpharm.2011.03.031},\n\tabstract = {Danshen (Salvia miltiorrhiza) contains tanshinones, which inhibit P-glycoprotein (P-gp) and the cytochrome P450 (CYP) system. In the present study, we evaluated the possible pharmacokinetic interactions of Danshen extract with docetaxel and clopidogrel in rats. Docetaxel (5 mg/kg intravenously and 40 mg/kg orally) or clopidogrel (30 mg/kg orally) was administered to rats with or without oral co-administration of Danshen (400 mg/kg). Co-administration of Danshen did not affect the plasma concentration profiles and pharmacokinetic parameters of docetaxel and clopidogrel, whereas cyclosporine A, a P-gp and CYP3A inhibitor, significantly influenced the pharmacokinetics of co-administered docetaxel and clopidogrel. Orally administered Danshen had no substantial effect on the pharmacokinetics of docetaxel and clopidogrel, suggesting the negligible safety concern of Danshen in P-gp- and CYP3A-mediated interactions in vivo.},\n\tnumber = {1-2},\n\tjournal = {International Journal of Pharmaceutics},\n\tauthor = {Lee, Joo Hyun and Shin, Yong-Jun and Kim, Hye Jin and Oh, Ju-Hee and Jang, Young Pyo and Lee, Young-Joo},\n\tyear = {2011},\n\tkeywords = {Danshen; Docetaxel; Clopidogrel; Pharmacokinetic interaction; P-glycoprotein; Cytochrome P450 3A; AccuTOF},\n\tpages = {68--74},\n}\n\n\n\n
\n
\n\n\n
\n Danshen (Salvia miltiorrhiza) contains tanshinones, which inhibit P-glycoprotein (P-gp) and the cytochrome P450 (CYP) system. In the present study, we evaluated the possible pharmacokinetic interactions of Danshen extract with docetaxel and clopidogrel in rats. Docetaxel (5 mg/kg intravenously and 40 mg/kg orally) or clopidogrel (30 mg/kg orally) was administered to rats with or without oral co-administration of Danshen (400 mg/kg). Co-administration of Danshen did not affect the plasma concentration profiles and pharmacokinetic parameters of docetaxel and clopidogrel, whereas cyclosporine A, a P-gp and CYP3A inhibitor, significantly influenced the pharmacokinetics of co-administered docetaxel and clopidogrel. Orally administered Danshen had no substantial effect on the pharmacokinetics of docetaxel and clopidogrel, suggesting the negligible safety concern of Danshen in P-gp- and CYP3A-mediated interactions in vivo.\n
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\n \n\n \n \n \n \n \n \n Thin layer chromatography/mass spectrometry.\n \n \n \n \n\n\n \n Cheng, S.; Huang, M.; and Shiea, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1218(19): 2700–2711. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"ThinPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cheng_thin_2011,\n\ttitle = {Thin layer chromatography/mass spectrometry},\n\tvolume = {1218},\n\turl = {http://dx.doi.org/10.1016/j.chroma.2011.01.077},\n\tabstract = {Thin layer chromatography (TLC)—a simple, cost-effective, and easy-to-operate planar chromatographic technique—has been used in general chemistry laboratories for several decades to routinely separate chemical and biochemical compounds. Traditionally, chemical and optical methods are employed to visualize the analyte spots on the TLC plate. Because direct identification and structural characterization of the analytes on the TLC plate through these methods are not possible, there has been long-held interest in the development of interfaces that allow TLC to be combined with mass spectrometry (MS)—one of the most efficient analytical tools for structural elucidation. So far, many different TLC–MS techniques have been reported in the literature; some are commercially available. According to differences in their operational processes, the existing TLC–MS systems can be classified into two categories: (i) indirect mass spectrometric analyses, performed by scraping, extracting, purifying, and concentrating the analyte from the TLC plate and then directing it into the mass spectrometer's ion source for further analysis; (ii) direct mass spectrometric analyses, where the analyte on the TLC plate is characterized directly through mass spectrometry without the need for scraping, extraction, or concentration processes. Conventionally, direct TLC–MS analysis is performed under vacuum, but the development of ambient mass spectrometry has allowed analytes on TLC plates to be characterized under atmospheric pressure. Thus, TLC–MS techniques can also be classified into two other categories according to the working environment of the ion source: vacuum-based TLC–MS or ambient TLC–MS. This review article describes the state of the art of TLC–MS techniques used for indirect and direct characterization of analytes on the surfaces of TLC plates.},\n\tnumber = {19},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Cheng, Sy-Chyi and Huang, Min-Zong and Shiea, Jentaie},\n\tyear = {2011},\n\tkeywords = {Review; TLC–MS; Ambient ionization; Vacuum-based ionization; Desorption/ionization; Direct sampling; Indirect sampling},\n\tpages = {2700--2711},\n}\n\n\n\n
\n
\n\n\n
\n Thin layer chromatography (TLC)—a simple, cost-effective, and easy-to-operate planar chromatographic technique—has been used in general chemistry laboratories for several decades to routinely separate chemical and biochemical compounds. Traditionally, chemical and optical methods are employed to visualize the analyte spots on the TLC plate. Because direct identification and structural characterization of the analytes on the TLC plate through these methods are not possible, there has been long-held interest in the development of interfaces that allow TLC to be combined with mass spectrometry (MS)—one of the most efficient analytical tools for structural elucidation. So far, many different TLC–MS techniques have been reported in the literature; some are commercially available. According to differences in their operational processes, the existing TLC–MS systems can be classified into two categories: (i) indirect mass spectrometric analyses, performed by scraping, extracting, purifying, and concentrating the analyte from the TLC plate and then directing it into the mass spectrometer's ion source for further analysis; (ii) direct mass spectrometric analyses, where the analyte on the TLC plate is characterized directly through mass spectrometry without the need for scraping, extraction, or concentration processes. Conventionally, direct TLC–MS analysis is performed under vacuum, but the development of ambient mass spectrometry has allowed analytes on TLC plates to be characterized under atmospheric pressure. Thus, TLC–MS techniques can also be classified into two other categories according to the working environment of the ion source: vacuum-based TLC–MS or ambient TLC–MS. This review article describes the state of the art of TLC–MS techniques used for indirect and direct characterization of analytes on the surfaces of TLC plates.\n
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\n \n\n \n \n \n \n \n Analytical methods for the quantification of volatile aromatic compounds.\n \n \n \n\n\n \n Biniecka, M.; and Caroli, S.\n\n\n \n\n\n\n TrAC Trends in Analytical Chemistry, 30(11): 1756–1770. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{biniecka_analytical_2011,\n\ttitle = {Analytical methods for the quantification of volatile aromatic compounds},\n\tvolume = {30},\n\tabstract = {The investigation of odorants is not an easy task, which needs to be undertaken in the context of fit-for-purpose quality systems. To date, great attention has been paid to determination of the volatile fractions of odorants, since they are responsible for the attributes of global flavor [i.e. a combination of olfactory (aroma) and gustatory (taste) sensations produced by chemicals]. This kind of determination can be carried out by analytical techniques [e.g., gas chromatography (GC) combined with mass spectrometry and/or olfactometric GC]. Methods complementary to GC analysis are available, allowing assessment of the olfactory impact by an electronic nose (e-nose) or a panel of selected individuals. Also, we consider some innovative analytical techniques to study the effects of odorants in food during consumption.},\n\tnumber = {11},\n\tjournal = {TrAC Trends in Analytical Chemistry},\n\tauthor = {Biniecka, Małgorzata and Caroli, Sergio},\n\tyear = {2011},\n\tkeywords = {Analytical method; Electronic nose; Food odorant; Gas chromatography; Mass spectrometry; Odorant; Odorant determination; Olfactometric gas chromatography; Volatile aromatic compound},\n\tpages = {1756--1770},\n}\n\n\n\n
\n
\n\n\n
\n The investigation of odorants is not an easy task, which needs to be undertaken in the context of fit-for-purpose quality systems. To date, great attention has been paid to determination of the volatile fractions of odorants, since they are responsible for the attributes of global flavor [i.e. a combination of olfactory (aroma) and gustatory (taste) sensations produced by chemicals]. This kind of determination can be carried out by analytical techniques [e.g., gas chromatography (GC) combined with mass spectrometry and/or olfactometric GC]. Methods complementary to GC analysis are available, allowing assessment of the olfactory impact by an electronic nose (e-nose) or a panel of selected individuals. Also, we consider some innovative analytical techniques to study the effects of odorants in food during consumption.\n
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\n \n\n \n \n \n \n \n Direct Identification of Dyes in Textiles by Direct Analysis in Real Time-Time of Flight Mass Spectrometry.\n \n \n \n\n\n \n Deroo, C. S.; and Armitage, R. A.\n\n\n \n\n\n\n Analytical Chemistry, 83(18): 6924–6928. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{deroo_direct_2011,\n\ttitle = {Direct {Identification} of {Dyes} in {Textiles} by {Direct} {Analysis} in {Real} {Time}-{Time} of {Flight} {Mass} {Spectrometry}},\n\tvolume = {83},\n\tdoi = {10.1021/ac201747s},\n\tabstract = {We present here a method requiring no sample preparation for direct identification of the organic dye compounds quercetin, indigotin, and alizarin in reference materials, in solution, and also in situ in dyed fibers by use of direct analysis in real time (DART) ionization and high-resolution time-of-flight mass spectrometry. Exact mass determinations on small samples of dyed textiles were completed in less than 1 min. With the ability to identify flavonoid, indigoid, and anthraquinone classes of dyes, this technique shows early promise as an additional analytical tool in the challenging analysis of organic dyes in rare cultural heritage materials and possesses the unique advantages of sensitivity and simplicity without the preparatory procedures required by other methods.},\n\tnumber = {18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Deroo, Cathy Selvius and Armitage, Ruth Ann},\n\tyear = {2011},\n\tkeywords = {AccuTOF},\n\tpages = {6924--6928},\n}\n\n\n\n
\n
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\n We present here a method requiring no sample preparation for direct identification of the organic dye compounds quercetin, indigotin, and alizarin in reference materials, in solution, and also in situ in dyed fibers by use of direct analysis in real time (DART) ionization and high-resolution time-of-flight mass spectrometry. Exact mass determinations on small samples of dyed textiles were completed in less than 1 min. With the ability to identify flavonoid, indigoid, and anthraquinone classes of dyes, this technique shows early promise as an additional analytical tool in the challenging analysis of organic dyes in rare cultural heritage materials and possesses the unique advantages of sensitivity and simplicity without the preparatory procedures required by other methods.\n
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\n \n\n \n \n \n \n \n Utilizing DART Mass Spectrometry to Pinpoint Halogenated Metabolites from a Marine Invertebrate-Derived Fungus.\n \n \n \n\n\n \n Watts, K. R.; Loveridge, S. T.; Tenney, K.; Media, J.; Valeriote, F. A.; and Crews, P.\n\n\n \n\n\n\n Journal of Organic Chemistry, 76(15): 6201–6208. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{watts_utilizing_2011,\n\ttitle = {Utilizing {DART} {Mass} {Spectrometry} to {Pinpoint} {Halogenated} {Metabolites} from a {Marine} {Invertebrate}-{Derived} {Fungus}},\n\tvolume = {76},\n\tabstract = {Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using Direct Analysis in\nReal Time (DART) Mass Spectrometry, these compounds were initially detected from spores of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogs, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.},\n\tnumber = {15},\n\tjournal = {Journal of Organic Chemistry},\n\tauthor = {Watts, Katharine R. and Loveridge, Steven T. and Tenney, Karen and Media, Joseph and Valeriote, Frederick A. and Crews, Phillip},\n\tyear = {2011},\n\tpages = {6201--6208},\n}\n\n\n\n
\n
\n\n\n
\n Prenylated indole alkaloids are a diverse group of fungal secondary metabolites and represent an important biosynthetic class. In this study we have identified new halogenated prenyl-indole alkaloids from an invertebrate-derived Malbranchea graminicola strain. Using Direct Analysis in Real Time (DART) Mass Spectrometry, these compounds were initially detected from spores of the fungus grown on agar plates, without the need for any organic extraction. Subsequently, the metabolites were isolated from liquid culture in artificial seawater. The structures of two novel chlorinated metabolites, named (-)-spiromalbramide and (+)-isomalbrancheamide B, provide additional insights into the assembly of the malbrancheamide compound family. Remarkably, two new brominated analogs, (+)-malbrancheamide C and (+)-isomalbrancheamide C, were produced by enriching the growth medium with bromine salts.\n
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\n \n\n \n \n \n \n \n Structural Elucidation of Direct Analysis in Real Time Ionized Nerve Agent Simulants with Infrared Multiple Photon Dissociation Spectroscopy.\n \n \n \n\n\n \n Rummel, J. L.; Steill, J. D.; Oomens, J.; Contreras, C. S.; Pearson, W. L.; Szczepanski, J.; Powell, D. H.; and Eyler, J. R.\n\n\n \n\n\n\n Analytical Chemistry, 83(11): 4045–4052. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{rummel_structural_2011,\n\ttitle = {Structural {Elucidation} of {Direct} {Analysis} in {Real} {Time} {Ionized} {Nerve} {Agent} {Simulants} with {Infrared} {Multiple} {Photon} {Dissociation} {Spectroscopy}},\n\tvolume = {83},\n\tdoi = {10.1021/ac102973a},\n\tabstract = {Infrared multiple photon dissociation (IRMPD) was used to generate vibrational spectra of ions produced with a direct analysis in real time (DART) ionization source coupled to a 4.7 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The location of protonation on the nerve agent simulants diisopropyl methylphosphonate (DIMP) and dimethyl methylphosphonate (DMMP) was studied while solutions of the compounds were introduced for extended periods of time with a syringe pump. Theoretical vibrational spectra were generated with density functional theory calculations. Visual comparison of experimental mid-IR IRMPD spectra and theoretical spectra could not establish definitively if a single structure or a mixture of conformations was present for the protonated parent of each compound. However, theoretical calculations, near-ir IRMPD spectra, and frequency-to-frequency and statistical comparisons indicated that the protonation site for both DIMP and DMMP was predominantly, if not exclusively, the phosphonyl oxygen instead of one of the oxygen atoms with only single bonds.},\n\tnumber = {11},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Rummel, Julia L. and Steill, Jeffrey D. and Oomens, Jos and Contreras, Cesar S. and Pearson, Wright L. and Szczepanski, Jan and Powell, David H. and Eyler, John R.},\n\tyear = {2011},\n\tkeywords = {DART, FT-ICR, nerve agents},\n\tpages = {4045--4052},\n}\n\n\n\n
\n
\n\n\n
\n Infrared multiple photon dissociation (IRMPD) was used to generate vibrational spectra of ions produced with a direct analysis in real time (DART) ionization source coupled to a 4.7 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The location of protonation on the nerve agent simulants diisopropyl methylphosphonate (DIMP) and dimethyl methylphosphonate (DMMP) was studied while solutions of the compounds were introduced for extended periods of time with a syringe pump. Theoretical vibrational spectra were generated with density functional theory calculations. Visual comparison of experimental mid-IR IRMPD spectra and theoretical spectra could not establish definitively if a single structure or a mixture of conformations was present for the protonated parent of each compound. However, theoretical calculations, near-ir IRMPD spectra, and frequency-to-frequency and statistical comparisons indicated that the protonation site for both DIMP and DMMP was predominantly, if not exclusively, the phosphonyl oxygen instead of one of the oxygen atoms with only single bonds.\n
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\n \n\n \n \n \n \n \n Comparison of dielectric barrier discharge, atmospheric pressure radiofrequency-driven glow discharge and direct analysis in real time sources for ambient mass spectrometry of acetaminophen.\n \n \n \n\n\n \n Kratzera, J.; Mester, Z.; and Sturgeon, R. E.\n\n\n \n\n\n\n Spectrochimica Acta Part B: Atomic Spectroscopy, 66(8): 594–603. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kratzera_comparison_2011,\n\ttitle = {Comparison of dielectric barrier discharge, atmospheric pressure radiofrequency-driven glow discharge and direct analysis in real time sources for ambient mass spectrometry of acetaminophen},\n\tvolume = {66},\n\tabstract = {Three plasma-based ambient pressure ion sources were investigated; laboratory constructed dielectric barrier and rf glow discharges, as well as a commercial corona discharge (DART source). All were used to desorb and ionize a model analyte, providing sampling techniques for ambient mass spectrometry (MS). Experimental parameters were optimized to achive highest signal for acetaminophen as the analyte. Insight into the mechanisms of analyte desorption and ionization was obtained by means of emission spectrometry and ion current measurements. Desorption and ionization mechanisms for this analyte appear to be identical for all three plasma sources. Emission spectra differ only in the intensities of various lines and bands. Desorption of solid analyte requires transfer of thermal energy from the plasma source to sample surface, in the absence of which complete loss of MS response occurs. For acetaminophen, helium was the best plasma gas, providing 100- to 1000-fold higher analyte response than with argon or nitrogen. The same trend was also evident with background ions (protonated water clusters). MS analyte signal intensity correlates with the ion density (expressed as ion current) in the plasma plume and with emission intensity from excited state species in the plasma. These observations support an ionization process which occurs via proton transfer from protonated water clusters to analyte molecules.},\n\tnumber = {8},\n\tjournal = {Spectrochimica Acta Part B: Atomic Spectroscopy},\n\tauthor = {Kratzera, Jan and Mester, Zoltán and Sturgeon, Ralph E.},\n\tyear = {2011},\n\tkeywords = {Direct analysis in real time (DART); Dielectric barrier discharge (DBD); Atmospheric pressure rf glow discharge (APGD); Ambient mass spectrometry (AMS); Acetaminophen},\n\tpages = {594--603},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Three plasma-based ambient pressure ion sources were investigated; laboratory constructed dielectric barrier and rf glow discharges, as well as a commercial corona discharge (DART source). All were used to desorb and ionize a model analyte, providing sampling techniques for ambient mass spectrometry (MS). Experimental parameters were optimized to achive highest signal for acetaminophen as the analyte. Insight into the mechanisms of analyte desorption and ionization was obtained by means of emission spectrometry and ion current measurements. Desorption and ionization mechanisms for this analyte appear to be identical for all three plasma sources. Emission spectra differ only in the intensities of various lines and bands. Desorption of solid analyte requires transfer of thermal energy from the plasma source to sample surface, in the absence of which complete loss of MS response occurs. For acetaminophen, helium was the best plasma gas, providing 100- to 1000-fold higher analyte response than with argon or nitrogen. The same trend was also evident with background ions (protonated water clusters). MS analyte signal intensity correlates with the ion density (expressed as ion current) in the plasma plume and with emission intensity from excited state species in the plasma. These observations support an ionization process which occurs via proton transfer from protonated water clusters to analyte molecules.\n
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\n \n\n \n \n \n \n \n \n Detection of illicit drugs on surfaces using direct analysis in real time (DART) time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Grange, A. H.; and Sovocool, G. W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 25(9): 1271–1281. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{grange_detection_2011,\n\ttitle = {Detection of illicit drugs on surfaces using direct analysis in real time ({DART}) time-of-flight mass spectrometry},\n\tvolume = {25},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.5009},\n\tdoi = {10.1002/rcm.5009},\n\tabstract = {Methamphetamine (meth) from meth syntheses or habitual meth smoking deposited on household surfaces poses human health hazards. The U.S. State Departments of Health require decontamination of sites where meth was synthesized (meth labs) before they are sold. National Institute for Occupational Safety and Health (NIOSH) methods for meth analysis require wipe sampling, extraction, clean-up, solvent exchange, derivatization, and/or mass spectral analysis using selected ion monitoring. Rapid and inexpensive analyses could screen for drug-contamination within structures with greater spatial resolution, provide real-time analyses during decontamination, and provide thorough documentation of successful clean ups. Herein an autosampler/open-air ion source time-of-flight mass spectrometric technique is described that required only direct sampling using cotton-swab wipes. Each wipe sample collection required 2 min and data acquisition required only 13 s per sample. Optimum collision-induced dissociation voltages, desorption gas temperatures, and wipe sample solvents were determined for 11 drugs. Peaks were observed in analyte-ion traces for 0.025 µg/100 cm2 of meth and seven other drugs. This level is half the detection limit of NIOSH methods and one-fourth of the lowest U.S. state decontamination limit for meth. Dynamic ranges of 100 in concentration were demonstrated for eight drugs, which is sufficient for a screening technique. The volatilities of 11 drugs deposited on glass were determined. The pick up of the drugs by solvent-soaked cotton-swab wipes from glass relative to acrylic latex paint was also compared. Published in 2011 by John Wiley \\& Sons, Ltd.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H. and Sovocool, G. Wayne},\n\tyear = {2011},\n\tpages = {1271--1281},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Methamphetamine (meth) from meth syntheses or habitual meth smoking deposited on household surfaces poses human health hazards. The U.S. State Departments of Health require decontamination of sites where meth was synthesized (meth labs) before they are sold. National Institute for Occupational Safety and Health (NIOSH) methods for meth analysis require wipe sampling, extraction, clean-up, solvent exchange, derivatization, and/or mass spectral analysis using selected ion monitoring. Rapid and inexpensive analyses could screen for drug-contamination within structures with greater spatial resolution, provide real-time analyses during decontamination, and provide thorough documentation of successful clean ups. Herein an autosampler/open-air ion source time-of-flight mass spectrometric technique is described that required only direct sampling using cotton-swab wipes. Each wipe sample collection required 2 min and data acquisition required only 13 s per sample. Optimum collision-induced dissociation voltages, desorption gas temperatures, and wipe sample solvents were determined for 11 drugs. Peaks were observed in analyte-ion traces for 0.025 µg/100 cm2 of meth and seven other drugs. This level is half the detection limit of NIOSH methods and one-fourth of the lowest U.S. state decontamination limit for meth. Dynamic ranges of 100 in concentration were demonstrated for eight drugs, which is sufficient for a screening technique. The volatilities of 11 drugs deposited on glass were determined. The pick up of the drugs by solvent-soaked cotton-swab wipes from glass relative to acrylic latex paint was also compared. Published in 2011 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Current mass spectrometry strategies for the analysis of pesticides and their metabolites in food and water matrices.\n \n \n \n \n\n\n \n Botitsi, H. V.; Garbis, S. D.; Economou, A.; and Tsipi, D. F.\n\n\n \n\n\n\n Mass Spectrometry Reviews, 30(5): 907–939. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"CurrentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{botitsi_current_2011,\n\ttitle = {Current mass spectrometry strategies for the analysis of pesticides and their metabolites in food and water matrices},\n\tvolume = {30},\n\tissn = {1098-2787},\n\turl = {http://dx.doi.org/10.1002/mas.20307},\n\tdoi = {10.1002/mas.20307},\n\tabstract = {Analysis of pesticides and their metabolites in food and water matrices continues to be an active research area closely related to food safety and environmental issues. This review discusses the most widely applied mass spectrometric (MS) approaches to pesticide residues analysis over the last few years. The main techniques for sample preparation remain solvent extraction and solid-phase extraction. The QuEChERS (Quick, Easy, Cheap, Effective, Rugged, Safe) approach is being increasingly used for the development of multi-class pesticide residues methods in various sample matrices. MS detectors—triple quadrupole (QqQ), ion-trap (IT), quadrupole linear ion trap (QqLIT), time-of-flight (TOF), and quadrupole time-of-flight (QqTOF)—have been established as powerful analytical tools sharing a primary role in the detection/quantification and/or identification/confirmation of pesticides and their metabolites. Recent developments in analytical instrumentation have enabled coupling of ultra-performance liquid chromatography (UPLC) and fast gas chromatography (GC) with MS detectors, and faster analysis for a greater number of pesticides. The newly developed “ambient-ionization” MS techniques (e.g., desorption electrospray ionization, DESI, and direct analysis in real time, DART) hyphenated with high-resolution MS platforms without liquid chromatography separation, and sometimes with minimum pre-treatment, have shown potential for pesticide residue screening. The recently introduced Orbitrap mass spectrometers can provide high resolving power and mass accuracy, to tackle complex analytical problems involved in pesticide residue analysis. © 2010 Wiley Periodicals, Inc., Mass Spec Rev 30:907–939, 2011},\n\tnumber = {5},\n\tjournal = {Mass Spectrometry Reviews},\n\tauthor = {Botitsi, Helen V. and Garbis, Spiros D. and Economou, Anastasios and Tsipi, Despina F.},\n\tyear = {2011},\n\tkeywords = {food and water, liquid and gas chromatography, mass spectrometry, pesticides},\n\tpages = {907--939},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Analysis of pesticides and their metabolites in food and water matrices continues to be an active research area closely related to food safety and environmental issues. This review discusses the most widely applied mass spectrometric (MS) approaches to pesticide residues analysis over the last few years. The main techniques for sample preparation remain solvent extraction and solid-phase extraction. The QuEChERS (Quick, Easy, Cheap, Effective, Rugged, Safe) approach is being increasingly used for the development of multi-class pesticide residues methods in various sample matrices. MS detectors—triple quadrupole (QqQ), ion-trap (IT), quadrupole linear ion trap (QqLIT), time-of-flight (TOF), and quadrupole time-of-flight (QqTOF)—have been established as powerful analytical tools sharing a primary role in the detection/quantification and/or identification/confirmation of pesticides and their metabolites. Recent developments in analytical instrumentation have enabled coupling of ultra-performance liquid chromatography (UPLC) and fast gas chromatography (GC) with MS detectors, and faster analysis for a greater number of pesticides. The newly developed “ambient-ionization” MS techniques (e.g., desorption electrospray ionization, DESI, and direct analysis in real time, DART) hyphenated with high-resolution MS platforms without liquid chromatography separation, and sometimes with minimum pre-treatment, have shown potential for pesticide residue screening. The recently introduced Orbitrap mass spectrometers can provide high resolving power and mass accuracy, to tackle complex analytical problems involved in pesticide residue analysis. © 2010 Wiley Periodicals, Inc., Mass Spec Rev 30:907–939, 2011\n
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\n \n\n \n \n \n \n \n \n Microwave-Assisted Solution-Phase Synthesis and DART-Mass Spectrometric Monitoring of a Combinatorial Library of Indolin-2,3-dione Schiff Bases with Potential Antimycobacterial Activity.\n \n \n \n \n\n\n \n Aboul-Fadl, T.; Abdel-Aziz, H. A; Kadi, A.; Ahmad, P.; Elsaman, T.; Attwa, M. W; and Darwish, I. A\n\n\n \n\n\n\n Molecules, 16(6): 5194–5206. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"Microwave-AssistedPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{aboul-fadl_microwave-assisted_2011,\n\ttitle = {Microwave-{Assisted} {Solution}-{Phase} {Synthesis} and {DART}-{Mass} {Spectrometric} {Monitoring} of a {Combinatorial} {Library} of {Indolin}-2,3-dione {Schiff} {Bases} with {Potential} {Antimycobacterial} {Activity}},\n\tvolume = {16},\n\turl = {http://www.mdpi.com/1420-3049/16/6/5194/},\n\tabstract = {A combinatorial library composed of eleven hydrazides A-K and eleven indolin-1,2-dione derivatives 1-11 has been designed to formally generate sublibraries of 22 mixtures, M1-M22 comprising of 121 Schiff bases, A-K(1-11). The designed library has been synthesized by the solution-phase method and microwave-assisted synthetic techniques. The formation of individual compounds of each mixture was confirmed by Direct Analysis in Real Time (DART) as ionization technique connected to an Ion Trap as a mass detector. The synthesized mixtures were evaluated for their antimycobacterial activity against four Mycobacterium strains; M. intercellulari, M. xenopi, M. cheleneoi and M. smegmatis. Variable antimycobacterial activity was revealed with the investigated mixtures and maximum activity was shown by M8, M10, M11, and M15 with MIC values of 1.5, 3.1, 6.2 and 0.09 μg/mL, respectively. Application of the indexed method of analysis on these active mixtures revealed that compounds D8, D10 and D11 may contribute to the activity of the tested mixtures.},\n\tnumber = {6},\n\tjournal = {Molecules},\n\tauthor = {Aboul-Fadl, Tarek and Abdel-Aziz, Hatem A and Kadi, Adnan and Ahmad, Pervez and Elsaman, Tilal and Attwa, Mohamed W and Darwish, Ibrahim A},\n\tyear = {2011},\n\tpages = {5194--5206},\n}\n\n\n\n
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\n A combinatorial library composed of eleven hydrazides A-K and eleven indolin-1,2-dione derivatives 1-11 has been designed to formally generate sublibraries of 22 mixtures, M1-M22 comprising of 121 Schiff bases, A-K(1-11). The designed library has been synthesized by the solution-phase method and microwave-assisted synthetic techniques. The formation of individual compounds of each mixture was confirmed by Direct Analysis in Real Time (DART) as ionization technique connected to an Ion Trap as a mass detector. The synthesized mixtures were evaluated for their antimycobacterial activity against four Mycobacterium strains; M. intercellulari, M. xenopi, M. cheleneoi and M. smegmatis. Variable antimycobacterial activity was revealed with the investigated mixtures and maximum activity was shown by M8, M10, M11, and M15 with MIC values of 1.5, 3.1, 6.2 and 0.09 μg/mL, respectively. Application of the indexed method of analysis on these active mixtures revealed that compounds D8, D10 and D11 may contribute to the activity of the tested mixtures.\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time coupled with dried spot sampling for bioanalysis in a drug-discovery setting.\n \n \n \n \n\n\n \n Crawford, E.; Gordon, J.; Wu, J.; Musselman, B.; Liu, R.; and Yu, S.\n\n\n \n\n\n\n Bioanalysis, 3(11): 1217–1226. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{crawford_direct_2011,\n\ttitle = {Direct analysis in real time coupled with dried spot sampling for bioanalysis in a drug-discovery setting},\n\tvolume = {3},\n\tissn = {1757-6180},\n\turl = {http://dx.doi.org/10.4155/bio.11.99},\n\tdoi = {10.4155/bio.11.99},\n\tabstract = {Background: Conventional mouse or rat pharmacokinetic/toxicokinetic (PK/TK) studies frequently require sacrifice or use of multiple animals for a full time-course in order to obtain adequate blood volume. Currently accepted LC–MS/MS analyses require tedious sample preparation and large blood volume, therefore, a bioanalytical method with a simpler blood-sampling procedure using fewer animals, lower sample volume and no additional sample preparation is desirable. Results: We have developed a method that combines the direct analysis in real time (DART) open-air ambient ionization source and MS/MS to directly analyze dried blood spots (DBS) on glass from low volume whole blood samples without additional sample preparation or manipulation of the spots. Single mouse serial bleeding was performed for sample collection for DART-MS/MS and the results were comparable to the conventional terminal bleeding method for LC–MS/MS. Conclusion: The DART-MS/MS method was applied to DBS sampling for PK/TK studies and also for in vitro screening of absorption, distribution, metabolism and excretion properties. The results from the DART-MS/MS approach correlated well with the LC–MS/MS analyses for comparison.},\n\tnumber = {11},\n\tjournal = {Bioanalysis},\n\tauthor = {Crawford, Elizabeth and Gordon, Justin and Wu, Jing-Tao and Musselman, Brian and Liu, Ray and Yu, Shaoxia},\n\tyear = {2011},\n\tpages = {1217--1226},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Background: Conventional mouse or rat pharmacokinetic/toxicokinetic (PK/TK) studies frequently require sacrifice or use of multiple animals for a full time-course in order to obtain adequate blood volume. Currently accepted LC–MS/MS analyses require tedious sample preparation and large blood volume, therefore, a bioanalytical method with a simpler blood-sampling procedure using fewer animals, lower sample volume and no additional sample preparation is desirable. Results: We have developed a method that combines the direct analysis in real time (DART) open-air ambient ionization source and MS/MS to directly analyze dried blood spots (DBS) on glass from low volume whole blood samples without additional sample preparation or manipulation of the spots. Single mouse serial bleeding was performed for sample collection for DART-MS/MS and the results were comparable to the conventional terminal bleeding method for LC–MS/MS. Conclusion: The DART-MS/MS method was applied to DBS sampling for PK/TK studies and also for in vitro screening of absorption, distribution, metabolism and excretion properties. The results from the DART-MS/MS approach correlated well with the LC–MS/MS analyses for comparison.\n
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\n \n\n \n \n \n \n \n \n Rapid screening for synthetic antidiabetic drug adulteration in herbal dietary supplements using direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Zhou, Z.; Zhang, J.; Zhang, W.; Bai, Y.; and Liu, H.\n\n\n \n\n\n\n Analyst, 136(12): 2613–2618. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{zhou_rapid_2011,\n\ttitle = {Rapid screening for synthetic antidiabetic drug adulteration in herbal dietary supplements using direct analysis in real time mass spectrometry},\n\tvolume = {136},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/C0AN01047B},\n\tabstract = {Adulteration of herbal supplements with synthetic drugs is illegal. A rapid and reliable method which utilizes direct analysis in real time mass spectrometry (DART-MS) was developed for the identification of seven synthetic antidiabetic drugs used as adulterants in herbal dietary supplements. The supplement sample was simply extracted with methanol/water by manually shaking several times and directly analyzed using DART-MS. The presence of synthetic drug adulterants was confirmed through the accurate m/z values and MS/MS data obtained via quadruple time of flight mass spectrometry (QTOF MS). Parameters for the DART source were systematically optimized, and the limits of detection (LODs) in herbal supplement matrices were measured. This method was successfully applied to examine five commercial herbal dietary supplements, and two of them proved to be adulterated with metformin without labeling.},\n\tnumber = {12},\n\tjournal = {Analyst},\n\tauthor = {Zhou, Zhigui and Zhang, Jialing and Zhang, Wei and Bai, Yu and Liu, Huwei},\n\tyear = {2011},\n\tpages = {2613--2618},\n}\n\n\n\n\n\n\n\n
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\n Adulteration of herbal supplements with synthetic drugs is illegal. A rapid and reliable method which utilizes direct analysis in real time mass spectrometry (DART-MS) was developed for the identification of seven synthetic antidiabetic drugs used as adulterants in herbal dietary supplements. The supplement sample was simply extracted with methanol/water by manually shaking several times and directly analyzed using DART-MS. The presence of synthetic drug adulterants was confirmed through the accurate m/z values and MS/MS data obtained via quadruple time of flight mass spectrometry (QTOF MS). Parameters for the DART source were systematically optimized, and the limits of detection (LODs) in herbal supplement matrices were measured. This method was successfully applied to examine five commercial herbal dietary supplements, and two of them proved to be adulterated with metformin without labeling.\n
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\n \n\n \n \n \n \n \n Study on rapid and direct analysis of illegally added six PDE5 inhibitors in health food by DART-MS/MS method.\n \n \n \n\n\n \n CHENG, Xian-lon; LI ,Wen-jie; LI, Wei-jian; XIAO, X.; LIN, R.; and WEI, F.\n\n\n \n\n\n\n Chinese Journal of Pharmaceutical Analysis, 31: 438–442. 2011.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{cheng_xian-lon_study_2011,\n\ttitle = {Study on rapid and direct analysis of illegally added six {PDE5} inhibitors in health food by {DART}-{MS}/{MS} method},\n\tvolume = {31},\n\tdoi = {CNKI:SUN:YWFX.0.2011-03-005},\n\tabstract = {To develop a directed analysis of 6 phosphodiesterase 5(PDE5)inhibitors:sildenafil,tadalafil,acetildenafil,hydroxyhomosildenafil,aminotadalafil,pseudo-vardenfil in health food.Methods:Triple quadrupol MS with DART ion souce was used to perform the direct analysis.The DART sampler delivery rate was 0.2 mm·s-1.The temperature of carry gas of DART was 450 ℃.The capillary voltage was kept at 4 kV.The temperature of the drying gas of triple quadrupol MS was set at 350 ℃.The flow rate of the drying gas of triple quadrupol MS was set at 10 L·min-1,respectively.Product ion scan mode was used with scan range from 50-550 amu.The precursor ions were set as m/z 475.1(sildenafil),m/z 467.2(acetildenafil),m/z 505.1(hydroxyhomosildenafil),m/z 390.1(tadalafil),m/z 391.2(aminotadalafil),m/z 460.3(pseudo-vardenfil).The identification was performed by comparing the mass spectrum of detected peak in samples with the mass spectrum of peak in reference substance.Results:The limit of detection for each of 6 PDE5 inhibitors was under 1 μg·g-1.Sildenafil was detected in 6 samples,and tadalafil was detected in 1 sample.Conclusion:The method is employed to simultaneous detection of 6 PDE5 inhibitors in health food.},\n\tjournal = {Chinese Journal of Pharmaceutical Analysis},\n\tauthor = {{CHENG, Xian-lon} and {LI ,Wen-jie} and {LI, Wei-jian} and XIAO, Xin-yue and LIN, Rui-chao and WEI, Feng},\n\tyear = {2011},\n\tpages = {438--442},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n To develop a directed analysis of 6 phosphodiesterase 5(PDE5)inhibitors:sildenafil,tadalafil,acetildenafil,hydroxyhomosildenafil,aminotadalafil,pseudo-vardenfil in health food.Methods:Triple quadrupol MS with DART ion souce was used to perform the direct analysis.The DART sampler delivery rate was 0.2 mm·s-1.The temperature of carry gas of DART was 450 ℃.The capillary voltage was kept at 4 kV.The temperature of the drying gas of triple quadrupol MS was set at 350 ℃.The flow rate of the drying gas of triple quadrupol MS was set at 10 L·min-1,respectively.Product ion scan mode was used with scan range from 50-550 amu.The precursor ions were set as m/z 475.1(sildenafil),m/z 467.2(acetildenafil),m/z 505.1(hydroxyhomosildenafil),m/z 390.1(tadalafil),m/z 391.2(aminotadalafil),m/z 460.3(pseudo-vardenfil).The identification was performed by comparing the mass spectrum of detected peak in samples with the mass spectrum of peak in reference substance.Results:The limit of detection for each of 6 PDE5 inhibitors was under 1 μg·g-1.Sildenafil was detected in 6 samples,and tadalafil was detected in 1 sample.Conclusion:The method is employed to simultaneous detection of 6 PDE5 inhibitors in health food.\n
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\n \n\n \n \n \n \n \n \n Direct analysis of dithiocarbamate fungicides in fruit by ambient mass spectrometry.\n \n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Zomer, P.; Mol, H.; and Hajslova, J.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 28(10): 1372–1382. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{cajka_direct_2011,\n\ttitle = {Direct analysis of dithiocarbamate fungicides in fruit by ambient mass spectrometry},\n\tvolume = {28},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2011.590456},\n\tdoi = {10.1080/19440049.2011.590456},\n\tabstract = {Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.\nDithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.},\n\tnumber = {10},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Cajka, Tomas and Riddellova, Katerina and Zomer, Paul and Mol, Hans and Hajslova, Jana},\n\tyear = {2011},\n\tpages = {1372--1382},\n}\n\n\n\n\n\n\n\n
\n
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\n Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained. Dithiocarbamates (DTCs) are fungicides that require a specific single-residue method for detection and verification of compliance with maximum residue limits (MRLs) as established for fruit and vegetables in the EU. In this study, the use of ambient mass spectrometry was investigated for specific determination of individual DTCs (thiram, ziram) in fruit. Two complementary approaches have been investigated for their rapid analysis: (i) direct analysis in real time (DART) combined with medium-high resolution/accurate mass time-of-flight mass spectrometry (TOFMS) and high-resolution/accurate mass Orbitrap MS, and (ii) desorption electrospray ionization (DESI) combined with tandem-in-time mass spectrometry (MS2). With both techniques, thiram deposited on a glass surface (DART) or Teflon (DESI) could be directly detected. With DART, this was also possible for ziram. Before the instrumental analysis of fruit matrix, an extract had to be prepared following a straightforward procedure. The raw extracts were deposited on a slide (DESI), or rods were dipped into the extracts (DART), after which thiram and ziram could be rapidly detected (typically 10 samples in a few minutes). In the case of thiram, the lowest calibration levels were 1?mg?kg?1 (DART?TOFMS, DESI?MS2) and 0.1?mg?kg?1 (DART?Orbitrap MS). For ziram, the achieved lowest calibration levels were 0.5?mg?kg?1 (DART?TOFMS) and 1?mg?kg?1 (DART?Orbitrap MS). In all cases, this was sufficiently low to test samples against EU-MRLs for a number of fruit crops. Using an internal standard, (semi)quantitative results could be obtained.\n
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\n \n\n \n \n \n \n \n \n Practical considerations for the rapid screening for pesticides using ambient pressure desorption ionisation with high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Edison, S.; Lin, L.; and Parrales, L.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 28(10): 1393–1404. 2011.\n \n\n\n\n
\n\n\n\n \n \n \"PracticalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{edison_practical_2011,\n\ttitle = {Practical considerations for the rapid screening for pesticides using ambient pressure desorption ionisation with high-resolution mass spectrometry},\n\tvolume = {28},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/19440049.2011.596165},\n\tdoi = {10.1080/19440049.2011.596165},\n\tabstract = {A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80\\% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.\nA rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80\\% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.},\n\tnumber = {10},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Edison, S.E. and Lin, L.A. and Parrales, L.},\n\tyear = {2011},\n\tpages = {1393--1404},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode. A rapid screening method for pesticides has been developed to streamline the processing of produce entering the United States. Foam swabs were used to recover multi-class mixtures of 240, 140, 132 and 60 pesticides from the surfaces of apples, kiwis, peaches and tomatoes. The mixtures were selected to span a large range of chemical classes, polarities, solubilities and sizes to provide a broad look at how this technique will perform for a variety of analytes. The swabs were analysed using direct analysis in real-time (DART) ionisation coupled with a high-resolution Exactive Orbitrap? mass spectrometer. This study expands the types of commodities analysed using this method and explores the feasibility of compositing multiple units of produce per batch to analyse a representative sample. It was established that whilst smooth-skinned produce, such as apples, maintained a high detection rate for the pesticide mixtures even when ten apples are swabbed with one foam disk, commodities with rougher surfaces, such as peaches, suffered a decrease in detection rate when ten peaches are swabbed with one foam disk. In order to maintain some consistency across the sample preparation process, a composite size of three units was selected. The varying topography of the commodities necessitated minor modifications to the method; for example, analysis of kiwi required that the hair on the surface be shaved prior to swabbing to achieve good recovery. Additionally, the effect of storage conditions on detection rate was analysed by spiking the surface of tomatoes at levels of 5 and 10?ng?g?1 for each pesticide, storing them under refrigeration and ambient conditions for 3 and 8 days, and then analysing the surface using this method. After 8 days of storage under both conditions more than 80% of the pesticides in the mixture were detected. Also, analysis of the multi-class mixtures was performed in both positive- and negative-ion mode and many classes were detected in both modes. Some classes, such thiocarbamates, phenylamides and organochlorine pesticides, were only observed in the positive-ion mode, whilst benzoylphenylurea pesticides were only detected in the negative-ion mode.\n
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\n  \n 2010\n \n \n (328)\n \n \n
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\n \n\n \n \n \n \n \n \n Molecular Analysis of Primary Vapor and Char Products during Stepwise Pyrolysis of Poplar Biomass.\n \n \n \n \n\n\n \n Jones, R. W.; Reinot, T.; and McClelland, J. F.\n\n\n \n\n\n\n Energy & Fuels, 24(9): 5199–5209. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"MolecularPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{jones_molecular_2010,\n\ttitle = {Molecular {Analysis} of {Primary} {Vapor} and {Char} {Products} during {Stepwise} {Pyrolysis} of {Poplar} {Biomass}},\n\tvolume = {24},\n\turl = {http://dx.doi.org/10.1021/ef100655n},\n\tdoi = {10.1021/ef100655n},\n\tabstract = {Pyrolysis of biomass produces both pyrolysis oil and solid char. In this study, poplar has been pyrolyzed in a stepwise fashion over a series of temperatures from 200 to 500 °C, and both the primary products contributing to pyrolysis oil and the changes in the pyrolyzing poplar surface leading toward char have been characterized at each step. The primary products were identified by direct analysis in real time (DART) mass spectrometry, and the changes in the poplar surface were monitored using Fourier transform infrared (FTIR) photoacoustic spectroscopy, with a sampling depth of a few micrometers. The primary products from pyrolyzing cellulose, xylan, and lignin under similar conditions were also characterized to identify the sources of the poplar products.},\n\tnumber = {9},\n\tjournal = {Energy \\& Fuels},\n\tauthor = {Jones, Roger W. and Reinot, Tonu and McClelland, John F.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {5199--5209},\n}\n\n\n\n
\n
\n\n\n
\n Pyrolysis of biomass produces both pyrolysis oil and solid char. In this study, poplar has been pyrolyzed in a stepwise fashion over a series of temperatures from 200 to 500 °C, and both the primary products contributing to pyrolysis oil and the changes in the pyrolyzing poplar surface leading toward char have been characterized at each step. The primary products were identified by direct analysis in real time (DART) mass spectrometry, and the changes in the poplar surface were monitored using Fourier transform infrared (FTIR) photoacoustic spectroscopy, with a sampling depth of a few micrometers. The primary products from pyrolyzing cellulose, xylan, and lignin under similar conditions were also characterized to identify the sources of the poplar products.\n
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\n \n\n \n \n \n \n \n Capabilities of direct analysis in real time mass spectrometry and gas chromatography-mass spectrometry in the mint oil test.\n \n \n \n\n\n \n Chernetsova, E. S.; Khomyakov, Y. Y.; Goryainov, S. V.; Ovcharov, M. V.; Bochkov, P. O.; Zatonsky, G. V.; Zhokhov, S. S.; and Abramovich, R. A.\n\n\n \n\n\n\n Mendeleev Communications, 20(5): 299–300. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_capabilities_2010,\n\ttitle = {Capabilities of direct analysis in real time mass spectrometry and gas chromatography-mass spectrometry in the mint oil test},\n\tvolume = {20},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry is compared to gas chromatography–mass spectrometry by the example of mint essential oil analysis.},\n\tnumber = {5},\n\tjournal = {Mendeleev Communications},\n\tauthor = {Chernetsova, Elena S. and Khomyakov, Yuri Yu. and Goryainov, Sergey V. and Ovcharov, Maxim V. and Bochkov, Pavel O. and Zatonsky, George V. and Zhokhov, Sergey S. and Abramovich, Rimma A.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {299--300},\n}\n\n\n\n
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\n Direct analysis in real time (DART) mass spectrometry is compared to gas chromatography–mass spectrometry by the example of mint essential oil analysis.\n
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\n \n\n \n \n \n \n \n Applications of Direct Analysis in Real Time Mass Spectrometry (DART-MS) in Allium Chemistry. 2-Propenesulfenic and 2-Propenesulfinic Acids, Diallyl Trisulfane S-Oxide, and Other Reactive Sulfur Compounds from Crushed Garlic and Other Alliums.\n \n \n \n\n\n \n Block, E.; Dane, A.; Thomas, S.; and Cody, R.\n\n\n \n\n\n\n Journal of Agricultural and Food Chemistry, 58(8): 4617–4625. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{block_applications_2010,\n\ttitle = {Applications of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) in {Allium} {Chemistry}. 2-{Propenesulfenic} and 2-{Propenesulfinic} {Acids}, {Diallyl} {Trisulfane} {S}-{Oxide}, and {Other} {Reactive} {Sulfur} {Compounds} from {Crushed} {Garlic} and {Other} {Alliums}},\n\tvolume = {58},\n\tdoi = {10.1021/jf1000106},\n\tabstract = {Through the use of direct analysis in real time mass spectrometry (DART-MS), 2-propenesulfenic acid, an intermediate long postulated as being formed when garlic (Allium sativum) is crushed, has been detected for the first time and determined by mass spectrometric methods to have a half-life of {\\textless}1 s at room temperature. Two other key intermediates, 2-propenesulfinic acid and diallyl trisulfane S-oxide, have also been detected for the first time in volatiles from crushed garlic, along with allicin and related thiosulfinates, allyl alcohol, sulfur dioxide, propene, and pyruvate as coproducts. A commercial dietary supplement containing garlic powder, which was sampled after crushing, was found to contain alliin, methiin, and S-allylcysteine and produced allicin upon addition of water. DART-MS detection of 1-butenesulfenic acid from the ornamental A. siculum is also reported. (Z)-Propanethial S-oxide (onion lachrymatory factor), absent in garlic, is found to be formed from crushed elephant garlic (Allium ampeloprasum), consistent with the classification of this plant as a closer relative of leek than of garlic. Mixtures of thiosulfinates, lachrymatory thial S-oxides, and related compounds are directly observed from crushed leek (Allium porrum) and Chinese chive (Allium tuberosum). Disulfanes and polysulfanes are detected only when the Allium samples are heated, consistent with earlier conclusions that these are not primary products from cut or crushed alliums.},\n\tnumber = {8},\n\tjournal = {Journal of Agricultural and Food Chemistry},\n\tauthor = {Block, E. and Dane, A.J. and Thomas, S. and Cody, R.B.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {4617--4625},\n}\n\n\n\n
\n
\n\n\n
\n Through the use of direct analysis in real time mass spectrometry (DART-MS), 2-propenesulfenic acid, an intermediate long postulated as being formed when garlic (Allium sativum) is crushed, has been detected for the first time and determined by mass spectrometric methods to have a half-life of \\textless1 s at room temperature. Two other key intermediates, 2-propenesulfinic acid and diallyl trisulfane S-oxide, have also been detected for the first time in volatiles from crushed garlic, along with allicin and related thiosulfinates, allyl alcohol, sulfur dioxide, propene, and pyruvate as coproducts. A commercial dietary supplement containing garlic powder, which was sampled after crushing, was found to contain alliin, methiin, and S-allylcysteine and produced allicin upon addition of water. DART-MS detection of 1-butenesulfenic acid from the ornamental A. siculum is also reported. (Z)-Propanethial S-oxide (onion lachrymatory factor), absent in garlic, is found to be formed from crushed elephant garlic (Allium ampeloprasum), consistent with the classification of this plant as a closer relative of leek than of garlic. Mixtures of thiosulfinates, lachrymatory thial S-oxides, and related compounds are directly observed from crushed leek (Allium porrum) and Chinese chive (Allium tuberosum). Disulfanes and polysulfanes are detected only when the Allium samples are heated, consistent with earlier conclusions that these are not primary products from cut or crushed alliums.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time Ion Source.\n \n \n \n\n\n \n Cody, R. B.; and Dane, A. J.\n\n\n \n\n\n\n In Meyers, R. A., editor(s), Encyclopedia of Analytical Chemistry. John Wiley & Sons, Ltd., Published online: December 15, 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@incollection{cody_direct_2010,\n\taddress = {Published online: December 15},\n\ttitle = {Direct {Analysis} in {Real} {Time} {Ion} {Source}},\n\tisbn = {978-0-470-02731-8},\n\tabstract = {Direct Analysis in Real Time (DARTTM) refers to an atmospheric-pressure “open-air” ion source that is based on the interaction of long-lived (“metastable”) excited-state neutral atoms or molecules with analytes and atmospheric gases. The DART source is used for the rapid analysis of liquids, solids, vapors, or materials on surfaces in open air with little or no sample preparation.},\n\tbooktitle = {Encyclopedia of {Analytical} {Chemistry}},\n\tpublisher = {John Wiley \\& Sons, Ltd.},\n\tauthor = {Cody, Robert B. and Dane, A. John},\n\teditor = {Meyers, Robert A.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DARTTM) refers to an atmospheric-pressure “open-air” ion source that is based on the interaction of long-lived (“metastable”) excited-state neutral atoms or molecules with analytes and atmospheric gases. The DART source is used for the rapid analysis of liquids, solids, vapors, or materials on surfaces in open air with little or no sample preparation.\n
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\n \n\n \n \n \n \n \n Recognition of beer brand based on multivariate analysis of volatile fingerprint.\n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1217(25): 4195–4203. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cajka_recognition_2010,\n\ttitle = {Recognition of beer brand based on multivariate analysis of volatile fingerprint},\n\tvolume = {1217},\n\tdoi = {10.1016/j.chroma.2009.12.049},\n\tabstract = {Automated head-space solid-phase microextraction (HS-SPME)-based sampling procedure, coupled to gas chromatography-time-of-flight mass spectrometry (GC-TOFMS), was developed and employed for obtaining of fingerprints (GC profiles) of beer volatiles. In total, 265 speciality beer samples were collected over a 1-year period with the aim to distinguish, based on analytical (profiling) data, (i) the beers labelled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. For the chemometric evaluation of the data, partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) were tested. The best prediction ability was obtained for the model that distinguished a group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided 100\\% correct classification. Slightly worse prediction abilities were achieved for the models "Trappist vs. non-Trappist beers" with the values of 93.9\\% (PLS-DA), 91.9\\% (LDA) and 97.0\\% (ANN-MLP) and "Rochefort 8 vs. the rest" with the values of 87.9\\% (PLS-DA) and 84.8\\% (LDA) and 93.9\\% (ANN-MLP). In addition to chromatographic profiling, also the potential of direct coupling of SPME (extraction/pre-concentration device) with high-resolution TOFMS employing a direct analysis in real time (DART) ion source has been demonstrated as a challenging profiling approach.},\n\tnumber = {25},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Cajka, T. and Riddellova, K. and Tomaniova, M. and Hajslova, J.},\n\tyear = {2010},\n\tkeywords = {DART; AccuTOF},\n\tpages = {4195--4203},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Automated head-space solid-phase microextraction (HS-SPME)-based sampling procedure, coupled to gas chromatography-time-of-flight mass spectrometry (GC-TOFMS), was developed and employed for obtaining of fingerprints (GC profiles) of beer volatiles. In total, 265 speciality beer samples were collected over a 1-year period with the aim to distinguish, based on analytical (profiling) data, (i) the beers labelled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. For the chemometric evaluation of the data, partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) were tested. The best prediction ability was obtained for the model that distinguished a group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided 100% correct classification. Slightly worse prediction abilities were achieved for the models \"Trappist vs. non-Trappist beers\" with the values of 93.9% (PLS-DA), 91.9% (LDA) and 97.0% (ANN-MLP) and \"Rochefort 8 vs. the rest\" with the values of 87.9% (PLS-DA) and 84.8% (LDA) and 93.9% (ANN-MLP). In addition to chromatographic profiling, also the potential of direct coupling of SPME (extraction/pre-concentration device) with high-resolution TOFMS employing a direct analysis in real time (DART) ion source has been demonstrated as a challenging profiling approach.\n
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\n \n\n \n \n \n \n \n The use of DART mass spectrometry for express confirmation of empirical formulas of heterocyclic compounds.\n \n \n \n\n\n \n Chernetsova, E.; Ovcharov, M.; Khomyakov, Y. Y.; Bochkov, P.; and Varlamov, A.\n\n\n \n\n\n\n Russian Chemical Bulletin, 59(10): 2014–2015. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_use_2010,\n\ttitle = {The use of {DART} mass spectrometry for express confirmation of empirical formulas of heterocyclic compounds},\n\tvolume = {59},\n\tabstract = {The results of studying the possibility of using DART spectrometry with a time-of-flight mass analyzer to confirm the elemental composition of heterocyclic compounds are presented. The method makes it possible to rapidly determine the molecular weight and to calculate the empirical formula of organic synthesis product.},\n\tnumber = {10},\n\tjournal = {Russian Chemical Bulletin},\n\tauthor = {Chernetsova, E.S. and Ovcharov, M.V. and Khomyakov, Yu. Yu. and Bochkov, P.O. and Varlamov, A.V.},\n\tyear = {2010},\n\tkeywords = {DART mass spectrometry; heterocyclic compounds; AccuTOF},\n\tpages = {2014--2015},\n}\n\n\n\n
\n
\n\n\n
\n The results of studying the possibility of using DART spectrometry with a time-of-flight mass analyzer to confirm the elemental composition of heterocyclic compounds are presented. The method makes it possible to rapidly determine the molecular weight and to calculate the empirical formula of organic synthesis product.\n
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\n \n\n \n \n \n \n \n \n The coupling of direct analysis in real time ionization to Fourier transform ion cyclotron resonance mass spectrometry for ultrahigh-resolution mass analysis.\n \n \n \n \n\n\n \n Rummel, J. L.; McKenna, A. M.; Marshall, A. G.; Eyler, J. R.; and Powell, D. H.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(6): 784–790. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{rummel_coupling_2010,\n\ttitle = {The coupling of direct analysis in real time ionization to {Fourier} transform ion cyclotron resonance mass spectrometry for ultrahigh-resolution mass analysis},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4450},\n\tdoi = {10.1002/rcm.4450},\n\tabstract = {Direct Analysis in Real Time (DART) is an ambient ionization technique for mass spectrometry that provides rapid and sensitive analyses with little or no sample preparation. DART has been reported primarily for mass analyzers of low to moderate resolving power such as quadrupole ion traps and time-of-flight (TOF) mass spectrometers. In the current work, a custom-built DART source has been successfully coupled to two different Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers for the first time. Comparison of spectra of the isobaric compounds, diisopropyl methylphosphonate and theophylline, acquired by 4.7 T FT-ICR MS and TOF MS, demonstrates that the TOF resolving power can be insufficient for compositionally complex samples. 9.4 T FT-ICR MS yielded the highest mass resolving power yet reported with DART ionization for 1,2-benzanthracene and 9,10-diphenylanthracene. Polycyclic aromatic hydrocarbons exhibit a spatial dependence in ionization mechanisms between the DART source and the mass spectrometer. The feasibility of analyzing a variety of samples was established with the introduction and analysis of food products and crude oil samples. DART FT-ICR MS provides complex sample analysis that is rapid, highly selective and information-rich, but limited to relatively low-mass analytes. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {6},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rummel, Julia L. and McKenna, Amy M. and Marshall, Alan G. and Eyler, John R. and Powell, David H.},\n\tyear = {2010},\n\tkeywords = {FT-ICR},\n\tpages = {784--790},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART) is an ambient ionization technique for mass spectrometry that provides rapid and sensitive analyses with little or no sample preparation. DART has been reported primarily for mass analyzers of low to moderate resolving power such as quadrupole ion traps and time-of-flight (TOF) mass spectrometers. In the current work, a custom-built DART source has been successfully coupled to two different Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers for the first time. Comparison of spectra of the isobaric compounds, diisopropyl methylphosphonate and theophylline, acquired by 4.7 T FT-ICR MS and TOF MS, demonstrates that the TOF resolving power can be insufficient for compositionally complex samples. 9.4 T FT-ICR MS yielded the highest mass resolving power yet reported with DART ionization for 1,2-benzanthracene and 9,10-diphenylanthracene. Polycyclic aromatic hydrocarbons exhibit a spatial dependence in ionization mechanisms between the DART source and the mass spectrometer. The feasibility of analyzing a variety of samples was established with the introduction and analysis of food products and crude oil samples. DART FT-ICR MS provides complex sample analysis that is rapid, highly selective and information-rich, but limited to relatively low-mass analytes. Copyright © 2010 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of stabilisers in polypropylene using time-of-flight mass spectrometry and DART as ion source.\n \n \n \n \n\n\n \n Haunschmidt, M.; Klampfl, C. W.; Buchberger, W.; and Hertsens, R.\n\n\n \n\n\n\n The Analyst, 135(1): 80. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{haunschmidt_rapid_2010,\n\ttitle = {Rapid identification of stabilisers in polypropylene using time-of-flight mass spectrometry and {DART} as ion source},\n\tvolume = {135},\n\tissn = {0003-2654, 1364-5528},\n\turl = {http://xlink.rsc.org/?DOI=b911040b},\n\tdoi = {10.1039/b911040b},\n\tabstract = {A method for analysing plastic samples without any sample pretreatment using direct analysis in real time mass spectrometry (DART-MS) was developed. DART-MS allows the direct, simple and rapid identification of polymer additives in plastic products. To demonstrate the suitability of DART-MS for the detection of a wide range of commonly employed stabilising agents, a test set of 21 stabilisers was selected. In a first step standard solutions of these stabilisers in toluene as well as toluene-extracts from polymer samples were analysed. Subsequently, to prove the applicability of the developed DART-MS method also for the direct analysis of plastic products, samples of polypropylene containing a range of stabilisers were prepared using a lab-scale compounder. Polymer samples were cut into 0.5 cm wide pieces and directly placed into the DART ion source. Focusing on the DART ionisation, several parameters like discharge needle potential, potential of the grid electrode and the discharge electrode, the heater temperature and the gas flow had to be varied to guarantee optimum results. Both positive and negative ionisation was tested, whereby the positive ion mode led to higher signal intensities for all analytes. Determination of accurate masses to improve the certainty in signal assignment could be achieved by using PEG 600 as an internal standard for mass calibration. The developed method allowed the detection of all selected additives (including some of their degradation products) in real polymer samples.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {The Analyst},\n\tauthor = {Haunschmidt, Manuela and Klampfl, Christian W. and Buchberger, Wolfgang and Hertsens, Robert},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {80},\n}\n\n\n\n
\n
\n\n\n
\n A method for analysing plastic samples without any sample pretreatment using direct analysis in real time mass spectrometry (DART-MS) was developed. DART-MS allows the direct, simple and rapid identification of polymer additives in plastic products. To demonstrate the suitability of DART-MS for the detection of a wide range of commonly employed stabilising agents, a test set of 21 stabilisers was selected. In a first step standard solutions of these stabilisers in toluene as well as toluene-extracts from polymer samples were analysed. Subsequently, to prove the applicability of the developed DART-MS method also for the direct analysis of plastic products, samples of polypropylene containing a range of stabilisers were prepared using a lab-scale compounder. Polymer samples were cut into 0.5 cm wide pieces and directly placed into the DART ion source. Focusing on the DART ionisation, several parameters like discharge needle potential, potential of the grid electrode and the discharge electrode, the heater temperature and the gas flow had to be varied to guarantee optimum results. Both positive and negative ionisation was tested, whereby the positive ion mode led to higher signal intensities for all analytes. Determination of accurate masses to improve the certainty in signal assignment could be achieved by using PEG 600 as an internal standard for mass calibration. The developed method allowed the detection of all selected additives (including some of their degradation products) in real polymer samples.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of additives in poly(vinyl chloride) lid gaskets by direct analysis in real time ionisation and single-quadrupole mass spectrometry.\n \n \n \n \n\n\n \n Rothenbacher, T.; and Schwack, W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(1): 21–29. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{rothenbacher_rapid_2010,\n\ttitle = {Rapid identification of additives in poly(vinyl chloride) lid gaskets by direct analysis in real time ionisation and single-quadrupole mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4350},\n\tdoi = {10.1002/rcm.4350},\n\tabstract = {Gaskets for lids of glass jars usually consist of poly(vinyl chloride) (PVC) containing plasticisers and additional additives, which may migrate into packed foodstuffs. To conform to legal regulations, any such migration has to be determined analytically, which is a big challenge due to the huge chemical variety of additives in use. Therefore, a rapid screening method by means of direct analysis in real time mass spectrometry (DART-MS), using a single-quadrupole mass spectrometer, was developed. On introducing a plastisol sample into the DART interface, protonated molecules and ammonium adducts were obtained as the typical ionisation products of any additives present, and cleavages of ester bonds as typical fragmentation processes. Generally, additives present in the 1\\% range could be directly and easily identified if ion suppressive effects deriving from specific molecules did not occur. These effects could be avoided by analysing toluene extracts of plastisol samples, and this also improved the sensivity. Using this method, it was possible to identify phthalates, fatty acid amides, tributyl O-acetylcitrate, dibutyl sebacate, bis(2-ethylhexyl) adipate, 1,2-diisononyl 1,2-cyclohexanedicarboxylate, and even more complex additives like acetylated mono- and diacylglycerides, epoxidised soybean oil, and polyadipates, with a limit of detection of ≤1\\% in PVC plastisols. Only in the case of epoxidised linseed oil were levels of ≥5\\% required for identification. The detection of azodicarbonamide, used as a foaming agent within the manufacturing process, was possible in principle, but was not highly reproducible due to the very low concentrations in plastisols. Copyright © 2009 John Wiley \\& Sons, Ltd.},\n\tnumber = {1},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rothenbacher, Thorsten and Schwack, Wolfgang},\n\tyear = {2010},\n\tkeywords = {Agilent Quad},\n\tpages = {21--29},\n}\n\n\n\n
\n
\n\n\n
\n Gaskets for lids of glass jars usually consist of poly(vinyl chloride) (PVC) containing plasticisers and additional additives, which may migrate into packed foodstuffs. To conform to legal regulations, any such migration has to be determined analytically, which is a big challenge due to the huge chemical variety of additives in use. Therefore, a rapid screening method by means of direct analysis in real time mass spectrometry (DART-MS), using a single-quadrupole mass spectrometer, was developed. On introducing a plastisol sample into the DART interface, protonated molecules and ammonium adducts were obtained as the typical ionisation products of any additives present, and cleavages of ester bonds as typical fragmentation processes. Generally, additives present in the 1% range could be directly and easily identified if ion suppressive effects deriving from specific molecules did not occur. These effects could be avoided by analysing toluene extracts of plastisol samples, and this also improved the sensivity. Using this method, it was possible to identify phthalates, fatty acid amides, tributyl O-acetylcitrate, dibutyl sebacate, bis(2-ethylhexyl) adipate, 1,2-diisononyl 1,2-cyclohexanedicarboxylate, and even more complex additives like acetylated mono- and diacylglycerides, epoxidised soybean oil, and polyadipates, with a limit of detection of ≤1% in PVC plastisols. Only in the case of epoxidised linseed oil were levels of ≥5% required for identification. The detection of azodicarbonamide, used as a foaming agent within the manufacturing process, was possible in principle, but was not highly reproducible due to the very low concentrations in plastisols. Copyright © 2009 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Selective ionization of melamine in powdered milk by using argon direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Dane, A. J.; and Cody, R. B.\n\n\n \n\n\n\n Analyst, 135(4): 696–699. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{dane_selective_2010,\n\ttitle = {Selective ionization of melamine in powdered milk by using argon direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {135},\n\tdoi = {10.1039/B923561B},\n\tabstract = {5-Hydroxymethylfurfural (5-HMF) is a compound with the elemental composition C6H6O3 that is present in powdered milk. Protonated 5-HMF (calculated m/z 127.0395) has the same nominal m/z as protonated melamine (calculated m/z 127.0732) and can interfere with direct analysis of melamine in powdered milk. Tandem mass spectrometry and high-resolution mass spectrometry have been previously used to distinguish melamine from 5-HMF. An alternative approach is presented here that uses the direct analysis in real time (DART) ion source operated with argon gas in combination with acetylacetone and pyridine reagent gases to selectively ionize melamine and eliminate the interference from 5-HMF. High-resolution/accurate mass data were used to verify the elimination of the 5-HMF interference and confirm the melamine elemental composition. With further refinement, this technique could lead to a rapid analysis method for screening large numbers of samples.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Dane, A. John and Cody, R. B.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {696--699},\n}\n\n\n\n
\n
\n\n\n
\n 5-Hydroxymethylfurfural (5-HMF) is a compound with the elemental composition C6H6O3 that is present in powdered milk. Protonated 5-HMF (calculated m/z 127.0395) has the same nominal m/z as protonated melamine (calculated m/z 127.0732) and can interfere with direct analysis of melamine in powdered milk. Tandem mass spectrometry and high-resolution mass spectrometry have been previously used to distinguish melamine from 5-HMF. An alternative approach is presented here that uses the direct analysis in real time (DART) ion source operated with argon gas in combination with acetylacetone and pyridine reagent gases to selectively ionize melamine and eliminate the interference from 5-HMF. High-resolution/accurate mass data were used to verify the elimination of the 5-HMF interference and confirm the melamine elemental composition. With further refinement, this technique could lead to a rapid analysis method for screening large numbers of samples.\n
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\n \n\n \n \n \n \n \n Allium chemistry: Use of new instrumental techniques to “see” reactive organosulfur species formed upon crushing garlic and onion.\n \n \n \n\n\n \n Block, E.; Cody, R.; Dane, A.; Sheridan, R.; Vattekkatte, A.; and Wang, K.\n\n\n \n\n\n\n Pure and Applied Chemistry, 82(3): 535–539. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{block_allium_2010,\n\ttitle = {Allium chemistry: {Use} of new instrumental techniques to “see” reactive organosulfur species formed upon crushing garlic and onion},\n\tvolume = {82},\n\tdoi = {10.1351/PAC-CON-09-08-12},\n\tabstract = {Three different instrumental methods have been used to examine the organosulfur chemistry of intact and cut garlic and onions: X-ray fluorescence spectroscopic imaging (XFS), direct analysis in real time (DART) mass spec-trometry, and ultra-performance liquid chromatography-(Ag+)-coordination ion spray mass spectrometry (UPLC–(Ag+)CIS–MS). The first technique has been used to map the location of different chemical forms of sulfur in intact and damaged onion cells, the second technique, to identify the reactive, volatile sulfur compounds formed on cutting the plants, and the third technique, to identify members of families of polysulfides  found in the distilled oil of garlic.},\n\tnumber = {3},\n\tjournal = {Pure and Applied Chemistry},\n\tauthor = {Block, E. and Cody, R.B. and Dane, A.J. and Sheridan, R. and Vattekkatte, A. and Wang, K.},\n\tyear = {2010},\n\tkeywords = {direct analysis in real time; garlic; mass spectrometry; onion; sulfur compounds; ultra-performance liquid chromatography; X-ray fluorescence spectroscopy, AccuTOF},\n\tpages = {535--539},\n}\n\n\n\n
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\n Three different instrumental methods have been used to examine the organosulfur chemistry of intact and cut garlic and onions: X-ray fluorescence spectroscopic imaging (XFS), direct analysis in real time (DART) mass spec-trometry, and ultra-performance liquid chromatography-(Ag+)-coordination ion spray mass spectrometry (UPLC–(Ag+)CIS–MS). The first technique has been used to map the location of different chemical forms of sulfur in intact and damaged onion cells, the second technique, to identify the reactive, volatile sulfur compounds formed on cutting the plants, and the third technique, to identify members of families of polysulfides found in the distilled oil of garlic.\n
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\n \n\n \n \n \n \n \n Profiling of Piper betle Linn. cultivars by direct analysis in real time mass spectrometric technique.\n \n \n \n\n\n \n Bajpai, V.; Sharma, D.; Kumar, B.; and Madhusudanan, K. P.\n\n\n \n\n\n\n Biomedical Chromatography, 24(12): 1283–1286. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{bajpai_profiling_2010,\n\ttitle = {Profiling of {Piper} betle {Linn}. cultivars by direct analysis in real time mass spectrometric technique},\n\tvolume = {24},\n\tdoi = {10.1002/bmc.1437},\n\tabstract = {Piper betle Linn. is a traditional plant associated with the Asian and southeast Asian cultures. Its use is also recorded in folk medicines in these regions. Several of its medicinal properties have recently been proven. Phytochemical analysis showed the presence of mainly terpenes and phenols in betel leaves. These constituents vary in the different cultivars of Piper betle. In this paper we have attempted to profile eight locally available betel cultivars using the recently developed mass spectral ionization technique of direct analysis in real time (DART). Principal component analysis has also been employed to analyze the DART MS data of these betel cultivars. The results show that the cultivars of Piper betle could be differentiated using DART MS data.},\n\tnumber = {12},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Bajpai, Vikas and Sharma, Deepty and Kumar, Brijesh and Madhusudanan, K. P.},\n\tyear = {2010},\n\tkeywords = {DARTMS; Piper betle L; cultivars; profiling; PCA; AccuTOF},\n\tpages = {1283--1286},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Piper betle Linn. is a traditional plant associated with the Asian and southeast Asian cultures. Its use is also recorded in folk medicines in these regions. Several of its medicinal properties have recently been proven. Phytochemical analysis showed the presence of mainly terpenes and phenols in betel leaves. These constituents vary in the different cultivars of Piper betle. In this paper we have attempted to profile eight locally available betel cultivars using the recently developed mass spectral ionization technique of direct analysis in real time (DART). Principal component analysis has also been employed to analyze the DART MS data of these betel cultivars. The results show that the cultivars of Piper betle could be differentiated using DART MS data.\n
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\n \n\n \n \n \n \n \n Analysis of multiple mycotoxins in cereals under ambient conditions using direct analysis in real time (DART) ionization coupled to high resolution mass spectrometry.\n \n \n \n\n\n \n Vaclavik, L.; Zachariasova, M.; Hrbek, V.; and Hajslova, J.\n\n\n \n\n\n\n Talanta, 82(5): 1950–1957. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_analysis_2010,\n\ttitle = {Analysis of multiple mycotoxins in cereals under ambient conditions using direct analysis in real time ({DART}) ionization coupled to high resolution mass spectrometry},\n\tvolume = {82},\n\tabstract = {Direct analysis in real time (DART) ionization coupled to an (ultra)high resolution mass spectrometer based on orbitrap technology (orbitrapMS) was used for rapid quantitative analysis of multiple mycotoxins isolated from wheat and maize by modified QuEChERS procedure. After initial evaluation of ionization efficiencies for major groups of mycotoxins achievable with DART technology, sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of most intensively ionizing toxins (deoxynivalenol, nivalenol, zearalenon, actyldeoxynivalenol, deepoxy-deoxynivalenol, fusarenon-X, altenuene, alternariol, alternariolmethylether, diacetoxyscirpenol,\nsterigmatocystin). The lowest calibration levels (LCLs) estimated for the respective analytes ranged from 50 to 150 [mu]g kg-1. Quantitative\nanalysis was performed either with the use of matrix-matched standards or by employing commercially available 13C-labeled internal standards\n(available for deoxynivalenol, nivalenol and zearalenon). Good recoveries (100-108\\%) and repeatabilities (RSD 5.4-6.9\\%) were obtained\nat spiking level 500 [mu]g kg-1 with isotope dilution technique. Based on matrix-matched calibration, recoveries and repeatabilities were in\nthe range 84-118\\% and 7.9-12.0\\% (RSD), respectively. The trueness of data obtained for deoxynivalenol and zearalenon in wheat/maize by DART-orbitrapMS was demonstrated by analysis of certified reference materials (CRMs). Good agreement of these results with data generated\nby validated ultra-high pressure liquid chromatography-time-of-flight mass spectrometry method was documented.},\n\tnumber = {5},\n\tjournal = {Talanta},\n\tauthor = {Vaclavik, Lukas and Zachariasova, Milena and Hrbek, Vojtech and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Orbitrap},\n\tpages = {1950--1957},\n}\n\n\n\n
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\n Direct analysis in real time (DART) ionization coupled to an (ultra)high resolution mass spectrometer based on orbitrap technology (orbitrapMS) was used for rapid quantitative analysis of multiple mycotoxins isolated from wheat and maize by modified QuEChERS procedure. After initial evaluation of ionization efficiencies for major groups of mycotoxins achievable with DART technology, sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of most intensively ionizing toxins (deoxynivalenol, nivalenol, zearalenon, actyldeoxynivalenol, deepoxy-deoxynivalenol, fusarenon-X, altenuene, alternariol, alternariolmethylether, diacetoxyscirpenol, sterigmatocystin). The lowest calibration levels (LCLs) estimated for the respective analytes ranged from 50 to 150 [mu]g kg-1. Quantitative analysis was performed either with the use of matrix-matched standards or by employing commercially available 13C-labeled internal standards (available for deoxynivalenol, nivalenol and zearalenon). Good recoveries (100-108%) and repeatabilities (RSD 5.4-6.9%) were obtained at spiking level 500 [mu]g kg-1 with isotope dilution technique. Based on matrix-matched calibration, recoveries and repeatabilities were in the range 84-118% and 7.9-12.0% (RSD), respectively. The trueness of data obtained for deoxynivalenol and zearalenon in wheat/maize by DART-orbitrapMS was demonstrated by analysis of certified reference materials (CRMs). Good agreement of these results with data generated by validated ultra-high pressure liquid chromatography-time-of-flight mass spectrometry method was documented.\n
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\n \n\n \n \n \n \n \n Investigations on the Coupling of High-Performance Liquid Chromatography to Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Eberherr, W.; Buchberger, W.; Hertsens, R.; and Klampfl, C.\n\n\n \n\n\n\n Analytical Chemistry, 82(13): 5792–5796. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{eberherr_investigations_2010,\n\ttitle = {Investigations on the {Coupling} of {High}-{Performance} {Liquid} {Chromatography} to {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {82},\n\tdoi = {10.1021/ac1008496},\n\tabstract = {A novel hyphenated technique namely the combination of HPLC with direct analysis in real time (DART) mass spectrometry (MS) is presented. The coupling of HPLC to DART-MS was achieved by a simple interface design with a capillary end piece transferring the HPLC effluent to the ionization region of the DART. Flow rates (0.3−1.6 mL min−1) and inner diameters of the capillary (50−150 μm) were harmonized to provide a stable liquid jet. Ionization-related parameters optimized included positioning of the capillary end piece with respect to He outlet of the ionization source and the MS inlet, He heater temperature and He flow rate. Among DART-MS voltages, the grid electrode voltage proved to have the most pronounced effect on signal intensities. A major benefit of this setup is the possibility to employ (commonly not MS-compatible) HPLC eluents such as phosphate buffers up to a phosphate concentration of 120 mM even at typical HPLC flow rates such as 1 mL min−1  and above without negative side effects like contamination of the ion source or ion suppression. Experiments evaluating the correlation of signal intensity to mass-flow and concentration revealed that DART-MS can be seen as a mass flow sensitive detector. The usability of this hyphenated technique has been tested on the example of four parabenes (measured in the negative ion mode) as well as a set of pyrazine derivatives (measured in the positive ion mode). For the parabenes limits of detection (LOD) in the range of 20−55 μg L−1 and linear ranges from at least 200−10000 μg L−1 with correlation coefficients better than 0.997 were obtained.},\n\tnumber = {13},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Eberherr, W. and Buchberger, W. and Hertsens, R. and Klampfl, C.W.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {5792--5796},\n}\n\n\n\n
\n
\n\n\n
\n A novel hyphenated technique namely the combination of HPLC with direct analysis in real time (DART) mass spectrometry (MS) is presented. The coupling of HPLC to DART-MS was achieved by a simple interface design with a capillary end piece transferring the HPLC effluent to the ionization region of the DART. Flow rates (0.3−1.6 mL min−1) and inner diameters of the capillary (50−150 μm) were harmonized to provide a stable liquid jet. Ionization-related parameters optimized included positioning of the capillary end piece with respect to He outlet of the ionization source and the MS inlet, He heater temperature and He flow rate. Among DART-MS voltages, the grid electrode voltage proved to have the most pronounced effect on signal intensities. A major benefit of this setup is the possibility to employ (commonly not MS-compatible) HPLC eluents such as phosphate buffers up to a phosphate concentration of 120 mM even at typical HPLC flow rates such as 1 mL min−1 and above without negative side effects like contamination of the ion source or ion suppression. Experiments evaluating the correlation of signal intensity to mass-flow and concentration revealed that DART-MS can be seen as a mass flow sensitive detector. The usability of this hyphenated technique has been tested on the example of four parabenes (measured in the negative ion mode) as well as a set of pyrazine derivatives (measured in the positive ion mode). For the parabenes limits of detection (LOD) in the range of 20−55 μg L−1 and linear ranges from at least 200−10000 μg L−1 with correlation coefficients better than 0.997 were obtained.\n
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\n \n\n \n \n \n \n \n \n Ambient Pressure Desorption Ionization Mass Spectrometry in Support of Preclinical Pharmaceutical Development.\n \n \n \n \n\n\n \n Helmy, R.; Schafer, W.; Buhler, L.; Marcinko, S.; Musselman, B.; Guidry, E.; Jenkins, H.; Fleitz, F.; and Welch, C. J.\n\n\n \n\n\n\n Organic Process Research & Development, 14(2): 386–392. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{helmy_ambient_2010,\n\ttitle = {Ambient {Pressure} {Desorption} {Ionization} {Mass} {Spectrometry} in {Support} of {Preclinical} {Pharmaceutical} {Development}},\n\tvolume = {14},\n\tissn = {1083-6160, 1520-586X},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/op9002938},\n\tdoi = {10.1021/op9002938},\n\tabstract = {The use of ambient pressure desorption ionization mass spectrometry for the rapid analytical support of process and pharmaceutical development is demonstrated. The ability of direct analysis in real time (DART) technology to analyze both active pharmaceutical ingredients (APIs) and intermediates without sample preparation or the development of LC-based separations provided critical experimental results with minimal time required for method development. The utility and versatility of DART is shown for applications such as degradation studies, analysis of high-throughput catalyst screens, preparative-scale chromatography fractions, and impurity determination.},\n\tnumber = {2},\n\turldate = {2012-04-18},\n\tjournal = {Organic Process Research \\& Development},\n\tauthor = {Helmy, Roy and Schafer, Wes and Buhler, Leah and Marcinko, Stephen and Musselman, Brian and Guidry, Erin and Jenkins, Herb and Fleitz, Fred and Welch, Christopher J.},\n\tyear = {2010},\n\tkeywords = {Thermo LTQ},\n\tpages = {386--392},\n}\n\n\n\n
\n
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\n The use of ambient pressure desorption ionization mass spectrometry for the rapid analytical support of process and pharmaceutical development is demonstrated. The ability of direct analysis in real time (DART) technology to analyze both active pharmaceutical ingredients (APIs) and intermediates without sample preparation or the development of LC-based separations provided critical experimental results with minimal time required for method development. The utility and versatility of DART is shown for applications such as degradation studies, analysis of high-throughput catalyst screens, preparative-scale chromatography fractions, and impurity determination.\n
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\n \n\n \n \n \n \n \n \n Transmission-mode direct analysis in real time and desorption electrospray ionization mass spectrometry of insecticide-treated bednets for malaria control.\n \n \n \n \n\n\n \n Perez, J. J.; Harris, G. A.; Chipuk, J. E.; Brodbelt, J. S.; Green, M. D.; Hampton, C. Y.; and Fernandez, F. M.\n\n\n \n\n\n\n Analyst, 135(4): 712–719. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"Transmission-modePaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{perez_transmission-mode_2010,\n\ttitle = {Transmission-mode direct analysis in real time and desorption electrospray ionization mass spectrometry of insecticide-treated bednets for malaria control},\n\tvolume = {135},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/B924533B},\n\tabstract = {Transmission-mode direct analysis in real time (TM-DART) is presented as an alternative sampling strategy to traditional methods of sample introduction for DART MS analysis. A custom-designed sample holder was fabricated to rapidly and reproducibly position insecticide-treated nets normal to the ionizing metastable gas stream, enabling transmission of desorbed analyte ions through the holder cavity and into the MS. Introduction of the sample at this fixed geometry eliminates the need for optimizing sample position and allows spectra based on factors such as metastable gas temperature and flow to be systematically evaluated. The results presented here, supported by computational fluid dynamic simulations, demonstrate the effects of these factors on the resulting mass spectra and the potential of this sampling strategy to be used for qualitative and quantitative analyses. Transmission-mode desorption electrospray ionization (TM-DESI) experiments on similar insecticide-treated nets were performed for comparison purposes.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Perez, Jose J. and Harris, Glenn A. and Chipuk, Joseph E. and Brodbelt, Jennifer S. and Green, Michael D. and Hampton, Christina Y. and Fernandez, Facundo M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {712--719},\n}\n\n\n\n
\n
\n\n\n
\n Transmission-mode direct analysis in real time (TM-DART) is presented as an alternative sampling strategy to traditional methods of sample introduction for DART MS analysis. A custom-designed sample holder was fabricated to rapidly and reproducibly position insecticide-treated nets normal to the ionizing metastable gas stream, enabling transmission of desorbed analyte ions through the holder cavity and into the MS. Introduction of the sample at this fixed geometry eliminates the need for optimizing sample position and allows spectra based on factors such as metastable gas temperature and flow to be systematically evaluated. The results presented here, supported by computational fluid dynamic simulations, demonstrate the effects of these factors on the resulting mass spectra and the potential of this sampling strategy to be used for qualitative and quantitative analyses. Transmission-mode desorption electrospray ionization (TM-DESI) experiments on similar insecticide-treated nets were performed for comparison purposes.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART) Mass Spectrometry of Nucleotides and Nucleosides: Elucidation of a Novel Fragment [C5H5O]+ and Its In-Source Adducts.\n \n \n \n\n\n \n Curtis, M. E.; Minier, M. A.; Chitranshi, P.; Sparkman, O. D.; Jones, P. R.; and Xue, L.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(8): 1371–1381. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{curtis_direct_2010,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry} of {Nucleotides} and {Nucleosides}: {Elucidation} of a {Novel} {Fragment} [{C5H5O}]+ and {Its} {In}-{Source} {Adducts}},\n\tvolume = {21},\n\tdoi = {10.1016/j.jasms.2010.03.046},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry is a recently developed innovative technology, which has shown broad applications for fast and convenient analysis of complex samples. Due to the ease of sample preparation, we have recently initiated an investigation of the feasibility of detecting nucleotides and nucleosides using the DART-AccuTOF instrument, which we will refer to as the DART mass spectrometer. Our experimental results reveal that the ions representing the intact molecules of nucleotides are not detectable in either positive-ion or negative-ion mode. Instead, all four natural nucleotides fragment in the DART ion source, and a common fragment ion, [C5H5O]+ (1), is observed, which is probably formed via multiple- elimination reactions. Interestingly, 1  can form adducts with nucleobases in different molar ratios in the DART ion source. In contrast to nucleotides, the ions representing the intact molecules of nucleosides are detected in both positive-ion and negative-ion mode using DART mass spectrometry. Surprisingly, the fragmentation pattern of nucleosides is different from that of nucleotides in the DART ion source. In the cases of nucleosides (under positive-ion conditions), the production of 1 is not observed, indicating that the phosphate group plays an important role for the multiple eliminations observed in the spectra of nucleotides. The in-source reactions described in the present work show the complexity of the conditions in the DART ion source, and we hope that our results illustrate a better understanding about DART mass spectrometry.},\n\tnumber = {8},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Curtis, M. E. and Minier, M. A. and Chitranshi, P. and Sparkman, O. D. and Jones, P. R. and Xue, L.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1371--1381},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) mass spectrometry is a recently developed innovative technology, which has shown broad applications for fast and convenient analysis of complex samples. Due to the ease of sample preparation, we have recently initiated an investigation of the feasibility of detecting nucleotides and nucleosides using the DART-AccuTOF instrument, which we will refer to as the DART mass spectrometer. Our experimental results reveal that the ions representing the intact molecules of nucleotides are not detectable in either positive-ion or negative-ion mode. Instead, all four natural nucleotides fragment in the DART ion source, and a common fragment ion, [C5H5O]+ (1), is observed, which is probably formed via multiple- elimination reactions. Interestingly, 1 can form adducts with nucleobases in different molar ratios in the DART ion source. In contrast to nucleotides, the ions representing the intact molecules of nucleosides are detected in both positive-ion and negative-ion mode using DART mass spectrometry. Surprisingly, the fragmentation pattern of nucleosides is different from that of nucleotides in the DART ion source. In the cases of nucleosides (under positive-ion conditions), the production of 1 is not observed, indicating that the phosphate group plays an important role for the multiple eliminations observed in the spectra of nucleotides. The in-source reactions described in the present work show the complexity of the conditions in the DART ion source, and we hope that our results illustrate a better understanding about DART mass spectrometry.\n
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\n \n\n \n \n \n \n \n An ultra superfast identification of low-molecular components of pharmaceuticals by DART mass spectrometry.\n \n \n \n\n\n \n Chernetsova, E.; Bochkov, P.; Ovcharov, M.; Zatonskii, G.; and Abramovich, R.\n\n\n \n\n\n\n Journal of Analytical Chemistry, 65(14): 1537–1539. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_ultra_2010,\n\ttitle = {An ultra superfast identification of low-molecular components of pharmaceuticals by {DART} mass spectrometry},\n\tvolume = {65},\n\tnumber = {14},\n\tjournal = {Journal of Analytical Chemistry},\n\tauthor = {Chernetsova, E.S. and Bochkov, P.O. and Ovcharov, M.V. and Zatonskii, G.V. and Abramovich, R.A.},\n\tyear = {2010},\n\tkeywords = {DART; AccuTOF},\n\tpages = {1537--1539},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry: a fast screening of solid pharmaceuticals for the presence of an active ingredient, as an alternative for IR spectroscopy.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Bochkov, P. O.; Ovcharov, M. V.; Zhokhov, S. S.; and Abramovich, R. A.\n\n\n \n\n\n\n Drug Testing and Analysis, 2(6): 292–294. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_dart_2010,\n\ttitle = {{DART} mass spectrometry: a fast screening of solid pharmaceuticals for the presence of an active ingredient, as an alternative for {IR} spectroscopy},\n\tvolume = {2},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.136},\n\tdoi = {10.1002/dta.136},\n\tabstract = {The application of DART as a choice analytical tool for rapid analysis of counterfeit pharmaceuticals is discussed. DART technology shows considerable promise for rapid, ‘investigator friendly’ studies of ingredients contained within pharmaceuticals. Its user friendly approach renders it as an attractive, rapid, labour saving tool in comparison to its traditional IR counterpart.},\n\tnumber = {6},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Chernetsova, Elena S. and Bochkov, Pavel O. and Ovcharov, Maxim V. and Zhokhov, Sergey S. and Abramovich, Rimma A.},\n\tyear = {2010},\n\tpages = {292--294},\n}\n\n\n\n
\n
\n\n\n
\n The application of DART as a choice analytical tool for rapid analysis of counterfeit pharmaceuticals is discussed. DART technology shows considerable promise for rapid, ‘investigator friendly’ studies of ingredients contained within pharmaceuticals. Its user friendly approach renders it as an attractive, rapid, labour saving tool in comparison to its traditional IR counterpart.\n
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\n \n\n \n \n \n \n \n \n Analysis of multiple mycotoxins in beer employing (ultra)-high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Zachariasova, M.; Cajka, T.; Godula, M.; Malachova, A.; Veprikova, Z.; and Hajslova, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(22): 3357–3367. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zachariasova_analysis_2010,\n\ttitle = {Analysis of multiple mycotoxins in beer employing (ultra)-high-resolution mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4746},\n\tdoi = {10.1002/rcm.4746},\n\tabstract = {The objective of the presented study was to develop and optimize a simple, high-throughput method for the control of 32 mycotoxins (Fusarium and Alternaria toxins, aflatoxins, ergot alkaloids, ochratoxins, and sterigmatocystin) in beer. Due to the broad range of their physicochemical properties, the sample preparation step was simplified as much as possible to avoid analyte losses. The addition of acetonitrile to beer samples enabled precipitation of abundant matrix components. The clean-up efficiency was controlled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source. For determination of analytes, ultra-high-performance liquid chromatography hyphenated with high-resolution mass spectrometry utilizing an orbitrap (U-HPLC–orbitrapMS) or time-of-flight (TOFMS) technology was used. Because of significantly better detection capabilities of the orbitrap technology, the U-HPLC–orbitrapMS method was chosen as a determinative step and fully validated. To compensate matrix effects, matrix-matched calibration was employed. The lowest calibration levels for most of the target mycotoxins ranged from 1 to 8 µg L−1 beer and the recoveries of analytes were in range from 86 to 124\\%. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {22},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Zachariasova, Milena and Cajka, Tomas and Godula, Michal and Malachova, Alexandra and Veprikova, Zdenka and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Orbitrap},\n\tpages = {3357--3367},\n}\n\n\n\n
\n
\n\n\n
\n The objective of the presented study was to develop and optimize a simple, high-throughput method for the control of 32 mycotoxins (Fusarium and Alternaria toxins, aflatoxins, ergot alkaloids, ochratoxins, and sterigmatocystin) in beer. Due to the broad range of their physicochemical properties, the sample preparation step was simplified as much as possible to avoid analyte losses. The addition of acetonitrile to beer samples enabled precipitation of abundant matrix components. The clean-up efficiency was controlled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source. For determination of analytes, ultra-high-performance liquid chromatography hyphenated with high-resolution mass spectrometry utilizing an orbitrap (U-HPLC–orbitrapMS) or time-of-flight (TOFMS) technology was used. Because of significantly better detection capabilities of the orbitrap technology, the U-HPLC–orbitrapMS method was chosen as a determinative step and fully validated. To compensate matrix effects, matrix-matched calibration was employed. The lowest calibration levels for most of the target mycotoxins ranged from 1 to 8 µg L−1 beer and the recoveries of analytes were in range from 86 to 124%. Copyright © 2010 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Release kinetics of actives from chewing gums into saliva monitored by direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Jeckelmann, N.; and Haefliger, O. P.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(8): 1165–1171. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ReleasePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{jeckelmann_release_2010,\n\ttitle = {Release kinetics of actives from chewing gums into saliva monitored by direct analysis in real time mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4500},\n\tdoi = {10.1002/rcm.4500},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) was used to monitor the release kinetics of a taste-refreshing compound from chewing gums into the saliva of subjects. A new DART-MS sample probe was designed which was about four times more sensitive than the current benchmark probe. This decreased the impact of the dilution of the saliva samples that was required to minimize ion suppression effects and make quantitative analyses without an internal standard possible. The new probe was also about three times more reproducible, which allowed quantitative measurements to be conducted manually without requiring the enhanced precision provided by an automatic sample positioner. The accuracy of analyses performed by DART-MS was verified by comparing the results obtained from saliva samples analyzed both by DART-MS and by a more classical liquid chromatography/mass spectrometry (LC/MS) method. This investigation showed good agreement between the two techniques. DART-MS could then be used to objectively demonstrate the efficiency of a granular carbohydrate-based delivery system to boost for a few minutes the release of a lipophilic flavor raw material with a high octanol/water partition coefficient, cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl) (WS-3), from chewing gum into saliva. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {8},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Jeckelmann, Nicolas and Haefliger, Olivier P.},\n\tyear = {2010},\n\tkeywords = {Applied Biosystems QTrap},\n\tpages = {1165--1171},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) was used to monitor the release kinetics of a taste-refreshing compound from chewing gums into the saliva of subjects. A new DART-MS sample probe was designed which was about four times more sensitive than the current benchmark probe. This decreased the impact of the dilution of the saliva samples that was required to minimize ion suppression effects and make quantitative analyses without an internal standard possible. The new probe was also about three times more reproducible, which allowed quantitative measurements to be conducted manually without requiring the enhanced precision provided by an automatic sample positioner. The accuracy of analyses performed by DART-MS was verified by comparing the results obtained from saliva samples analyzed both by DART-MS and by a more classical liquid chromatography/mass spectrometry (LC/MS) method. This investigation showed good agreement between the two techniques. DART-MS could then be used to objectively demonstrate the efficiency of a granular carbohydrate-based delivery system to boost for a few minutes the release of a lipophilic flavor raw material with a high octanol/water partition coefficient, cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl) (WS-3), from chewing gum into saliva. Copyright © 2010 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Optimization of a direct analysis in real time/time-of-flight mass spectrometry method for rapid serum metabolomic fingerprinting.\n \n \n \n \n\n\n \n Zhou, M.; McDonald, J. F.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(1): 68–75. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhou_optimization_2010,\n\ttitle = {Optimization of a direct analysis in real time/time-of-flight mass spectrometry method for rapid serum metabolomic fingerprinting},\n\tvolume = {21},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://www.springerlink.com/index/10.1016/j.jasms.2009.09.004},\n\tdoi = {10.1016/j.jasms.2009.09.004},\n\tabstract = {Metabolomic fingerprinting of bodily fluids can reveal the underlying causes of metabolic disorders associated with many diseases, and has thus been recognized as a potential tool for disease diagnosis and prognosis following therapy. Here we report a rapid approach in which direct analysis in real time (DART) coupled with time-of-flight (TOF) mass spectrometry (MS) and hybrid quadrupole TOF (Q-TOF) MS is used as a means for metabolomic fingerprinting of human serum. In this approach, serum samples are first treated to precipitate proteins, and the volatility of the remaining metabolites increased by derivatization, followed by DART MS analysis. Maximum DART MS performance was obtained by optimizing instrumental parameters such as ionizing gas temperature and flow rate for the analysis of identical aliquots of a healthy human serum samples. These variables were observed to have a significant effect on the overall mass range of the metabolites detected as well as the signal-to-noise ratios in DART mass spectra. Each DART run requires only 1.2 min, during which more than 1500 different spectral features are observed in a time-dependent fashion. A repeatability of 4.1\\% to 4.5\\% was obtained for the total ion signal using a manual sampling arm. With the appealing features of high-throughput, lack of memory effects, and simplicity, DART MS has shown potential to become an invaluable tool for metabolomic fingerprinting.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Zhou, Manshui and McDonald, John F. and Fernández, Facundo M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {68--75},\n}\n\n\n\n
\n
\n\n\n
\n Metabolomic fingerprinting of bodily fluids can reveal the underlying causes of metabolic disorders associated with many diseases, and has thus been recognized as a potential tool for disease diagnosis and prognosis following therapy. Here we report a rapid approach in which direct analysis in real time (DART) coupled with time-of-flight (TOF) mass spectrometry (MS) and hybrid quadrupole TOF (Q-TOF) MS is used as a means for metabolomic fingerprinting of human serum. In this approach, serum samples are first treated to precipitate proteins, and the volatility of the remaining metabolites increased by derivatization, followed by DART MS analysis. Maximum DART MS performance was obtained by optimizing instrumental parameters such as ionizing gas temperature and flow rate for the analysis of identical aliquots of a healthy human serum samples. These variables were observed to have a significant effect on the overall mass range of the metabolites detected as well as the signal-to-noise ratios in DART mass spectra. Each DART run requires only 1.2 min, during which more than 1500 different spectral features are observed in a time-dependent fashion. A repeatability of 4.1% to 4.5% was obtained for the total ion signal using a manual sampling arm. With the appealing features of high-throughput, lack of memory effects, and simplicity, DART MS has shown potential to become an invaluable tool for metabolomic fingerprinting.\n
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\n \n\n \n \n \n \n \n \n Rapid Mass Spectrometric Metabolic Profiling of Blood Sera Detects Ovarian Cancer with High Accuracy.\n \n \n \n \n\n\n \n Zhou, M.; Guan, W.; Walker, L. D.; Mezencev, R.; Benigno, B. B.; Gray, A.; Fernandez, F. M.; and McDonald, J. F.\n\n\n \n\n\n\n Cancer Epidemiology, Biomarkers & Prevention. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhou_rapid_2010,\n\ttitle = {Rapid {Mass} {Spectrometric} {Metabolic} {Profiling} of {Blood} {Sera} {Detects} {Ovarian} {Cancer} with {High} {Accuracy}},\n\turl = {http://cebp.aacrjournals.org/content/early/2010/08/05/1055-9965.EPI-10-0126.abstract},\n\tdoi = {10.1158/1055-9965.EPI-10-0126},\n\tabstract = {Background: Ovarian cancer diagnosis is problematic because the disease is typically asymptomatic, especially at the early stages of progression and/or recurrence. We report here the integration of a new mass spectrometric technology with a novel support vector machine computational method for use in cancer diagnostics, and describe the application of the method to ovarian cancer.\n\nMethods: We coupled a high-throughput ambient ionization technique for mass spectrometry (direct analysis in real-time mass spectrometry) to profile relative metabolite levels in sera from 44 women diagnosed with serous papillary ovarian cancer (stages I-IV) and 50 healthy women or women with benign conditions. The profiles were input to a customized functional support vector machine–based machine-learning algorithm for diagnostic classification. Performance was evaluated through a 64-30 split validation test and with a stringent series of leave-one-out cross-validations.\n\nResults: The assay distinguished between the cancer and control groups with an unprecedented 99\\% to 100\\% accuracy (100\\% sensitivity and 100\\% specificity by the 64-30 split validation test; 100\\% sensitivity and 98\\% specificity by leave-one-out cross-validations).\n\nConclusion: The method has significant clinical potential as a cancer diagnostic tool. Because of the extremely low prevalence of ovarian cancer in the general population (∼0.04\\%), extensive prospective testing will be required to evaluate the test's potential utility in general screening applications. However, more immediate applications might be as a diagnostic tool in higher-risk groups or to monitor cancer recurrence after therapeutic treatment.\n\nImpact: The ability to accurately and inexpensively diagnose ovarian cancer will have a significant positive effect on ovarian cancer treatment and outcome.},\n\tjournal = {Cancer Epidemiology, Biomarkers \\& Prevention},\n\tauthor = {Zhou, M. and Guan, W. and Walker, L. D. and Mezencev, R. and Benigno, B. B. and Gray, A. and Fernandez, F. M. and McDonald, J. F.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
\n
\n\n\n
\n Background: Ovarian cancer diagnosis is problematic because the disease is typically asymptomatic, especially at the early stages of progression and/or recurrence. We report here the integration of a new mass spectrometric technology with a novel support vector machine computational method for use in cancer diagnostics, and describe the application of the method to ovarian cancer. Methods: We coupled a high-throughput ambient ionization technique for mass spectrometry (direct analysis in real-time mass spectrometry) to profile relative metabolite levels in sera from 44 women diagnosed with serous papillary ovarian cancer (stages I-IV) and 50 healthy women or women with benign conditions. The profiles were input to a customized functional support vector machine–based machine-learning algorithm for diagnostic classification. Performance was evaluated through a 64-30 split validation test and with a stringent series of leave-one-out cross-validations. Results: The assay distinguished between the cancer and control groups with an unprecedented 99% to 100% accuracy (100% sensitivity and 100% specificity by the 64-30 split validation test; 100% sensitivity and 98% specificity by leave-one-out cross-validations). Conclusion: The method has significant clinical potential as a cancer diagnostic tool. Because of the extremely low prevalence of ovarian cancer in the general population (∼0.04%), extensive prospective testing will be required to evaluate the test's potential utility in general screening applications. However, more immediate applications might be as a diagnostic tool in higher-risk groups or to monitor cancer recurrence after therapeutic treatment. Impact: The ability to accurately and inexpensively diagnose ovarian cancer will have a significant positive effect on ovarian cancer treatment and outcome.\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry: advances and applications in forensics.\n \n \n \n \n\n\n \n Green, F. M.; Salter, T. L.; Stokes, P.; Gilmore, I. S.; and O'Connor, G.\n\n\n \n\n\n\n Surface and Interface Analysis, 42(5): 347–357. May 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{green_ambient_2010,\n\ttitle = {Ambient mass spectrometry: advances and applications in forensics},\n\tvolume = {42},\n\tissn = {01422421, 10969918},\n\tshorttitle = {Ambient mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/sia.3131},\n\tdoi = {10.1002/sia.3131},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-01-29},\n\tjournal = {Surface and Interface Analysis},\n\tauthor = {Green, F. M. and Salter, T. L. and Stokes, P. and Gilmore, I. S. and O'Connor, G.},\n\tmonth = may,\n\tyear = {2010},\n\tpages = {347--357},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid determination of melamine and cyanuric acid in milk powder using direct analysis in real time-time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Vaclavik, L.; Rosmus, J.; Popping, B.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1217(25): 4204–4211. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_rapid_2010,\n\ttitle = {Rapid determination of melamine and cyanuric acid in milk powder using direct analysis in real time-time-of-flight mass spectrometry},\n\tvolume = {1217},\n\turl = {http://dx.doi.org/10.1016/j.chroma.2010.03.014},\n\tabstract = {The use of fast semi-automated method employing direct analysis in real time (DART) ion source coupled to time-of-flight mass spectrometry (TOFMS) for analysis of melamine (MEL) and cyanuric acid (CYA) in milk powder and milk based products has been demonstrated in this study. Simple sample extraction procedure employing methanol–5\\% aqueous formic acid mixture, which enabled disruption of melamine–cyanurate complex, was followed by direct, high-throughput (30 s per run) examination of sample extracts spread on a glass rod by mass spectrometry under ambient conditions, without any prior chromatographic separation. After optimization of instrument parameter settings, limits of detection (LODs) 170 and 450 μg kg−1 were achieved for MEL and CYA, respectively. In the final phase of study, the possibility of minimizing spectral interference, thus improving method performance characteristics through the use of ultrahigh resolving power offered by Orbitrap based mass analyzer is demonstrated.},\n\tnumber = {25},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Vaclavik, Lukas and Rosmus, Jan and Popping, Bert and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Melamine; Cyanuric acid; Milk powder; Direct analysis in real time (DART); Time-of-flight mass spectrometry; AccuTOF; Orbitrap mass spectrometry},\n\tpages = {4204--4211},\n}\n\n\n\n
\n
\n\n\n
\n The use of fast semi-automated method employing direct analysis in real time (DART) ion source coupled to time-of-flight mass spectrometry (TOFMS) for analysis of melamine (MEL) and cyanuric acid (CYA) in milk powder and milk based products has been demonstrated in this study. Simple sample extraction procedure employing methanol–5% aqueous formic acid mixture, which enabled disruption of melamine–cyanurate complex, was followed by direct, high-throughput (30 s per run) examination of sample extracts spread on a glass rod by mass spectrometry under ambient conditions, without any prior chromatographic separation. After optimization of instrument parameter settings, limits of detection (LODs) 170 and 450 μg kg−1 were achieved for MEL and CYA, respectively. In the final phase of study, the possibility of minimizing spectral interference, thus improving method performance characteristics through the use of ultrahigh resolving power offered by Orbitrap based mass analyzer is demonstrated.\n
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\n \n\n \n \n \n \n \n Thermal separation to facilitate Direct Analysis in Real Time (DART) of mixtures.\n \n \n \n\n\n \n Nilles, J.; Connell, T.; and Durst, H.\n\n\n \n\n\n\n Analyst, 135(5): 883–886. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nilles_thermal_2010,\n\ttitle = {Thermal separation to facilitate {Direct} {Analysis} in {Real} {Time} ({DART}) of mixtures},\n\tvolume = {135},\n\tdoi = {10.1039/c0an00036a},\n\tabstract = {We explore a thermal separation technique for use with Direct Analysis in Real Time (DART). By applying gas temperature ramping, we are able to disburse a mixture of compounds in time. The three components were selected to create a challenging mixture that would not likely be discerned solely using exact mass capabilities. While the thermal separation technique is of low resolution, it preserves the inherent rapid, non-contact, ambient characteristics of the ion source.},\n\tnumber = {5},\n\tjournal = {Analyst},\n\tauthor = {Nilles, J.M. and Connell, T.R. and Durst, H.D.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {883--886},\n}\n\n\n\n
\n
\n\n\n
\n We explore a thermal separation technique for use with Direct Analysis in Real Time (DART). By applying gas temperature ramping, we are able to disburse a mixture of compounds in time. The three components were selected to create a challenging mixture that would not likely be discerned solely using exact mass capabilities. While the thermal separation technique is of low resolution, it preserves the inherent rapid, non-contact, ambient characteristics of the ion source.\n
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\n \n\n \n \n \n \n \n Routine analysis and characterization of highly insoluble polycyclic aromatic compounds by direct analysis in real time mass spectrometry (DART).\n \n \n \n\n\n \n Domin, M.; Steinberg, B.; Quimby, J.; Smith, N.; Greene, A.; and Scott, L.\n\n\n \n\n\n\n Analyst, 135(4): 700–704. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{domin_routine_2010,\n\ttitle = {Routine analysis and characterization of highly insoluble polycyclic aromatic compounds by direct analysis in real time mass spectrometry ({DART})},\n\tvolume = {135},\n\tdoi = {10.1039/b923300h},\n\tabstract = {Direct Analysis in Real Time (DART), is used for the first time for the routine rapid analysis of highly insoluble polycyclic aromatic compounds. Direct analysis of such compounds as solid samples under solvent-free conditions shows that DART is a powerful analytical platform capable of providing high-throughput analysis for these complex samples, requiring no special sample pre-treatment or instrument setup.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Domin, M.A. and Steinberg, B.D. and Quimby, J.M. and Smith, N.J. and Greene, A.K. and Scott, L.T.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {700--704},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART), is used for the first time for the routine rapid analysis of highly insoluble polycyclic aromatic compounds. Direct analysis of such compounds as solid samples under solvent-free conditions shows that DART is a powerful analytical platform capable of providing high-throughput analysis for these complex samples, requiring no special sample pre-treatment or instrument setup.\n
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\n \n\n \n \n \n \n \n A Rapid Technique for the Confirmation of Iodine and Red Phosphorus Using Direct Analysis in Real Time and Accurate Mass Spectrometry.\n \n \n \n\n\n \n Steiner, R. R\n\n\n \n\n\n\n Microgram J, 7(1): 3–6. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{steiner_rapid_2010,\n\ttitle = {A {Rapid} {Technique} for the {Confirmation} of {Iodine} and {Red} {Phosphorus} {Using} {Direct} {Analysis} in {Real} {Time} and {Accurate} {Mass} {Spectrometry}},\n\tvolume = {7},\n\tabstract = {Iodine and red phosphorus are chemicals commonly seen in clandestine methamphetamine laboratories. Current analytical methods used for the confirmation of these chemicals include FTIR and GC/MS, usually after a derivatization or reaction with other compounds. X-ray diffraction and scanning electron microscope-energy dispersive x-ray analysis are also used to confirm these chemicals, but all of these techniques tend to be time-consuming or produce poisonous products. A novel technique, using the JEOL-IonSense AccuTOF-DART system, has been developed which yields accurate mass spectra usually in less than ten minutes of analysis time, with no sample preparation.},\n\tnumber = {1},\n\tjournal = {Microgram J},\n\tauthor = {Steiner, Robert R},\n\tyear = {2010},\n\tpages = {3--6},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Iodine and red phosphorus are chemicals commonly seen in clandestine methamphetamine laboratories. Current analytical methods used for the confirmation of these chemicals include FTIR and GC/MS, usually after a derivatization or reaction with other compounds. X-ray diffraction and scanning electron microscope-energy dispersive x-ray analysis are also used to confirm these chemicals, but all of these techniques tend to be time-consuming or produce poisonous products. A novel technique, using the JEOL-IonSense AccuTOF-DART system, has been developed which yields accurate mass spectra usually in less than ten minutes of analysis time, with no sample preparation.\n
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\n \n\n \n \n \n \n \n Identification of Glycyrrhiza species by direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Fukuda, E.; Baba, M.; Iwasaki, N.; Uesawa, Y.; Arifuku, K.; Kamoe, O.; Tsubono, K.; and Okada, Y.\n\n\n \n\n\n\n Natural product communications, 5(11): 1755–1758. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fukuda_identification_2010,\n\ttitle = {Identification of {Glycyrrhiza} species by direct analysis in real time mass spectrometry.},\n\tvolume = {5},\n\tabstract = {DART (Direct Analysis in Real Time)-MS is a novel mass spectrometric ion source, and allows the analysis of most compounds at ambient pressure and ground potential by producing [M+H]+ molecular ion species. Using this method, we examined the compounds characteristic of several kinds of licorices. For the analysis of Glycyrrhiza inflata Batalin, the peak at m/z 339 originates mainly from [M+H]+ of licochalcone A (LA), a species-specific compound. This peak was hardly detected in G. glabra Linné and G. uralensis Fischer. These results indicate that G. inflata can be differentiated from the other two species by detection of LA peaks using DART-MS analysis.},\n\tnumber = {11},\n\tjournal = {Natural product communications},\n\tauthor = {Fukuda, Eriko and Baba, Masaki and Iwasaki, Noriaki and Uesawa, Yoshihiro and Arifuku, Kazunori and Kamoe, Osamu and Tsubono, Koji and Okada, Yoshihito},\n\tyear = {2010},\n\tpages = {1755--1758},\n}\n\n\n\n
\n
\n\n\n
\n DART (Direct Analysis in Real Time)-MS is a novel mass spectrometric ion source, and allows the analysis of most compounds at ambient pressure and ground potential by producing [M+H]+ molecular ion species. Using this method, we examined the compounds characteristic of several kinds of licorices. For the analysis of Glycyrrhiza inflata Batalin, the peak at m/z 339 originates mainly from [M+H]+ of licochalcone A (LA), a species-specific compound. This peak was hardly detected in G. glabra Linné and G. uralensis Fischer. These results indicate that G. inflata can be differentiated from the other two species by detection of LA peaks using DART-MS analysis.\n
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\n \n\n \n \n \n \n \n \n Identification of marker compounds in herbal drugs on TLC with DART-MS.\n \n \n \n \n\n\n \n Kim, H. J.; Jee, E. H.; Ahn, K. S.; Choi, H. S.; and Jang, Y. P.\n\n\n \n\n\n\n Archives of Pharmacal Research, 33(9): 1355–1359. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_identification_2010,\n\ttitle = {Identification of marker compounds in herbal drugs on {TLC} with {DART}-{MS}},\n\tvolume = {33},\n\tissn = {0253-6269, 1976-3786},\n\turl = {http://www.springerlink.com/index/10.1007/s12272-010-0909-7},\n\tdoi = {10.1007/s12272-010-0909-7},\n\tabstract = {This study was conducted to provide a more versatile and specific information on Thin Layer Chromatographic (TLC) analysis of medicinal plants. TLC plates developed with the extract of herbal medicines were analyzed with direct analysis in real time (DART) ion source. Three well known herbal drugs were extracted and developed on a silica-coated TLC plate with the conditions pre-established in Korean Pharmacopoeia IX. The developed plate was placed between the DART ion source and TOF-MS analyzer to get real time mass spectra from the bands on the TLC plate directly. The marker coumarin compounds, decursin and decursinol were successfully identified from the TLC plate developed with Angelicae gigantis radix, along with alkaloid compounds of rutaecarpine and evodiamine from Evodiae fructus, and lignan molecules of gomisin A, N, and schisandrin from Schisandrae fructus. This hyphenation system of TLC and DART-MS could provide unique and specific information on the major constituents of crude plant drug on TLC through uncovering high resolution mass number of each band on the TLC plate directly in real time.},\n\tnumber = {9},\n\turldate = {2012-04-18},\n\tjournal = {Archives of Pharmacal Research},\n\tauthor = {Kim, Hye Jin and Jee, Eun Hye and Ahn, Kwang Sung and Choi, Hyo Sook and Jang, Young Pyo},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1355--1359},\n}\n\n\n\n
\n
\n\n\n
\n This study was conducted to provide a more versatile and specific information on Thin Layer Chromatographic (TLC) analysis of medicinal plants. TLC plates developed with the extract of herbal medicines were analyzed with direct analysis in real time (DART) ion source. Three well known herbal drugs were extracted and developed on a silica-coated TLC plate with the conditions pre-established in Korean Pharmacopoeia IX. The developed plate was placed between the DART ion source and TOF-MS analyzer to get real time mass spectra from the bands on the TLC plate directly. The marker coumarin compounds, decursin and decursinol were successfully identified from the TLC plate developed with Angelicae gigantis radix, along with alkaloid compounds of rutaecarpine and evodiamine from Evodiae fructus, and lignan molecules of gomisin A, N, and schisandrin from Schisandrae fructus. This hyphenation system of TLC and DART-MS could provide unique and specific information on the major constituents of crude plant drug on TLC through uncovering high resolution mass number of each band on the TLC plate directly in real time.\n
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\n \n\n \n \n \n \n \n \n Explosives Detection Using Direct Analysis in Real Time (DART) Mass Spectrometry.\n \n \n \n \n\n\n \n Nilles, J. M.; Connell, T. R.; Stokes, S. T.; and Dupont Durst, H.\n\n\n \n\n\n\n Propellants, Explosives, Pyrotechnics, 35(5): 446–451. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ExplosivesPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nilles_explosives_2010,\n\ttitle = {Explosives {Detection} {Using} {Direct} {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry}},\n\tvolume = {35},\n\tissn = {07213115},\n\turl = {http://doi.wiley.com/10.1002/prep.200900084},\n\tdoi = {10.1002/prep.200900084},\n\tabstract = {The growing use of explosives by terrorists and criminals creates a need for instrumentation which can rapidly analyze these energetic compounds, preferably on site. Direct analysis in real time (DART) is a promising technology for surface analysis with little or no sample preparation. Therefore, DART ionization is evaluated for use in detecting explosives on solid substrates and in liquid matrices. Fifteen explosives were chosen as a consequence of their common usage. Five surfaces were chosen to represent a wide range of physical properties such as composition, porosity, surface morphology, and thermal and electrical conductivity. Additionally these surfaces are commonly found in everyday surroundings. All 75 compound-surface combinations produced a clear, easily identifiable, mass spectra characteristic of the targeted analyte. Simultaneous detection of five explosives is demonstrated on these same surfaces. Lastly, rapid detection of trace contamination in common fluids is also explored.},\n\tnumber = {5},\n\turldate = {2012-04-18},\n\tjournal = {Propellants, Explosives, Pyrotechnics},\n\tauthor = {Nilles, J. Michael and Connell, Theresa R. and Stokes, Sarah T. and Dupont Durst, H.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {446--451},\n}\n\n\n\n
\n
\n\n\n
\n The growing use of explosives by terrorists and criminals creates a need for instrumentation which can rapidly analyze these energetic compounds, preferably on site. Direct analysis in real time (DART) is a promising technology for surface analysis with little or no sample preparation. Therefore, DART ionization is evaluated for use in detecting explosives on solid substrates and in liquid matrices. Fifteen explosives were chosen as a consequence of their common usage. Five surfaces were chosen to represent a wide range of physical properties such as composition, porosity, surface morphology, and thermal and electrical conductivity. Additionally these surfaces are commonly found in everyday surroundings. All 75 compound-surface combinations produced a clear, easily identifiable, mass spectra characteristic of the targeted analyte. Simultaneous detection of five explosives is demonstrated on these same surfaces. Lastly, rapid detection of trace contamination in common fluids is also explored.\n
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\n \n\n \n \n \n \n \n \n Bambusae Caulis in Taeniam extract reduces ovalbumin-induced airway inflammation and T helper 2 responses in mice.\n \n \n \n \n\n\n \n Ra, J.; Lee, S.; Kim, H.; Jang, Y.; Ahn, H.; and Kim, J.\n\n\n \n\n\n\n Journal of Ethnopharmacology, 128(1): 241–247. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"BambusaePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{ra_bambusae_2010,\n\ttitle = {Bambusae {Caulis} in {Taeniam} extract reduces ovalbumin-induced airway inflammation and {T} helper 2 responses in mice},\n\tvolume = {128},\n\turl = {http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6T8D-4Y5BMD1-B&_user=10&_coverDate=03%2F02%2F2010&_rdoc=1&_fmt=high&_orig=search&_sort=d&_docanchor=&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=4d40845f392128c88900870785447421},\n\tdoi = {10.1016/j.jep.2010.01.023},\n\tabstract = {Ethnopharmacological relevance Bambusae Caulis in Taeniam (BC) was known as traditional herbal medicine with anti-inflammatory property in the Orient. Aim of the study Allergic asthma is inflammatory disease of airways associated with enhanced T helper (Th) 2 lymphocytes responses to allergens, leading to eosinophilic infiltration and elevated serum IgE levels. Although there were some studies that BC extract had an anti-inflammatory property, there was no study on asthma. In present study, we investigated the suitability of BC extract as a therapeutic candidate in the treatment of allergic airway disease in ovalbumin-induced asthma model. Materials and methods Balb/C mice (female, 6 weeks old) were treated by ovalbumin sensitization and nebulization, and used as asthma model. The number of eosinophil in bronchoalveolar lavage (BAL) fluid and the degree of eosinophila were investigated by hematoxylin and eosin stain and the infiltration of inflammatory cells into lung tissues was examined by staining by hematoxylin and eosin solution. The levels of interleukin (IL)-4 in BAL fluid, immunoglobulin E (IgE) in serum, interferon (IFN)-γ and IL-4 production in splenocyte culture from Balb/C mice (not treated, 6 weeks old) that incubated with or without BC extract for 48 h were determined by enzyme-linked immunosorbent assay. Results The level of eosinophils was decreased by treatment of the animals with BC extract (40 mg/kg) and correspondingly, a significantly lowered degree of eosinophila was also reported (p {\\textless} 0.01). In lung tissue, BC extract reduced the increased immune cell infiltration induced by OVA (p {\\textless} 0.05). Furthermore, the levels of IL-4 and IgE in BAL fluid or serum up-regulated by OVA was decreased by BC extract. Finally, IFN-γ production was significantly increased (p {\\textless} 0.01), while IL-4 production significantly decreased (p {\\textless} 0.01), after treatment of the culture supernatants of splenocytes with BC extract. Conclusions These results indicated that BC extract reduces OVA-induced airway inflammation and Th 2 response in mice, suggesting that BC extract can be a therapeutic candidate for allergic airway disease, including asthma.},\n\tnumber = {1},\n\tjournal = {Journal of Ethnopharmacology},\n\tauthor = {Ra, J. and Lee, S. and Kim, H.J. and Jang, Y.P. and Ahn, H. and Kim, J.},\n\tyear = {2010},\n\tkeywords = {Airway inflammation; Bambusae Caulis in Taeniam; Herbal medicine; AccuTOF},\n\tpages = {241--247},\n}\n\n\n\n
\n
\n\n\n
\n Ethnopharmacological relevance Bambusae Caulis in Taeniam (BC) was known as traditional herbal medicine with anti-inflammatory property in the Orient. Aim of the study Allergic asthma is inflammatory disease of airways associated with enhanced T helper (Th) 2 lymphocytes responses to allergens, leading to eosinophilic infiltration and elevated serum IgE levels. Although there were some studies that BC extract had an anti-inflammatory property, there was no study on asthma. In present study, we investigated the suitability of BC extract as a therapeutic candidate in the treatment of allergic airway disease in ovalbumin-induced asthma model. Materials and methods Balb/C mice (female, 6 weeks old) were treated by ovalbumin sensitization and nebulization, and used as asthma model. The number of eosinophil in bronchoalveolar lavage (BAL) fluid and the degree of eosinophila were investigated by hematoxylin and eosin stain and the infiltration of inflammatory cells into lung tissues was examined by staining by hematoxylin and eosin solution. The levels of interleukin (IL)-4 in BAL fluid, immunoglobulin E (IgE) in serum, interferon (IFN)-γ and IL-4 production in splenocyte culture from Balb/C mice (not treated, 6 weeks old) that incubated with or without BC extract for 48 h were determined by enzyme-linked immunosorbent assay. Results The level of eosinophils was decreased by treatment of the animals with BC extract (40 mg/kg) and correspondingly, a significantly lowered degree of eosinophila was also reported (p \\textless 0.01). In lung tissue, BC extract reduced the increased immune cell infiltration induced by OVA (p \\textless 0.05). Furthermore, the levels of IL-4 and IgE in BAL fluid or serum up-regulated by OVA was decreased by BC extract. Finally, IFN-γ production was significantly increased (p \\textless 0.01), while IL-4 production significantly decreased (p \\textless 0.01), after treatment of the culture supernatants of splenocytes with BC extract. Conclusions These results indicated that BC extract reduces OVA-induced airway inflammation and Th 2 response in mice, suggesting that BC extract can be a therapeutic candidate for allergic airway disease, including asthma.\n
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\n \n\n \n \n \n \n \n Determination of organic UV filters in water by stir bar sorptive extraction and direct analysis in real-time mass spectrometry.\n \n \n \n\n\n \n Haunschmidt, M.; Klampfl, C.; Buchberger, W.; and Hertsens, R.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 397(1): 269–275. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_determination_2010,\n\ttitle = {Determination of organic {UV} filters in water by stir bar sorptive extraction and direct analysis in real-time mass spectrometry},\n\tvolume = {397},\n\tdoi = {10.1007/s00216-009-3438-9},\n\tabstract = {A screening method for analyzing environmental waters contaminated with UV filters using direct analysis in real-time mass spectrometry (DART-MS) was developed. To demonstrate the suitability of DART-MS a test set of seven organic UV filters, namely benzophenone-3 (BP-3), ethylhexyl dimethyl p-aminobenzoate (OD-PABA), 4-t-butyl-4′-methoxydibenzoylmethane (BM-DBM), homomethyl salicylate (HMS), 2-(ethylhexyl) salicylate (EHS), octocrylene (OC), and 4-methylbenzylidene camphor (4-MBC), was defined. In the first step, standard solutions of the analytes prepared in methanol were investigated in order to determine optimum parameters for the DART-MS. Because of the very low concentrations of UV filters expected in environmental water samples, a pre-concentration step using stir bar sorptive extraction was performed. DART-MS allows the direct, simple and rapid semi-quantitative analysis of the analytes enriched on the surface of the polydimethylsiloxane-coated stir bars. The optimized method provided calibration curves with correlation coefficients R{\\textgreater}0.959, repeatability from 5\\% (for 4-MBC) to 30\\% (for BM-DBM) relative standard deviation and limits of detection lower than 40 ng L−1 for all analytes. Finally, real lake water samples from locations with typical leisure activities were analyzed. Results obtained with the developed DART-MS method were cross-checked by confirmatory analysis using thermodesorption gas chromatography mass spectrometry (TD-GC-MS). Thereby, it could be demonstrated that both analytical methods provide comparable concentrations for the UV filters in the lake water samples.},\n\tnumber = {1},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Haunschmidt, Manuela and Klampfl, Christian and Buchberger, Wolfgang and Hertsens, Robert},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {269--275},\n}\n\n\n\n
\n
\n\n\n
\n A screening method for analyzing environmental waters contaminated with UV filters using direct analysis in real-time mass spectrometry (DART-MS) was developed. To demonstrate the suitability of DART-MS a test set of seven organic UV filters, namely benzophenone-3 (BP-3), ethylhexyl dimethyl p-aminobenzoate (OD-PABA), 4-t-butyl-4′-methoxydibenzoylmethane (BM-DBM), homomethyl salicylate (HMS), 2-(ethylhexyl) salicylate (EHS), octocrylene (OC), and 4-methylbenzylidene camphor (4-MBC), was defined. In the first step, standard solutions of the analytes prepared in methanol were investigated in order to determine optimum parameters for the DART-MS. Because of the very low concentrations of UV filters expected in environmental water samples, a pre-concentration step using stir bar sorptive extraction was performed. DART-MS allows the direct, simple and rapid semi-quantitative analysis of the analytes enriched on the surface of the polydimethylsiloxane-coated stir bars. The optimized method provided calibration curves with correlation coefficients R\\textgreater0.959, repeatability from 5% (for 4-MBC) to 30% (for BM-DBM) relative standard deviation and limits of detection lower than 40 ng L−1 for all analytes. Finally, real lake water samples from locations with typical leisure activities were analyzed. Results obtained with the developed DART-MS method were cross-checked by confirmatory analysis using thermodesorption gas chromatography mass spectrometry (TD-GC-MS). Thereby, it could be demonstrated that both analytical methods provide comparable concentrations for the UV filters in the lake water samples.\n
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\n \n\n \n \n \n \n \n \n Ricin Activity Assay by Direct Analysis in Real Time Mass Spectrometry Detection of Adenine Release.\n \n \n \n \n\n\n \n Bevilacqua, V. L. H.; Nilles, J. M.; Rice, J. S.; Connell, T. R.; Schenning, A. M.; Reilly, L. M.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 82(3): 798–800. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RicinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{bevilacqua_ricin_2010,\n\ttitle = {Ricin {Activity} {Assay} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} {Detection} of {Adenine} {Release}},\n\tvolume = {82},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac9025972},\n\tdoi = {10.1021/ac9025972},\n\tabstract = {Biotoxin activity assays typically involve multistep sample preparation, multicomponent reactions, multistep analysis, or a combination thereof. We report a single-step, real-time ricin activity assay that requires little or no sample preparation and employs direct analysis in real time mass spectrometry. The release of adenine from the inhomogeneous substrate herring sperm DNA by ricin was determined to be 53 ± 2 pmol adenine per picomole of ricin per hour. This procedure can be readily adapted to any enzyme for which a reactant or product of low molecular weight (up to ∼600) can be identified.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Bevilacqua, Vicky L. H. and Nilles, J. Michael and Rice, Jeffrey S. and Connell, Theresa R. and Schenning, Amanda M. and Reilly, Lisa M. and Durst, H. Dupont},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {798--800},\n}\n\n\n\n
\n
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\n Biotoxin activity assays typically involve multistep sample preparation, multicomponent reactions, multistep analysis, or a combination thereof. We report a single-step, real-time ricin activity assay that requires little or no sample preparation and employs direct analysis in real time mass spectrometry. The release of adenine from the inhomogeneous substrate herring sperm DNA by ricin was determined to be 53 ± 2 pmol adenine per picomole of ricin per hour. This procedure can be readily adapted to any enzyme for which a reactant or product of low molecular weight (up to ∼600) can be identified.\n
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\n \n\n \n \n \n \n \n Comparison of the Internal Energy Deposition of Direct Analysis in Real Time and Electrospray Ionization Time-of-Flight Mass Spectrometry.\n \n \n \n\n\n \n Harris, G. A.; Hostetler, D. M.; Hampton, C.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(5): 855–863. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{harris_comparison_2010,\n\ttitle = {Comparison of the {Internal} {Energy} {Deposition} of {Direct} {Analysis} in {Real} {Time} and {Electrospray} {Ionization} {Time}-of-{Flight} {Mass} {Spectrometry}},\n\tvolume = {21},\n\tdoi = {10.1016/j.jasms.2010.01.019},\n\tabstract = {The internal energy (Eint) distributions of a series of p-substituted benzylpyridinium ions generated by both direct analysis in real time (DART) and electrospray ionization (ESI) were compared using the “survival yield” method. DART mean Eint values at gas flow rates of 2, 4, and 6 L min−1, and at set temperatures of 175, 250, and 325 °C were in the 1.92–2.21 eV range. ESI mean Eint  at identical temperatures in aqueous and 50\\% methanol solutions ranged between 1.71 and 1.96 eV, and 1.53 and 1.63 eV, respectively. Although the results indicated that ESI is a “softer” ionization technique than DART, there was overlap between the two techniques for the particular time-of-flight mass spectrometer used. As a whole, there was an increase in Eint with increasing reactive and drying gas temperatures for DART and ESI, respectively, indicating thermal ion activation. Three dimensional computational fluid dynamic simulations in combination with direct temperature measurements within the DART ionization region revealed complex inversely coupled fluid-thermal phenomena affecting ion Eint values during atmospheric transport. Primarily, that DART gas temperature in the ionization region was appreciably less than the set gas temperature of DART due to the set gas flow rates. There was no evidence of Eint deposition pathways from metastable-stimulated desorption, but fragmentation induced by high-energy helium metastables was observed at the highest gas flow rates and temperatures.},\n\tnumber = {5},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Harris, G. A. and Hostetler, D. M. and Hampton, C.Y. and Fernández, F. M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {855--863},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n The internal energy (Eint) distributions of a series of p-substituted benzylpyridinium ions generated by both direct analysis in real time (DART) and electrospray ionization (ESI) were compared using the “survival yield” method. DART mean Eint values at gas flow rates of 2, 4, and 6 L min−1, and at set temperatures of 175, 250, and 325 °C were in the 1.92–2.21 eV range. ESI mean Eint at identical temperatures in aqueous and 50% methanol solutions ranged between 1.71 and 1.96 eV, and 1.53 and 1.63 eV, respectively. Although the results indicated that ESI is a “softer” ionization technique than DART, there was overlap between the two techniques for the particular time-of-flight mass spectrometer used. As a whole, there was an increase in Eint with increasing reactive and drying gas temperatures for DART and ESI, respectively, indicating thermal ion activation. Three dimensional computational fluid dynamic simulations in combination with direct temperature measurements within the DART ionization region revealed complex inversely coupled fluid-thermal phenomena affecting ion Eint values during atmospheric transport. Primarily, that DART gas temperature in the ionization region was appreciably less than the set gas temperature of DART due to the set gas flow rates. There was no evidence of Eint deposition pathways from metastable-stimulated desorption, but fragmentation induced by high-energy helium metastables was observed at the highest gas flow rates and temperatures.\n
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\n \n\n \n \n \n \n \n \n Small Molecule Ambient Mass Spectrometry Imaging by Infrared Laser Ablation Metastable-Induced Chemical Ionization.\n \n \n \n \n\n\n \n Galhena, A. S.; Harris, G. A.; Nyadong, L.; Murray, K. K.; and Fernández, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 82(6): 2178–2181. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"SmallPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{galhena_small_2010,\n\ttitle = {Small {Molecule} {Ambient} {Mass} {Spectrometry} {Imaging} by {Infrared} {Laser} {Ablation} {Metastable}-{Induced} {Chemical} {Ionization}},\n\tvolume = {82},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac902905v},\n\tdoi = {10.1021/ac902905v},\n\tabstract = {Presented here is a novel ambient ion source termed infrared laser ablation metastable-induced chemical ionization (IR-LAMICI). IR-LAMICI integrates IR laser ablation and direct analysis in real time (DART)-type metastable-induced chemical ionization for open air mass spectrometry (MS) ionization. The ion generation in the IR-LAMICI source is a two step process. First, IR laser pulses impinge the sample surface ablating surface material. Second, a portion of ablated material reacts with the metastable reactive plume facilitating gas-phase chemical ionization of analyte molecules generating protonated or deprotonated species in positive and negative ion modes, respectively. The successful coupling of IR-laser ablation with metastable-induced chemical ionization resulted in an ambient plasma-based spatially resolved small molecule imaging platform for mass spectrometry (MS). The analytical capabilities of IR-LAMICI are explored by imaging pharmaceutical tablets, screening counterfeit drugs, and probing algal tissue surfaces for natural products. The resolution of a chemical image is determined by the crater size produced with each laser pulse but not by the size of the metastable gas jet. The detection limits for an active pharmaceutical ingredient (acetaminophen) using the IR-LAMICI source is calculated to be low picograms. Furthermore, three-dimensional computational fluid dynamic simulations showed improvements in the IR-LAMICI ion source are possible.},\n\tnumber = {6},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Galhena, Asiri S. and Harris, Glenn A. and Nyadong, Leonard and Murray, Kermit K. and Fernández, Facundo M.},\n\tyear = {2010},\n\tkeywords = {Thermo Ion Trap},\n\tpages = {2178--2181},\n}\n\n\n\n
\n
\n\n\n
\n Presented here is a novel ambient ion source termed infrared laser ablation metastable-induced chemical ionization (IR-LAMICI). IR-LAMICI integrates IR laser ablation and direct analysis in real time (DART)-type metastable-induced chemical ionization for open air mass spectrometry (MS) ionization. The ion generation in the IR-LAMICI source is a two step process. First, IR laser pulses impinge the sample surface ablating surface material. Second, a portion of ablated material reacts with the metastable reactive plume facilitating gas-phase chemical ionization of analyte molecules generating protonated or deprotonated species in positive and negative ion modes, respectively. The successful coupling of IR-laser ablation with metastable-induced chemical ionization resulted in an ambient plasma-based spatially resolved small molecule imaging platform for mass spectrometry (MS). The analytical capabilities of IR-LAMICI are explored by imaging pharmaceutical tablets, screening counterfeit drugs, and probing algal tissue surfaces for natural products. The resolution of a chemical image is determined by the crater size produced with each laser pulse but not by the size of the metastable gas jet. The detection limits for an active pharmaceutical ingredient (acetaminophen) using the IR-LAMICI source is calculated to be low picograms. Furthermore, three-dimensional computational fluid dynamic simulations showed improvements in the IR-LAMICI ion source are possible.\n
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\n \n\n \n \n \n \n \n Applications of Direct Analysis in Real Time Mass Spectrometry (DART-MS) in Allium Chemistry. (Z)-Butanethial S-Oxide and 1-Butenyl Thiosulfinates and Their S-(E)-1-Butenylcysteine S-Oxide Precursor from Allium siculum.\n \n \n \n\n\n \n Kubec, R.; Cody, R.; Dane, A.; Musah, R.; Schraml, J.; Vattekkatte, A.; and Block, E.\n\n\n \n\n\n\n Journal of Agricultural and Food Chemistry, 58(2): 1121–1128. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kubec_applications_2010,\n\ttitle = {Applications of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) in {Allium} {Chemistry}. ({Z})-{Butanethial} {S}-{Oxide} and 1-{Butenyl} {Thiosulfinates} and {Their} {S}-({E})-1-{Butenylcysteine} {S}-{Oxide} {Precursor} from {Allium} siculum},\n\tvolume = {58},\n\tissn = {0021-8561},\n\tdoi = {10.1021/jf903733e},\n\tabstract = {Lachrymatory (Z)-butanethial S-oxide along with several 1-butenyl thiosulfinates was detected by DART mass spectrometry upon cutting Allium siculum, a popular ornamental Allium species used in some cultures as a spice. (Z)-Butanethial S-oxide isolated from the plant was shown to be identical to a synthetic sample. Its likely precursor, (RS,RC,E)-S-(1-butenyl)cysteine S-oxide (homoisoalliin), was isolated from homogenates of A. siculum, and a closely related species Allium tripedale, and fully characterized. Through use of LC-MS, a series of related γ-glutamyl derivatives were tentatively identified in A. siculum and A. tripedale homogenates, including γ-glutamyl-(E)-S-(1-butenyl)cysteine and its S-oxide, γ-glutamyl-S-butylcysteine and its S-oxide, and γ-glutamyl-S-methylcysteine and its S-oxide. Because compounds containing the 1-butenyl group have not been previously identified in genus Allium species, this work extends the range of known Allium sulfur compounds. The general applicability of DART mass spectrometry in identifying naturally occurring, thermally fragile thial S-oxides and thiosulfinates is illustrated with onion, Allium cepa, as well as a plant from a different genus, Petiveria alliacea.},\n\tnumber = {2},\n\tjournal = {Journal of Agricultural and Food Chemistry},\n\tauthor = {Kubec, R. and Cody, R.B. and Dane, A.J. and Musah, R.A. and Schraml, J. and Vattekkatte, A. and Block, E.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1121--1128},\n}\n\n\n\n
\n
\n\n\n
\n Lachrymatory (Z)-butanethial S-oxide along with several 1-butenyl thiosulfinates was detected by DART mass spectrometry upon cutting Allium siculum, a popular ornamental Allium species used in some cultures as a spice. (Z)-Butanethial S-oxide isolated from the plant was shown to be identical to a synthetic sample. Its likely precursor, (RS,RC,E)-S-(1-butenyl)cysteine S-oxide (homoisoalliin), was isolated from homogenates of A. siculum, and a closely related species Allium tripedale, and fully characterized. Through use of LC-MS, a series of related γ-glutamyl derivatives were tentatively identified in A. siculum and A. tripedale homogenates, including γ-glutamyl-(E)-S-(1-butenyl)cysteine and its S-oxide, γ-glutamyl-S-butylcysteine and its S-oxide, and γ-glutamyl-S-methylcysteine and its S-oxide. Because compounds containing the 1-butenyl group have not been previously identified in genus Allium species, this work extends the range of known Allium sulfur compounds. The general applicability of DART mass spectrometry in identifying naturally occurring, thermally fragile thial S-oxides and thiosulfinates is illustrated with onion, Allium cepa, as well as a plant from a different genus, Petiveria alliacea.\n
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\n \n\n \n \n \n \n \n Capabilities of direct analysis in real time mass spectrometry and gas chromatography-mass spectrometry in the mint oil test.\n \n \n \n\n\n \n Chernetsova, E. S.; Khomyakov, Y. Y.; Goryainov, S. V.; Ovcharov, M. V.; Bochkov, P. O.; Zatonsky, G. V.; Zhokhov, S. S.; and Abramovich, R. A.\n\n\n \n\n\n\n Mendeleev Communications, 20(5): 299–300. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{chernetsova_capabilities_2010,\n\ttitle = {Capabilities of direct analysis in real time mass spectrometry and gas chromatography-mass spectrometry in the mint oil test},\n\tvolume = {20},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry is compared to gas chromatography–mass spectrometry by the example of mint essential oil analysis.},\n\tnumber = {5},\n\tjournal = {Mendeleev Communications},\n\tauthor = {Chernetsova, Elena S. and Khomyakov, Yuri Yu. and Goryainov, Sergey V. and Ovcharov, Maxim V. and Bochkov, Pavel O. and Zatonsky, George V. and Zhokhov, Sergey S. and Abramovich, Rimma A.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {299--300},\n}\n\n\n\n\n\n\n\n
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\n Direct analysis in real time (DART) mass spectrometry is compared to gas chromatography–mass spectrometry by the example of mint essential oil analysis.\n
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\n \n\n \n \n \n \n \n \n Molecular Analysis of Primary Vapor and Char Products during Stepwise Pyrolysis of Poplar Biomass.\n \n \n \n \n\n\n \n Jones, R. W.; Reinot, T.; and McClelland, J. F.\n\n\n \n\n\n\n Energy & Fuels, 24(9): 5199–5209. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"MolecularPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{jones_molecular_2010,\n\ttitle = {Molecular {Analysis} of {Primary} {Vapor} and {Char} {Products} during {Stepwise} {Pyrolysis} of {Poplar} {Biomass}},\n\tvolume = {24},\n\turl = {http://dx.doi.org/10.1021/ef100655n},\n\tdoi = {10.1021/ef100655n},\n\tabstract = {Pyrolysis of biomass produces both pyrolysis oil and solid char. In this study, poplar has been pyrolyzed in a stepwise fashion over a series of temperatures from 200 to 500 °C, and both the primary products contributing to pyrolysis oil and the changes in the pyrolyzing poplar surface leading toward char have been characterized at each step. The primary products were identified by direct analysis in real time (DART) mass spectrometry, and the changes in the poplar surface were monitored using Fourier transform infrared (FTIR) photoacoustic spectroscopy, with a sampling depth of a few micrometers. The primary products from pyrolyzing cellulose, xylan, and lignin under similar conditions were also characterized to identify the sources of the poplar products.},\n\tnumber = {9},\n\tjournal = {Energy \\& Fuels},\n\tauthor = {Jones, Roger W. and Reinot, Tonu and McClelland, John F.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {5199--5209},\n}\n\n\n\n
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\n Pyrolysis of biomass produces both pyrolysis oil and solid char. In this study, poplar has been pyrolyzed in a stepwise fashion over a series of temperatures from 200 to 500 °C, and both the primary products contributing to pyrolysis oil and the changes in the pyrolyzing poplar surface leading toward char have been characterized at each step. The primary products were identified by direct analysis in real time (DART) mass spectrometry, and the changes in the poplar surface were monitored using Fourier transform infrared (FTIR) photoacoustic spectroscopy, with a sampling depth of a few micrometers. The primary products from pyrolyzing cellulose, xylan, and lignin under similar conditions were also characterized to identify the sources of the poplar products.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time Ion Source.\n \n \n \n\n\n \n Cody, R. B.; and Dane, A. J.\n\n\n \n\n\n\n In Meyers, R. A., editor(s), Encyclopedia of Analytical Chemistry. John Wiley & Sons, Ltd., Published online: December 15, 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@incollection{cody_direct_2010,\n\taddress = {Published online: December 15},\n\ttitle = {Direct {Analysis} in {Real} {Time} {Ion} {Source}},\n\tisbn = {978-0-470-02731-8},\n\tabstract = {Direct Analysis in Real Time (DARTTM) refers to an atmospheric-pressure “open-air” ion source that is based on the interaction of long-lived (“metastable”) excited-state neutral atoms or molecules with analytes and atmospheric gases. The DART source is used for the rapid analysis of liquids, solids, vapors, or materials on surfaces in open air with little or no sample preparation.},\n\tbooktitle = {Encyclopedia of {Analytical} {Chemistry}},\n\tpublisher = {John Wiley \\& Sons, Ltd.},\n\tauthor = {Cody, Robert B. and Dane, A. John},\n\teditor = {Meyers, Robert A.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DARTTM) refers to an atmospheric-pressure “open-air” ion source that is based on the interaction of long-lived (“metastable”) excited-state neutral atoms or molecules with analytes and atmospheric gases. The DART source is used for the rapid analysis of liquids, solids, vapors, or materials on surfaces in open air with little or no sample preparation.\n
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\n \n\n \n \n \n \n \n Applications of Direct Analysis in Real Time Mass Spectrometry (DART-MS) in Allium Chemistry. 2-Propenesulfenic and 2-Propenesulfinic Acids, Diallyl Trisulfane S-Oxide, and Other Reactive Sulfur Compounds from Crushed Garlic and Other Alliums.\n \n \n \n\n\n \n Block, E.; Dane, A.; Thomas, S.; and Cody, R.\n\n\n \n\n\n\n Journal of Agricultural and Food Chemistry, 58(8): 4617–4625. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{block_applications_2010,\n\ttitle = {Applications of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) in {Allium} {Chemistry}. 2-{Propenesulfenic} and 2-{Propenesulfinic} {Acids}, {Diallyl} {Trisulfane} {S}-{Oxide}, and {Other} {Reactive} {Sulfur} {Compounds} from {Crushed} {Garlic} and {Other} {Alliums}},\n\tvolume = {58},\n\tdoi = {10.1021/jf1000106},\n\tabstract = {Through the use of direct analysis in real time mass spectrometry (DART-MS), 2-propenesulfenic acid, an intermediate long postulated as being formed when garlic (Allium sativum) is crushed, has been detected for the first time and determined by mass spectrometric methods to have a half-life of {\\textless}1 s at room temperature. Two other key intermediates, 2-propenesulfinic acid and diallyl trisulfane S-oxide, have also been detected for the first time in volatiles from crushed garlic, along with allicin and related thiosulfinates, allyl alcohol, sulfur dioxide, propene, and pyruvate as coproducts. A commercial dietary supplement containing garlic powder, which was sampled after crushing, was found to contain alliin, methiin, and S-allylcysteine and produced allicin upon addition of water. DART-MS detection of 1-butenesulfenic acid from the ornamental A. siculum is also reported. (Z)-Propanethial S-oxide (onion lachrymatory factor), absent in garlic, is found to be formed from crushed elephant garlic (Allium ampeloprasum), consistent with the classification of this plant as a closer relative of leek than of garlic. Mixtures of thiosulfinates, lachrymatory thial S-oxides, and related compounds are directly observed from crushed leek (Allium porrum) and Chinese chive (Allium tuberosum). Disulfanes and polysulfanes are detected only when the Allium samples are heated, consistent with earlier conclusions that these are not primary products from cut or crushed alliums.},\n\tnumber = {8},\n\tjournal = {Journal of Agricultural and Food Chemistry},\n\tauthor = {Block, E. and Dane, A.J. and Thomas, S. and Cody, R.B.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {4617--4625},\n}\n\n\n\n
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\n Through the use of direct analysis in real time mass spectrometry (DART-MS), 2-propenesulfenic acid, an intermediate long postulated as being formed when garlic (Allium sativum) is crushed, has been detected for the first time and determined by mass spectrometric methods to have a half-life of \\textless1 s at room temperature. Two other key intermediates, 2-propenesulfinic acid and diallyl trisulfane S-oxide, have also been detected for the first time in volatiles from crushed garlic, along with allicin and related thiosulfinates, allyl alcohol, sulfur dioxide, propene, and pyruvate as coproducts. A commercial dietary supplement containing garlic powder, which was sampled after crushing, was found to contain alliin, methiin, and S-allylcysteine and produced allicin upon addition of water. DART-MS detection of 1-butenesulfenic acid from the ornamental A. siculum is also reported. (Z)-Propanethial S-oxide (onion lachrymatory factor), absent in garlic, is found to be formed from crushed elephant garlic (Allium ampeloprasum), consistent with the classification of this plant as a closer relative of leek than of garlic. Mixtures of thiosulfinates, lachrymatory thial S-oxides, and related compounds are directly observed from crushed leek (Allium porrum) and Chinese chive (Allium tuberosum). Disulfanes and polysulfanes are detected only when the Allium samples are heated, consistent with earlier conclusions that these are not primary products from cut or crushed alliums.\n
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\n \n\n \n \n \n \n \n Recognition of beer brand based on multivariate analysis of volatile fingerprint.\n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1217(25): 4195–4203. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cajka_recognition_2010,\n\ttitle = {Recognition of beer brand based on multivariate analysis of volatile fingerprint},\n\tvolume = {1217},\n\tdoi = {10.1016/j.chroma.2009.12.049},\n\tabstract = {Automated head-space solid-phase microextraction (HS-SPME)-based sampling procedure, coupled to gas chromatography-time-of-flight mass spectrometry (GC-TOFMS), was developed and employed for obtaining of fingerprints (GC profiles) of beer volatiles. In total, 265 speciality beer samples were collected over a 1-year period with the aim to distinguish, based on analytical (profiling) data, (i) the beers labelled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. For the chemometric evaluation of the data, partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) were tested. The best prediction ability was obtained for the model that distinguished a group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided 100\\% correct classification. Slightly worse prediction abilities were achieved for the models "Trappist vs. non-Trappist beers" with the values of 93.9\\% (PLS-DA), 91.9\\% (LDA) and 97.0\\% (ANN-MLP) and "Rochefort 8 vs. the rest" with the values of 87.9\\% (PLS-DA) and 84.8\\% (LDA) and 93.9\\% (ANN-MLP). In addition to chromatographic profiling, also the potential of direct coupling of SPME (extraction/pre-concentration device) with high-resolution TOFMS employing a direct analysis in real time (DART) ion source has been demonstrated as a challenging profiling approach.},\n\tnumber = {25},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Cajka, T. and Riddellova, K. and Tomaniova, M. and Hajslova, J.},\n\tyear = {2010},\n\tkeywords = {DART; AccuTOF},\n\tpages = {4195--4203},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Automated head-space solid-phase microextraction (HS-SPME)-based sampling procedure, coupled to gas chromatography-time-of-flight mass spectrometry (GC-TOFMS), was developed and employed for obtaining of fingerprints (GC profiles) of beer volatiles. In total, 265 speciality beer samples were collected over a 1-year period with the aim to distinguish, based on analytical (profiling) data, (i) the beers labelled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. For the chemometric evaluation of the data, partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) were tested. The best prediction ability was obtained for the model that distinguished a group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided 100% correct classification. Slightly worse prediction abilities were achieved for the models \"Trappist vs. non-Trappist beers\" with the values of 93.9% (PLS-DA), 91.9% (LDA) and 97.0% (ANN-MLP) and \"Rochefort 8 vs. the rest\" with the values of 87.9% (PLS-DA) and 84.8% (LDA) and 93.9% (ANN-MLP). In addition to chromatographic profiling, also the potential of direct coupling of SPME (extraction/pre-concentration device) with high-resolution TOFMS employing a direct analysis in real time (DART) ion source has been demonstrated as a challenging profiling approach.\n
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\n \n\n \n \n \n \n \n The use of DART mass spectrometry for express confirmation of empirical formulas of heterocyclic compounds.\n \n \n \n\n\n \n Chernetsova, E.; Ovcharov, M.; Khomyakov, Y. Y.; Bochkov, P.; and Varlamov, A.\n\n\n \n\n\n\n Russian Chemical Bulletin, 59(10): 2014–2015. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_use_2010,\n\ttitle = {The use of {DART} mass spectrometry for express confirmation of empirical formulas of heterocyclic compounds},\n\tvolume = {59},\n\tabstract = {The results of studying the possibility of using DART spectrometry with a time-of-flight mass analyzer to confirm the elemental composition of heterocyclic compounds are presented. The method makes it possible to rapidly determine the molecular weight and to calculate the empirical formula of organic synthesis product.},\n\tnumber = {10},\n\tjournal = {Russian Chemical Bulletin},\n\tauthor = {Chernetsova, E.S. and Ovcharov, M.V. and Khomyakov, Yu. Yu. and Bochkov, P.O. and Varlamov, A.V.},\n\tyear = {2010},\n\tkeywords = {DART mass spectrometry; heterocyclic compounds; AccuTOF},\n\tpages = {2014--2015},\n}\n\n\n\n
\n
\n\n\n
\n The results of studying the possibility of using DART spectrometry with a time-of-flight mass analyzer to confirm the elemental composition of heterocyclic compounds are presented. The method makes it possible to rapidly determine the molecular weight and to calculate the empirical formula of organic synthesis product.\n
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\n \n\n \n \n \n \n \n \n The coupling of direct analysis in real time ionization to Fourier transform ion cyclotron resonance mass spectrometry for ultrahigh-resolution mass analysis.\n \n \n \n \n\n\n \n Rummel, J. L.; McKenna, A. M.; Marshall, A. G.; Eyler, J. R.; and Powell, D. H.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(6): 784–790. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{rummel_coupling_2010,\n\ttitle = {The coupling of direct analysis in real time ionization to {Fourier} transform ion cyclotron resonance mass spectrometry for ultrahigh-resolution mass analysis},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4450},\n\tdoi = {10.1002/rcm.4450},\n\tabstract = {Direct Analysis in Real Time (DART) is an ambient ionization technique for mass spectrometry that provides rapid and sensitive analyses with little or no sample preparation. DART has been reported primarily for mass analyzers of low to moderate resolving power such as quadrupole ion traps and time-of-flight (TOF) mass spectrometers. In the current work, a custom-built DART source has been successfully coupled to two different Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers for the first time. Comparison of spectra of the isobaric compounds, diisopropyl methylphosphonate and theophylline, acquired by 4.7 T FT-ICR MS and TOF MS, demonstrates that the TOF resolving power can be insufficient for compositionally complex samples. 9.4 T FT-ICR MS yielded the highest mass resolving power yet reported with DART ionization for 1,2-benzanthracene and 9,10-diphenylanthracene. Polycyclic aromatic hydrocarbons exhibit a spatial dependence in ionization mechanisms between the DART source and the mass spectrometer. The feasibility of analyzing a variety of samples was established with the introduction and analysis of food products and crude oil samples. DART FT-ICR MS provides complex sample analysis that is rapid, highly selective and information-rich, but limited to relatively low-mass analytes. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {6},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rummel, Julia L. and McKenna, Amy M. and Marshall, Alan G. and Eyler, John R. and Powell, David H.},\n\tyear = {2010},\n\tkeywords = {FT-ICR},\n\tpages = {784--790},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART) is an ambient ionization technique for mass spectrometry that provides rapid and sensitive analyses with little or no sample preparation. DART has been reported primarily for mass analyzers of low to moderate resolving power such as quadrupole ion traps and time-of-flight (TOF) mass spectrometers. In the current work, a custom-built DART source has been successfully coupled to two different Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers for the first time. Comparison of spectra of the isobaric compounds, diisopropyl methylphosphonate and theophylline, acquired by 4.7 T FT-ICR MS and TOF MS, demonstrates that the TOF resolving power can be insufficient for compositionally complex samples. 9.4 T FT-ICR MS yielded the highest mass resolving power yet reported with DART ionization for 1,2-benzanthracene and 9,10-diphenylanthracene. Polycyclic aromatic hydrocarbons exhibit a spatial dependence in ionization mechanisms between the DART source and the mass spectrometer. The feasibility of analyzing a variety of samples was established with the introduction and analysis of food products and crude oil samples. DART FT-ICR MS provides complex sample analysis that is rapid, highly selective and information-rich, but limited to relatively low-mass analytes. Copyright © 2010 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of stabilisers in polypropylene using time-of-flight mass spectrometry and DART as ion source.\n \n \n \n \n\n\n \n Haunschmidt, M.; Klampfl, C. W.; Buchberger, W.; and Hertsens, R.\n\n\n \n\n\n\n The Analyst, 135(1): 80. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_rapid_2010,\n\ttitle = {Rapid identification of stabilisers in polypropylene using time-of-flight mass spectrometry and {DART} as ion source},\n\tvolume = {135},\n\tissn = {0003-2654, 1364-5528},\n\turl = {http://xlink.rsc.org/?DOI=b911040b},\n\tdoi = {10.1039/b911040b},\n\tabstract = {A method for analysing plastic samples without any sample pretreatment using direct analysis in real time mass spectrometry (DART-MS) was developed. DART-MS allows the direct, simple and rapid identification of polymer additives in plastic products. To demonstrate the suitability of DART-MS for the detection of a wide range of commonly employed stabilising agents, a test set of 21 stabilisers was selected. In a first step standard solutions of these stabilisers in toluene as well as toluene-extracts from polymer samples were analysed. Subsequently, to prove the applicability of the developed DART-MS method also for the direct analysis of plastic products, samples of polypropylene containing a range of stabilisers were prepared using a lab-scale compounder. Polymer samples were cut into 0.5 cm wide pieces and directly placed into the DART ion source. Focusing on the DART ionisation, several parameters like discharge needle potential, potential of the grid electrode and the discharge electrode, the heater temperature and the gas flow had to be varied to guarantee optimum results. Both positive and negative ionisation was tested, whereby the positive ion mode led to higher signal intensities for all analytes. Determination of accurate masses to improve the certainty in signal assignment could be achieved by using PEG 600 as an internal standard for mass calibration. The developed method allowed the detection of all selected additives (including some of their degradation products) in real polymer samples.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {The Analyst},\n\tauthor = {Haunschmidt, Manuela and Klampfl, Christian W. and Buchberger, Wolfgang and Hertsens, Robert},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {80},\n}\n\n\n\n
\n
\n\n\n
\n A method for analysing plastic samples without any sample pretreatment using direct analysis in real time mass spectrometry (DART-MS) was developed. DART-MS allows the direct, simple and rapid identification of polymer additives in plastic products. To demonstrate the suitability of DART-MS for the detection of a wide range of commonly employed stabilising agents, a test set of 21 stabilisers was selected. In a first step standard solutions of these stabilisers in toluene as well as toluene-extracts from polymer samples were analysed. Subsequently, to prove the applicability of the developed DART-MS method also for the direct analysis of plastic products, samples of polypropylene containing a range of stabilisers were prepared using a lab-scale compounder. Polymer samples were cut into 0.5 cm wide pieces and directly placed into the DART ion source. Focusing on the DART ionisation, several parameters like discharge needle potential, potential of the grid electrode and the discharge electrode, the heater temperature and the gas flow had to be varied to guarantee optimum results. Both positive and negative ionisation was tested, whereby the positive ion mode led to higher signal intensities for all analytes. Determination of accurate masses to improve the certainty in signal assignment could be achieved by using PEG 600 as an internal standard for mass calibration. The developed method allowed the detection of all selected additives (including some of their degradation products) in real polymer samples.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of additives in poly(vinyl chloride) lid gaskets by direct analysis in real time ionisation and single-quadrupole mass spectrometry.\n \n \n \n \n\n\n \n Rothenbacher, T.; and Schwack, W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(1): 21–29. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{rothenbacher_rapid_2010,\n\ttitle = {Rapid identification of additives in poly(vinyl chloride) lid gaskets by direct analysis in real time ionisation and single-quadrupole mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4350},\n\tdoi = {10.1002/rcm.4350},\n\tabstract = {Gaskets for lids of glass jars usually consist of poly(vinyl chloride) (PVC) containing plasticisers and additional additives, which may migrate into packed foodstuffs. To conform to legal regulations, any such migration has to be determined analytically, which is a big challenge due to the huge chemical variety of additives in use. Therefore, a rapid screening method by means of direct analysis in real time mass spectrometry (DART-MS), using a single-quadrupole mass spectrometer, was developed. On introducing a plastisol sample into the DART interface, protonated molecules and ammonium adducts were obtained as the typical ionisation products of any additives present, and cleavages of ester bonds as typical fragmentation processes. Generally, additives present in the 1\\% range could be directly and easily identified if ion suppressive effects deriving from specific molecules did not occur. These effects could be avoided by analysing toluene extracts of plastisol samples, and this also improved the sensivity. Using this method, it was possible to identify phthalates, fatty acid amides, tributyl O-acetylcitrate, dibutyl sebacate, bis(2-ethylhexyl) adipate, 1,2-diisononyl 1,2-cyclohexanedicarboxylate, and even more complex additives like acetylated mono- and diacylglycerides, epoxidised soybean oil, and polyadipates, with a limit of detection of ≤1\\% in PVC plastisols. Only in the case of epoxidised linseed oil were levels of ≥5\\% required for identification. The detection of azodicarbonamide, used as a foaming agent within the manufacturing process, was possible in principle, but was not highly reproducible due to the very low concentrations in plastisols. Copyright © 2009 John Wiley \\& Sons, Ltd.},\n\tnumber = {1},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rothenbacher, Thorsten and Schwack, Wolfgang},\n\tyear = {2010},\n\tkeywords = {Agilent Quad},\n\tpages = {21--29},\n}\n\n\n\n
\n
\n\n\n
\n Gaskets for lids of glass jars usually consist of poly(vinyl chloride) (PVC) containing plasticisers and additional additives, which may migrate into packed foodstuffs. To conform to legal regulations, any such migration has to be determined analytically, which is a big challenge due to the huge chemical variety of additives in use. Therefore, a rapid screening method by means of direct analysis in real time mass spectrometry (DART-MS), using a single-quadrupole mass spectrometer, was developed. On introducing a plastisol sample into the DART interface, protonated molecules and ammonium adducts were obtained as the typical ionisation products of any additives present, and cleavages of ester bonds as typical fragmentation processes. Generally, additives present in the 1% range could be directly and easily identified if ion suppressive effects deriving from specific molecules did not occur. These effects could be avoided by analysing toluene extracts of plastisol samples, and this also improved the sensivity. Using this method, it was possible to identify phthalates, fatty acid amides, tributyl O-acetylcitrate, dibutyl sebacate, bis(2-ethylhexyl) adipate, 1,2-diisononyl 1,2-cyclohexanedicarboxylate, and even more complex additives like acetylated mono- and diacylglycerides, epoxidised soybean oil, and polyadipates, with a limit of detection of ≤1% in PVC plastisols. Only in the case of epoxidised linseed oil were levels of ≥5% required for identification. The detection of azodicarbonamide, used as a foaming agent within the manufacturing process, was possible in principle, but was not highly reproducible due to the very low concentrations in plastisols. Copyright © 2009 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Selective ionization of melamine in powdered milk by using argon direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Dane, A. J.; and Cody, R. B.\n\n\n \n\n\n\n Analyst, 135(4): 696–699. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{dane_selective_2010,\n\ttitle = {Selective ionization of melamine in powdered milk by using argon direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {135},\n\tdoi = {10.1039/B923561B},\n\tabstract = {5-Hydroxymethylfurfural (5-HMF) is a compound with the elemental composition C6H6O3 that is present in powdered milk. Protonated 5-HMF (calculated m/z 127.0395) has the same nominal m/z as protonated melamine (calculated m/z 127.0732) and can interfere with direct analysis of melamine in powdered milk. Tandem mass spectrometry and high-resolution mass spectrometry have been previously used to distinguish melamine from 5-HMF. An alternative approach is presented here that uses the direct analysis in real time (DART) ion source operated with argon gas in combination with acetylacetone and pyridine reagent gases to selectively ionize melamine and eliminate the interference from 5-HMF. High-resolution/accurate mass data were used to verify the elimination of the 5-HMF interference and confirm the melamine elemental composition. With further refinement, this technique could lead to a rapid analysis method for screening large numbers of samples.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Dane, A. John and Cody, R. B.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {696--699},\n}\n\n\n\n
\n
\n\n\n
\n 5-Hydroxymethylfurfural (5-HMF) is a compound with the elemental composition C6H6O3 that is present in powdered milk. Protonated 5-HMF (calculated m/z 127.0395) has the same nominal m/z as protonated melamine (calculated m/z 127.0732) and can interfere with direct analysis of melamine in powdered milk. Tandem mass spectrometry and high-resolution mass spectrometry have been previously used to distinguish melamine from 5-HMF. An alternative approach is presented here that uses the direct analysis in real time (DART) ion source operated with argon gas in combination with acetylacetone and pyridine reagent gases to selectively ionize melamine and eliminate the interference from 5-HMF. High-resolution/accurate mass data were used to verify the elimination of the 5-HMF interference and confirm the melamine elemental composition. With further refinement, this technique could lead to a rapid analysis method for screening large numbers of samples.\n
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\n \n\n \n \n \n \n \n Allium chemistry: Use of new instrumental techniques to “see” reactive organosulfur species formed upon crushing garlic and onion.\n \n \n \n\n\n \n Block, E.; Cody, R.; Dane, A.; Sheridan, R.; Vattekkatte, A.; and Wang, K.\n\n\n \n\n\n\n Pure and Applied Chemistry, 82(3): 535–539. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{block_allium_2010,\n\ttitle = {Allium chemistry: {Use} of new instrumental techniques to “see” reactive organosulfur species formed upon crushing garlic and onion},\n\tvolume = {82},\n\tdoi = {10.1351/PAC-CON-09-08-12},\n\tabstract = {Three different instrumental methods have been used to examine the organosulfur chemistry of intact and cut garlic and onions: X-ray fluorescence spectroscopic imaging (XFS), direct analysis in real time (DART) mass spec-trometry, and ultra-performance liquid chromatography-(Ag+)-coordination ion spray mass spectrometry (UPLC–(Ag+)CIS–MS). The first technique has been used to map the location of different chemical forms of sulfur in intact and damaged onion cells, the second technique, to identify the reactive, volatile sulfur compounds formed on cutting the plants, and the third technique, to identify members of families of polysulfides  found in the distilled oil of garlic.},\n\tnumber = {3},\n\tjournal = {Pure and Applied Chemistry},\n\tauthor = {Block, E. and Cody, R.B. and Dane, A.J. and Sheridan, R. and Vattekkatte, A. and Wang, K.},\n\tyear = {2010},\n\tkeywords = {direct analysis in real time; garlic; mass spectrometry; onion; sulfur compounds; ultra-performance liquid chromatography; X-ray fluorescence spectroscopy, AccuTOF},\n\tpages = {535--539},\n}\n\n\n\n
\n
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\n Three different instrumental methods have been used to examine the organosulfur chemistry of intact and cut garlic and onions: X-ray fluorescence spectroscopic imaging (XFS), direct analysis in real time (DART) mass spec-trometry, and ultra-performance liquid chromatography-(Ag+)-coordination ion spray mass spectrometry (UPLC–(Ag+)CIS–MS). The first technique has been used to map the location of different chemical forms of sulfur in intact and damaged onion cells, the second technique, to identify the reactive, volatile sulfur compounds formed on cutting the plants, and the third technique, to identify members of families of polysulfides found in the distilled oil of garlic.\n
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\n \n\n \n \n \n \n \n Profiling of Piper betle Linn. cultivars by direct analysis in real time mass spectrometric technique.\n \n \n \n\n\n \n Bajpai, V.; Sharma, D.; Kumar, B.; and Madhusudanan, K. P.\n\n\n \n\n\n\n Biomedical Chromatography, 24(12): 1283–1286. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{bajpai_profiling_2010,\n\ttitle = {Profiling of {Piper} betle {Linn}. cultivars by direct analysis in real time mass spectrometric technique},\n\tvolume = {24},\n\tdoi = {10.1002/bmc.1437},\n\tabstract = {Piper betle Linn. is a traditional plant associated with the Asian and southeast Asian cultures. Its use is also recorded in folk medicines in these regions. Several of its medicinal properties have recently been proven. Phytochemical analysis showed the presence of mainly terpenes and phenols in betel leaves. These constituents vary in the different cultivars of Piper betle. In this paper we have attempted to profile eight locally available betel cultivars using the recently developed mass spectral ionization technique of direct analysis in real time (DART). Principal component analysis has also been employed to analyze the DART MS data of these betel cultivars. The results show that the cultivars of Piper betle could be differentiated using DART MS data.},\n\tnumber = {12},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Bajpai, Vikas and Sharma, Deepty and Kumar, Brijesh and Madhusudanan, K. P.},\n\tyear = {2010},\n\tkeywords = {DARTMS; Piper betle L; cultivars; profiling; PCA; AccuTOF},\n\tpages = {1283--1286},\n}\n\n\n\n
\n
\n\n\n
\n Piper betle Linn. is a traditional plant associated with the Asian and southeast Asian cultures. Its use is also recorded in folk medicines in these regions. Several of its medicinal properties have recently been proven. Phytochemical analysis showed the presence of mainly terpenes and phenols in betel leaves. These constituents vary in the different cultivars of Piper betle. In this paper we have attempted to profile eight locally available betel cultivars using the recently developed mass spectral ionization technique of direct analysis in real time (DART). Principal component analysis has also been employed to analyze the DART MS data of these betel cultivars. The results show that the cultivars of Piper betle could be differentiated using DART MS data.\n
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\n \n\n \n \n \n \n \n Analysis of multiple mycotoxins in cereals under ambient conditions using direct analysis in real time (DART) ionization coupled to high resolution mass spectrometry.\n \n \n \n\n\n \n Vaclavik, L.; Zachariasova, M.; Hrbek, V.; and Hajslova, J.\n\n\n \n\n\n\n Talanta, 82(5): 1950–1957. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_analysis_2010,\n\ttitle = {Analysis of multiple mycotoxins in cereals under ambient conditions using direct analysis in real time ({DART}) ionization coupled to high resolution mass spectrometry},\n\tvolume = {82},\n\tabstract = {Direct analysis in real time (DART) ionization coupled to an (ultra)high resolution mass spectrometer based on orbitrap technology (orbitrapMS) was used for rapid quantitative analysis of multiple mycotoxins isolated from wheat and maize by modified QuEChERS procedure. After initial evaluation of ionization efficiencies for major groups of mycotoxins achievable with DART technology, sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of most intensively ionizing toxins (deoxynivalenol, nivalenol, zearalenon, actyldeoxynivalenol, deepoxy-deoxynivalenol, fusarenon-X, altenuene, alternariol, alternariolmethylether, diacetoxyscirpenol,\nsterigmatocystin). The lowest calibration levels (LCLs) estimated for the respective analytes ranged from 50 to 150 [mu]g kg-1. Quantitative\nanalysis was performed either with the use of matrix-matched standards or by employing commercially available 13C-labeled internal standards\n(available for deoxynivalenol, nivalenol and zearalenon). Good recoveries (100-108\\%) and repeatabilities (RSD 5.4-6.9\\%) were obtained\nat spiking level 500 [mu]g kg-1 with isotope dilution technique. Based on matrix-matched calibration, recoveries and repeatabilities were in\nthe range 84-118\\% and 7.9-12.0\\% (RSD), respectively. The trueness of data obtained for deoxynivalenol and zearalenon in wheat/maize by DART-orbitrapMS was demonstrated by analysis of certified reference materials (CRMs). Good agreement of these results with data generated\nby validated ultra-high pressure liquid chromatography-time-of-flight mass spectrometry method was documented.},\n\tnumber = {5},\n\tjournal = {Talanta},\n\tauthor = {Vaclavik, Lukas and Zachariasova, Milena and Hrbek, Vojtech and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Orbitrap},\n\tpages = {1950--1957},\n}\n\n\n\n
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\n Direct analysis in real time (DART) ionization coupled to an (ultra)high resolution mass spectrometer based on orbitrap technology (orbitrapMS) was used for rapid quantitative analysis of multiple mycotoxins isolated from wheat and maize by modified QuEChERS procedure. After initial evaluation of ionization efficiencies for major groups of mycotoxins achievable with DART technology, sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of most intensively ionizing toxins (deoxynivalenol, nivalenol, zearalenon, actyldeoxynivalenol, deepoxy-deoxynivalenol, fusarenon-X, altenuene, alternariol, alternariolmethylether, diacetoxyscirpenol, sterigmatocystin). The lowest calibration levels (LCLs) estimated for the respective analytes ranged from 50 to 150 [mu]g kg-1. Quantitative analysis was performed either with the use of matrix-matched standards or by employing commercially available 13C-labeled internal standards (available for deoxynivalenol, nivalenol and zearalenon). Good recoveries (100-108%) and repeatabilities (RSD 5.4-6.9%) were obtained at spiking level 500 [mu]g kg-1 with isotope dilution technique. Based on matrix-matched calibration, recoveries and repeatabilities were in the range 84-118% and 7.9-12.0% (RSD), respectively. The trueness of data obtained for deoxynivalenol and zearalenon in wheat/maize by DART-orbitrapMS was demonstrated by analysis of certified reference materials (CRMs). Good agreement of these results with data generated by validated ultra-high pressure liquid chromatography-time-of-flight mass spectrometry method was documented.\n
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\n \n\n \n \n \n \n \n Investigations on the Coupling of High-Performance Liquid Chromatography to Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Eberherr, W.; Buchberger, W.; Hertsens, R.; and Klampfl, C.\n\n\n \n\n\n\n Analytical Chemistry, 82(13): 5792–5796. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{eberherr_investigations_2010,\n\ttitle = {Investigations on the {Coupling} of {High}-{Performance} {Liquid} {Chromatography} to {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {82},\n\tdoi = {10.1021/ac1008496},\n\tabstract = {A novel hyphenated technique namely the combination of HPLC with direct analysis in real time (DART) mass spectrometry (MS) is presented. The coupling of HPLC to DART-MS was achieved by a simple interface design with a capillary end piece transferring the HPLC effluent to the ionization region of the DART. Flow rates (0.3−1.6 mL min−1) and inner diameters of the capillary (50−150 μm) were harmonized to provide a stable liquid jet. Ionization-related parameters optimized included positioning of the capillary end piece with respect to He outlet of the ionization source and the MS inlet, He heater temperature and He flow rate. Among DART-MS voltages, the grid electrode voltage proved to have the most pronounced effect on signal intensities. A major benefit of this setup is the possibility to employ (commonly not MS-compatible) HPLC eluents such as phosphate buffers up to a phosphate concentration of 120 mM even at typical HPLC flow rates such as 1 mL min−1  and above without negative side effects like contamination of the ion source or ion suppression. Experiments evaluating the correlation of signal intensity to mass-flow and concentration revealed that DART-MS can be seen as a mass flow sensitive detector. The usability of this hyphenated technique has been tested on the example of four parabenes (measured in the negative ion mode) as well as a set of pyrazine derivatives (measured in the positive ion mode). For the parabenes limits of detection (LOD) in the range of 20−55 μg L−1 and linear ranges from at least 200−10000 μg L−1 with correlation coefficients better than 0.997 were obtained.},\n\tnumber = {13},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Eberherr, W. and Buchberger, W. and Hertsens, R. and Klampfl, C.W.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {5792--5796},\n}\n\n\n\n
\n
\n\n\n
\n A novel hyphenated technique namely the combination of HPLC with direct analysis in real time (DART) mass spectrometry (MS) is presented. The coupling of HPLC to DART-MS was achieved by a simple interface design with a capillary end piece transferring the HPLC effluent to the ionization region of the DART. Flow rates (0.3−1.6 mL min−1) and inner diameters of the capillary (50−150 μm) were harmonized to provide a stable liquid jet. Ionization-related parameters optimized included positioning of the capillary end piece with respect to He outlet of the ionization source and the MS inlet, He heater temperature and He flow rate. Among DART-MS voltages, the grid electrode voltage proved to have the most pronounced effect on signal intensities. A major benefit of this setup is the possibility to employ (commonly not MS-compatible) HPLC eluents such as phosphate buffers up to a phosphate concentration of 120 mM even at typical HPLC flow rates such as 1 mL min−1 and above without negative side effects like contamination of the ion source or ion suppression. Experiments evaluating the correlation of signal intensity to mass-flow and concentration revealed that DART-MS can be seen as a mass flow sensitive detector. The usability of this hyphenated technique has been tested on the example of four parabenes (measured in the negative ion mode) as well as a set of pyrazine derivatives (measured in the positive ion mode). For the parabenes limits of detection (LOD) in the range of 20−55 μg L−1 and linear ranges from at least 200−10000 μg L−1 with correlation coefficients better than 0.997 were obtained.\n
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\n \n\n \n \n \n \n \n \n Transmission-mode direct analysis in real time and desorption electrospray ionization mass spectrometry of insecticide-treated bednets for malaria control.\n \n \n \n \n\n\n \n Perez, J. J.; Harris, G. A.; Chipuk, J. E.; Brodbelt, J. S.; Green, M. D.; Hampton, C. Y.; and Fernandez, F. M.\n\n\n \n\n\n\n Analyst, 135(4): 712–719. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"Transmission-modePaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{perez_transmission-mode_2010,\n\ttitle = {Transmission-mode direct analysis in real time and desorption electrospray ionization mass spectrometry of insecticide-treated bednets for malaria control},\n\tvolume = {135},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/B924533B},\n\tabstract = {Transmission-mode direct analysis in real time (TM-DART) is presented as an alternative sampling strategy to traditional methods of sample introduction for DART MS analysis. A custom-designed sample holder was fabricated to rapidly and reproducibly position insecticide-treated nets normal to the ionizing metastable gas stream, enabling transmission of desorbed analyte ions through the holder cavity and into the MS. Introduction of the sample at this fixed geometry eliminates the need for optimizing sample position and allows spectra based on factors such as metastable gas temperature and flow to be systematically evaluated. The results presented here, supported by computational fluid dynamic simulations, demonstrate the effects of these factors on the resulting mass spectra and the potential of this sampling strategy to be used for qualitative and quantitative analyses. Transmission-mode desorption electrospray ionization (TM-DESI) experiments on similar insecticide-treated nets were performed for comparison purposes.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Perez, Jose J. and Harris, Glenn A. and Chipuk, Joseph E. and Brodbelt, Jennifer S. and Green, Michael D. and Hampton, Christina Y. and Fernandez, Facundo M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {712--719},\n}\n\n\n\n
\n
\n\n\n
\n Transmission-mode direct analysis in real time (TM-DART) is presented as an alternative sampling strategy to traditional methods of sample introduction for DART MS analysis. A custom-designed sample holder was fabricated to rapidly and reproducibly position insecticide-treated nets normal to the ionizing metastable gas stream, enabling transmission of desorbed analyte ions through the holder cavity and into the MS. Introduction of the sample at this fixed geometry eliminates the need for optimizing sample position and allows spectra based on factors such as metastable gas temperature and flow to be systematically evaluated. The results presented here, supported by computational fluid dynamic simulations, demonstrate the effects of these factors on the resulting mass spectra and the potential of this sampling strategy to be used for qualitative and quantitative analyses. Transmission-mode desorption electrospray ionization (TM-DESI) experiments on similar insecticide-treated nets were performed for comparison purposes.\n
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\n \n\n \n \n \n \n \n \n Ambient Pressure Desorption Ionization Mass Spectrometry in Support of Preclinical Pharmaceutical Development.\n \n \n \n \n\n\n \n Helmy, R.; Schafer, W.; Buhler, L.; Marcinko, S.; Musselman, B.; Guidry, E.; Jenkins, H.; Fleitz, F.; and Welch, C. J.\n\n\n \n\n\n\n Organic Process Research & Development, 14(2): 386–392. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{helmy_ambient_2010,\n\ttitle = {Ambient {Pressure} {Desorption} {Ionization} {Mass} {Spectrometry} in {Support} of {Preclinical} {Pharmaceutical} {Development}},\n\tvolume = {14},\n\tissn = {1083-6160, 1520-586X},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/op9002938},\n\tdoi = {10.1021/op9002938},\n\tabstract = {The use of ambient pressure desorption ionization mass spectrometry for the rapid analytical support of process and pharmaceutical development is demonstrated. The ability of direct analysis in real time (DART) technology to analyze both active pharmaceutical ingredients (APIs) and intermediates without sample preparation or the development of LC-based separations provided critical experimental results with minimal time required for method development. The utility and versatility of DART is shown for applications such as degradation studies, analysis of high-throughput catalyst screens, preparative-scale chromatography fractions, and impurity determination.},\n\tnumber = {2},\n\turldate = {2012-04-18},\n\tjournal = {Organic Process Research \\& Development},\n\tauthor = {Helmy, Roy and Schafer, Wes and Buhler, Leah and Marcinko, Stephen and Musselman, Brian and Guidry, Erin and Jenkins, Herb and Fleitz, Fred and Welch, Christopher J.},\n\tyear = {2010},\n\tkeywords = {Thermo LTQ},\n\tpages = {386--392},\n}\n\n\n\n
\n
\n\n\n
\n The use of ambient pressure desorption ionization mass spectrometry for the rapid analytical support of process and pharmaceutical development is demonstrated. The ability of direct analysis in real time (DART) technology to analyze both active pharmaceutical ingredients (APIs) and intermediates without sample preparation or the development of LC-based separations provided critical experimental results with minimal time required for method development. The utility and versatility of DART is shown for applications such as degradation studies, analysis of high-throughput catalyst screens, preparative-scale chromatography fractions, and impurity determination.\n
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\n \n\n \n \n \n \n \n An ultra superfast identification of low-molecular components of pharmaceuticals by DART mass spectrometry.\n \n \n \n\n\n \n Chernetsova, E.; Bochkov, P.; Ovcharov, M.; Zatonskii, G.; and Abramovich, R.\n\n\n \n\n\n\n Journal of Analytical Chemistry, 65(14): 1537–1539. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_ultra_2010,\n\ttitle = {An ultra superfast identification of low-molecular components of pharmaceuticals by {DART} mass spectrometry},\n\tvolume = {65},\n\tnumber = {14},\n\tjournal = {Journal of Analytical Chemistry},\n\tauthor = {Chernetsova, E.S. and Bochkov, P.O. and Ovcharov, M.V. and Zatonskii, G.V. and Abramovich, R.A.},\n\tyear = {2010},\n\tkeywords = {DART; AccuTOF},\n\tpages = {1537--1539},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART) Mass Spectrometry of Nucleotides and Nucleosides: Elucidation of a Novel Fragment [C5H5O]+ and Its In-Source Adducts.\n \n \n \n\n\n \n Curtis, M. E.; Minier, M. A.; Chitranshi, P.; Sparkman, O. D.; Jones, P. R.; and Xue, L.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(8): 1371–1381. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{curtis_direct_2010,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry} of {Nucleotides} and {Nucleosides}: {Elucidation} of a {Novel} {Fragment} [{C5H5O}]+ and {Its} {In}-{Source} {Adducts}},\n\tvolume = {21},\n\tdoi = {10.1016/j.jasms.2010.03.046},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry is a recently developed innovative technology, which has shown broad applications for fast and convenient analysis of complex samples. Due to the ease of sample preparation, we have recently initiated an investigation of the feasibility of detecting nucleotides and nucleosides using the DART-AccuTOF instrument, which we will refer to as the DART mass spectrometer. Our experimental results reveal that the ions representing the intact molecules of nucleotides are not detectable in either positive-ion or negative-ion mode. Instead, all four natural nucleotides fragment in the DART ion source, and a common fragment ion, [C5H5O]+ (1), is observed, which is probably formed via multiple- elimination reactions. Interestingly, 1  can form adducts with nucleobases in different molar ratios in the DART ion source. In contrast to nucleotides, the ions representing the intact molecules of nucleosides are detected in both positive-ion and negative-ion mode using DART mass spectrometry. Surprisingly, the fragmentation pattern of nucleosides is different from that of nucleotides in the DART ion source. In the cases of nucleosides (under positive-ion conditions), the production of 1 is not observed, indicating that the phosphate group plays an important role for the multiple eliminations observed in the spectra of nucleotides. The in-source reactions described in the present work show the complexity of the conditions in the DART ion source, and we hope that our results illustrate a better understanding about DART mass spectrometry.},\n\tnumber = {8},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Curtis, M. E. and Minier, M. A. and Chitranshi, P. and Sparkman, O. D. and Jones, P. R. and Xue, L.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1371--1381},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) mass spectrometry is a recently developed innovative technology, which has shown broad applications for fast and convenient analysis of complex samples. Due to the ease of sample preparation, we have recently initiated an investigation of the feasibility of detecting nucleotides and nucleosides using the DART-AccuTOF instrument, which we will refer to as the DART mass spectrometer. Our experimental results reveal that the ions representing the intact molecules of nucleotides are not detectable in either positive-ion or negative-ion mode. Instead, all four natural nucleotides fragment in the DART ion source, and a common fragment ion, [C5H5O]+ (1), is observed, which is probably formed via multiple- elimination reactions. Interestingly, 1 can form adducts with nucleobases in different molar ratios in the DART ion source. In contrast to nucleotides, the ions representing the intact molecules of nucleosides are detected in both positive-ion and negative-ion mode using DART mass spectrometry. Surprisingly, the fragmentation pattern of nucleosides is different from that of nucleotides in the DART ion source. In the cases of nucleosides (under positive-ion conditions), the production of 1 is not observed, indicating that the phosphate group plays an important role for the multiple eliminations observed in the spectra of nucleotides. The in-source reactions described in the present work show the complexity of the conditions in the DART ion source, and we hope that our results illustrate a better understanding about DART mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry: a fast screening of solid pharmaceuticals for the presence of an active ingredient, as an alternative for IR spectroscopy.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Bochkov, P. O.; Ovcharov, M. V.; Zhokhov, S. S.; and Abramovich, R. A.\n\n\n \n\n\n\n Drug Testing and Analysis, 2(6): 292–294. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_dart_2010,\n\ttitle = {{DART} mass spectrometry: a fast screening of solid pharmaceuticals for the presence of an active ingredient, as an alternative for {IR} spectroscopy},\n\tvolume = {2},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.136},\n\tdoi = {10.1002/dta.136},\n\tabstract = {The application of DART as a choice analytical tool for rapid analysis of counterfeit pharmaceuticals is discussed. DART technology shows considerable promise for rapid, ‘investigator friendly’ studies of ingredients contained within pharmaceuticals. Its user friendly approach renders it as an attractive, rapid, labour saving tool in comparison to its traditional IR counterpart.},\n\tnumber = {6},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Chernetsova, Elena S. and Bochkov, Pavel O. and Ovcharov, Maxim V. and Zhokhov, Sergey S. and Abramovich, Rimma A.},\n\tyear = {2010},\n\tpages = {292--294},\n}\n\n\n\n
\n
\n\n\n
\n The application of DART as a choice analytical tool for rapid analysis of counterfeit pharmaceuticals is discussed. DART technology shows considerable promise for rapid, ‘investigator friendly’ studies of ingredients contained within pharmaceuticals. Its user friendly approach renders it as an attractive, rapid, labour saving tool in comparison to its traditional IR counterpart.\n
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\n \n\n \n \n \n \n \n \n Release kinetics of actives from chewing gums into saliva monitored by direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Jeckelmann, N.; and Haefliger, O. P.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(8): 1165–1171. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ReleasePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{jeckelmann_release_2010,\n\ttitle = {Release kinetics of actives from chewing gums into saliva monitored by direct analysis in real time mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4500},\n\tdoi = {10.1002/rcm.4500},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) was used to monitor the release kinetics of a taste-refreshing compound from chewing gums into the saliva of subjects. A new DART-MS sample probe was designed which was about four times more sensitive than the current benchmark probe. This decreased the impact of the dilution of the saliva samples that was required to minimize ion suppression effects and make quantitative analyses without an internal standard possible. The new probe was also about three times more reproducible, which allowed quantitative measurements to be conducted manually without requiring the enhanced precision provided by an automatic sample positioner. The accuracy of analyses performed by DART-MS was verified by comparing the results obtained from saliva samples analyzed both by DART-MS and by a more classical liquid chromatography/mass spectrometry (LC/MS) method. This investigation showed good agreement between the two techniques. DART-MS could then be used to objectively demonstrate the efficiency of a granular carbohydrate-based delivery system to boost for a few minutes the release of a lipophilic flavor raw material with a high octanol/water partition coefficient, cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl) (WS-3), from chewing gum into saliva. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {8},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Jeckelmann, Nicolas and Haefliger, Olivier P.},\n\tyear = {2010},\n\tkeywords = {Applied Biosystems QTrap},\n\tpages = {1165--1171},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) was used to monitor the release kinetics of a taste-refreshing compound from chewing gums into the saliva of subjects. A new DART-MS sample probe was designed which was about four times more sensitive than the current benchmark probe. This decreased the impact of the dilution of the saliva samples that was required to minimize ion suppression effects and make quantitative analyses without an internal standard possible. The new probe was also about three times more reproducible, which allowed quantitative measurements to be conducted manually without requiring the enhanced precision provided by an automatic sample positioner. The accuracy of analyses performed by DART-MS was verified by comparing the results obtained from saliva samples analyzed both by DART-MS and by a more classical liquid chromatography/mass spectrometry (LC/MS) method. This investigation showed good agreement between the two techniques. DART-MS could then be used to objectively demonstrate the efficiency of a granular carbohydrate-based delivery system to boost for a few minutes the release of a lipophilic flavor raw material with a high octanol/water partition coefficient, cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl) (WS-3), from chewing gum into saliva. Copyright © 2010 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Analysis of multiple mycotoxins in beer employing (ultra)-high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Zachariasova, M.; Cajka, T.; Godula, M.; Malachova, A.; Veprikova, Z.; and Hajslova, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(22): 3357–3367. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zachariasova_analysis_2010,\n\ttitle = {Analysis of multiple mycotoxins in beer employing (ultra)-high-resolution mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4746},\n\tdoi = {10.1002/rcm.4746},\n\tabstract = {The objective of the presented study was to develop and optimize a simple, high-throughput method for the control of 32 mycotoxins (Fusarium and Alternaria toxins, aflatoxins, ergot alkaloids, ochratoxins, and sterigmatocystin) in beer. Due to the broad range of their physicochemical properties, the sample preparation step was simplified as much as possible to avoid analyte losses. The addition of acetonitrile to beer samples enabled precipitation of abundant matrix components. The clean-up efficiency was controlled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source. For determination of analytes, ultra-high-performance liquid chromatography hyphenated with high-resolution mass spectrometry utilizing an orbitrap (U-HPLC–orbitrapMS) or time-of-flight (TOFMS) technology was used. Because of significantly better detection capabilities of the orbitrap technology, the U-HPLC–orbitrapMS method was chosen as a determinative step and fully validated. To compensate matrix effects, matrix-matched calibration was employed. The lowest calibration levels for most of the target mycotoxins ranged from 1 to 8 µg L−1 beer and the recoveries of analytes were in range from 86 to 124\\%. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {22},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Zachariasova, Milena and Cajka, Tomas and Godula, Michal and Malachova, Alexandra and Veprikova, Zdenka and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Orbitrap},\n\tpages = {3357--3367},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The objective of the presented study was to develop and optimize a simple, high-throughput method for the control of 32 mycotoxins (Fusarium and Alternaria toxins, aflatoxins, ergot alkaloids, ochratoxins, and sterigmatocystin) in beer. Due to the broad range of their physicochemical properties, the sample preparation step was simplified as much as possible to avoid analyte losses. The addition of acetonitrile to beer samples enabled precipitation of abundant matrix components. The clean-up efficiency was controlled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source. For determination of analytes, ultra-high-performance liquid chromatography hyphenated with high-resolution mass spectrometry utilizing an orbitrap (U-HPLC–orbitrapMS) or time-of-flight (TOFMS) technology was used. Because of significantly better detection capabilities of the orbitrap technology, the U-HPLC–orbitrapMS method was chosen as a determinative step and fully validated. To compensate matrix effects, matrix-matched calibration was employed. The lowest calibration levels for most of the target mycotoxins ranged from 1 to 8 µg L−1 beer and the recoveries of analytes were in range from 86 to 124%. Copyright © 2010 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Optimization of a direct analysis in real time/time-of-flight mass spectrometry method for rapid serum metabolomic fingerprinting.\n \n \n \n \n\n\n \n Zhou, M.; McDonald, J. F.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(1): 68–75. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhou_optimization_2010,\n\ttitle = {Optimization of a direct analysis in real time/time-of-flight mass spectrometry method for rapid serum metabolomic fingerprinting},\n\tvolume = {21},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://www.springerlink.com/index/10.1016/j.jasms.2009.09.004},\n\tdoi = {10.1016/j.jasms.2009.09.004},\n\tabstract = {Metabolomic fingerprinting of bodily fluids can reveal the underlying causes of metabolic disorders associated with many diseases, and has thus been recognized as a potential tool for disease diagnosis and prognosis following therapy. Here we report a rapid approach in which direct analysis in real time (DART) coupled with time-of-flight (TOF) mass spectrometry (MS) and hybrid quadrupole TOF (Q-TOF) MS is used as a means for metabolomic fingerprinting of human serum. In this approach, serum samples are first treated to precipitate proteins, and the volatility of the remaining metabolites increased by derivatization, followed by DART MS analysis. Maximum DART MS performance was obtained by optimizing instrumental parameters such as ionizing gas temperature and flow rate for the analysis of identical aliquots of a healthy human serum samples. These variables were observed to have a significant effect on the overall mass range of the metabolites detected as well as the signal-to-noise ratios in DART mass spectra. Each DART run requires only 1.2 min, during which more than 1500 different spectral features are observed in a time-dependent fashion. A repeatability of 4.1\\% to 4.5\\% was obtained for the total ion signal using a manual sampling arm. With the appealing features of high-throughput, lack of memory effects, and simplicity, DART MS has shown potential to become an invaluable tool for metabolomic fingerprinting.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Zhou, Manshui and McDonald, John F. and Fernández, Facundo M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {68--75},\n}\n\n\n\n
\n
\n\n\n
\n Metabolomic fingerprinting of bodily fluids can reveal the underlying causes of metabolic disorders associated with many diseases, and has thus been recognized as a potential tool for disease diagnosis and prognosis following therapy. Here we report a rapid approach in which direct analysis in real time (DART) coupled with time-of-flight (TOF) mass spectrometry (MS) and hybrid quadrupole TOF (Q-TOF) MS is used as a means for metabolomic fingerprinting of human serum. In this approach, serum samples are first treated to precipitate proteins, and the volatility of the remaining metabolites increased by derivatization, followed by DART MS analysis. Maximum DART MS performance was obtained by optimizing instrumental parameters such as ionizing gas temperature and flow rate for the analysis of identical aliquots of a healthy human serum samples. These variables were observed to have a significant effect on the overall mass range of the metabolites detected as well as the signal-to-noise ratios in DART mass spectra. Each DART run requires only 1.2 min, during which more than 1500 different spectral features are observed in a time-dependent fashion. A repeatability of 4.1% to 4.5% was obtained for the total ion signal using a manual sampling arm. With the appealing features of high-throughput, lack of memory effects, and simplicity, DART MS has shown potential to become an invaluable tool for metabolomic fingerprinting.\n
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\n \n\n \n \n \n \n \n \n Rapid Mass Spectrometric Metabolic Profiling of Blood Sera Detects Ovarian Cancer with High Accuracy.\n \n \n \n \n\n\n \n Zhou, M.; Guan, W.; Walker, L. D.; Mezencev, R.; Benigno, B. B.; Gray, A.; Fernandez, F. M.; and McDonald, J. F.\n\n\n \n\n\n\n Cancer Epidemiology, Biomarkers & Prevention. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhou_rapid_2010,\n\ttitle = {Rapid {Mass} {Spectrometric} {Metabolic} {Profiling} of {Blood} {Sera} {Detects} {Ovarian} {Cancer} with {High} {Accuracy}},\n\turl = {http://cebp.aacrjournals.org/content/early/2010/08/05/1055-9965.EPI-10-0126.abstract},\n\tdoi = {10.1158/1055-9965.EPI-10-0126},\n\tabstract = {Background: Ovarian cancer diagnosis is problematic because the disease is typically asymptomatic, especially at the early stages of progression and/or recurrence. We report here the integration of a new mass spectrometric technology with a novel support vector machine computational method for use in cancer diagnostics, and describe the application of the method to ovarian cancer.\n\nMethods: We coupled a high-throughput ambient ionization technique for mass spectrometry (direct analysis in real-time mass spectrometry) to profile relative metabolite levels in sera from 44 women diagnosed with serous papillary ovarian cancer (stages I-IV) and 50 healthy women or women with benign conditions. The profiles were input to a customized functional support vector machine–based machine-learning algorithm for diagnostic classification. Performance was evaluated through a 64-30 split validation test and with a stringent series of leave-one-out cross-validations.\n\nResults: The assay distinguished between the cancer and control groups with an unprecedented 99\\% to 100\\% accuracy (100\\% sensitivity and 100\\% specificity by the 64-30 split validation test; 100\\% sensitivity and 98\\% specificity by leave-one-out cross-validations).\n\nConclusion: The method has significant clinical potential as a cancer diagnostic tool. Because of the extremely low prevalence of ovarian cancer in the general population (∼0.04\\%), extensive prospective testing will be required to evaluate the test's potential utility in general screening applications. However, more immediate applications might be as a diagnostic tool in higher-risk groups or to monitor cancer recurrence after therapeutic treatment.\n\nImpact: The ability to accurately and inexpensively diagnose ovarian cancer will have a significant positive effect on ovarian cancer treatment and outcome.},\n\tjournal = {Cancer Epidemiology, Biomarkers \\& Prevention},\n\tauthor = {Zhou, M. and Guan, W. and Walker, L. D. and Mezencev, R. and Benigno, B. B. and Gray, A. and Fernandez, F. M. and McDonald, J. F.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
\n
\n\n\n
\n Background: Ovarian cancer diagnosis is problematic because the disease is typically asymptomatic, especially at the early stages of progression and/or recurrence. We report here the integration of a new mass spectrometric technology with a novel support vector machine computational method for use in cancer diagnostics, and describe the application of the method to ovarian cancer. Methods: We coupled a high-throughput ambient ionization technique for mass spectrometry (direct analysis in real-time mass spectrometry) to profile relative metabolite levels in sera from 44 women diagnosed with serous papillary ovarian cancer (stages I-IV) and 50 healthy women or women with benign conditions. The profiles were input to a customized functional support vector machine–based machine-learning algorithm for diagnostic classification. Performance was evaluated through a 64-30 split validation test and with a stringent series of leave-one-out cross-validations. Results: The assay distinguished between the cancer and control groups with an unprecedented 99% to 100% accuracy (100% sensitivity and 100% specificity by the 64-30 split validation test; 100% sensitivity and 98% specificity by leave-one-out cross-validations). Conclusion: The method has significant clinical potential as a cancer diagnostic tool. Because of the extremely low prevalence of ovarian cancer in the general population (∼0.04%), extensive prospective testing will be required to evaluate the test's potential utility in general screening applications. However, more immediate applications might be as a diagnostic tool in higher-risk groups or to monitor cancer recurrence after therapeutic treatment. Impact: The ability to accurately and inexpensively diagnose ovarian cancer will have a significant positive effect on ovarian cancer treatment and outcome.\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry: advances and applications in forensics.\n \n \n \n \n\n\n \n Green, F. M.; Salter, T. L.; Stokes, P.; Gilmore, I. S.; and O'Connor, G.\n\n\n \n\n\n\n Surface and Interface Analysis, 42(5): 347–357. May 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{green_ambient_2010,\n\ttitle = {Ambient mass spectrometry: advances and applications in forensics},\n\tvolume = {42},\n\tissn = {01422421, 10969918},\n\tshorttitle = {Ambient mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/sia.3131},\n\tdoi = {10.1002/sia.3131},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-01-29},\n\tjournal = {Surface and Interface Analysis},\n\tauthor = {Green, F. M. and Salter, T. L. and Stokes, P. and Gilmore, I. S. and O'Connor, G.},\n\tmonth = may,\n\tyear = {2010},\n\tpages = {347--357},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid determination of melamine and cyanuric acid in milk powder using direct analysis in real time-time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Vaclavik, L.; Rosmus, J.; Popping, B.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1217(25): 4204–4211. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_rapid_2010,\n\ttitle = {Rapid determination of melamine and cyanuric acid in milk powder using direct analysis in real time-time-of-flight mass spectrometry},\n\tvolume = {1217},\n\turl = {http://dx.doi.org/10.1016/j.chroma.2010.03.014},\n\tabstract = {The use of fast semi-automated method employing direct analysis in real time (DART) ion source coupled to time-of-flight mass spectrometry (TOFMS) for analysis of melamine (MEL) and cyanuric acid (CYA) in milk powder and milk based products has been demonstrated in this study. Simple sample extraction procedure employing methanol–5\\% aqueous formic acid mixture, which enabled disruption of melamine–cyanurate complex, was followed by direct, high-throughput (30 s per run) examination of sample extracts spread on a glass rod by mass spectrometry under ambient conditions, without any prior chromatographic separation. After optimization of instrument parameter settings, limits of detection (LODs) 170 and 450 μg kg−1 were achieved for MEL and CYA, respectively. In the final phase of study, the possibility of minimizing spectral interference, thus improving method performance characteristics through the use of ultrahigh resolving power offered by Orbitrap based mass analyzer is demonstrated.},\n\tnumber = {25},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Vaclavik, Lukas and Rosmus, Jan and Popping, Bert and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Melamine; Cyanuric acid; Milk powder; Direct analysis in real time (DART); Time-of-flight mass spectrometry; AccuTOF; Orbitrap mass spectrometry},\n\tpages = {4204--4211},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The use of fast semi-automated method employing direct analysis in real time (DART) ion source coupled to time-of-flight mass spectrometry (TOFMS) for analysis of melamine (MEL) and cyanuric acid (CYA) in milk powder and milk based products has been demonstrated in this study. Simple sample extraction procedure employing methanol–5% aqueous formic acid mixture, which enabled disruption of melamine–cyanurate complex, was followed by direct, high-throughput (30 s per run) examination of sample extracts spread on a glass rod by mass spectrometry under ambient conditions, without any prior chromatographic separation. After optimization of instrument parameter settings, limits of detection (LODs) 170 and 450 μg kg−1 were achieved for MEL and CYA, respectively. In the final phase of study, the possibility of minimizing spectral interference, thus improving method performance characteristics through the use of ultrahigh resolving power offered by Orbitrap based mass analyzer is demonstrated.\n
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\n \n\n \n \n \n \n \n Thermal separation to facilitate Direct Analysis in Real Time (DART) of mixtures.\n \n \n \n\n\n \n Nilles, J.; Connell, T.; and Durst, H.\n\n\n \n\n\n\n Analyst, 135(5): 883–886. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nilles_thermal_2010,\n\ttitle = {Thermal separation to facilitate {Direct} {Analysis} in {Real} {Time} ({DART}) of mixtures},\n\tvolume = {135},\n\tdoi = {10.1039/c0an00036a},\n\tabstract = {We explore a thermal separation technique for use with Direct Analysis in Real Time (DART). By applying gas temperature ramping, we are able to disburse a mixture of compounds in time. The three components were selected to create a challenging mixture that would not likely be discerned solely using exact mass capabilities. While the thermal separation technique is of low resolution, it preserves the inherent rapid, non-contact, ambient characteristics of the ion source.},\n\tnumber = {5},\n\tjournal = {Analyst},\n\tauthor = {Nilles, J.M. and Connell, T.R. and Durst, H.D.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {883--886},\n}\n\n\n\n
\n
\n\n\n
\n We explore a thermal separation technique for use with Direct Analysis in Real Time (DART). By applying gas temperature ramping, we are able to disburse a mixture of compounds in time. The three components were selected to create a challenging mixture that would not likely be discerned solely using exact mass capabilities. While the thermal separation technique is of low resolution, it preserves the inherent rapid, non-contact, ambient characteristics of the ion source.\n
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\n \n\n \n \n \n \n \n Routine analysis and characterization of highly insoluble polycyclic aromatic compounds by direct analysis in real time mass spectrometry (DART).\n \n \n \n\n\n \n Domin, M.; Steinberg, B.; Quimby, J.; Smith, N.; Greene, A.; and Scott, L.\n\n\n \n\n\n\n Analyst, 135(4): 700–704. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{domin_routine_2010,\n\ttitle = {Routine analysis and characterization of highly insoluble polycyclic aromatic compounds by direct analysis in real time mass spectrometry ({DART})},\n\tvolume = {135},\n\tdoi = {10.1039/b923300h},\n\tabstract = {Direct Analysis in Real Time (DART), is used for the first time for the routine rapid analysis of highly insoluble polycyclic aromatic compounds. Direct analysis of such compounds as solid samples under solvent-free conditions shows that DART is a powerful analytical platform capable of providing high-throughput analysis for these complex samples, requiring no special sample pre-treatment or instrument setup.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Domin, M.A. and Steinberg, B.D. and Quimby, J.M. and Smith, N.J. and Greene, A.K. and Scott, L.T.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {700--704},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART), is used for the first time for the routine rapid analysis of highly insoluble polycyclic aromatic compounds. Direct analysis of such compounds as solid samples under solvent-free conditions shows that DART is a powerful analytical platform capable of providing high-throughput analysis for these complex samples, requiring no special sample pre-treatment or instrument setup.\n
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\n \n\n \n \n \n \n \n A Rapid Technique for the Confirmation of Iodine and Red Phosphorus Using Direct Analysis in Real Time and Accurate Mass Spectrometry.\n \n \n \n\n\n \n Steiner, R. R\n\n\n \n\n\n\n Microgram J, 7(1): 3–6. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{steiner_rapid_2010,\n\ttitle = {A {Rapid} {Technique} for the {Confirmation} of {Iodine} and {Red} {Phosphorus} {Using} {Direct} {Analysis} in {Real} {Time} and {Accurate} {Mass} {Spectrometry}},\n\tvolume = {7},\n\tabstract = {Iodine and red phosphorus are chemicals commonly seen in clandestine methamphetamine laboratories. Current analytical methods used for the confirmation of these chemicals include FTIR and GC/MS, usually after a derivatization or reaction with other compounds. X-ray diffraction and scanning electron microscope-energy dispersive x-ray analysis are also used to confirm these chemicals, but all of these techniques tend to be time-consuming or produce poisonous products. A novel technique, using the JEOL-IonSense AccuTOF-DART system, has been developed which yields accurate mass spectra usually in less than ten minutes of analysis time, with no sample preparation.},\n\tnumber = {1},\n\tjournal = {Microgram J},\n\tauthor = {Steiner, Robert R},\n\tyear = {2010},\n\tpages = {3--6},\n}\n\n\n\n
\n
\n\n\n
\n Iodine and red phosphorus are chemicals commonly seen in clandestine methamphetamine laboratories. Current analytical methods used for the confirmation of these chemicals include FTIR and GC/MS, usually after a derivatization or reaction with other compounds. X-ray diffraction and scanning electron microscope-energy dispersive x-ray analysis are also used to confirm these chemicals, but all of these techniques tend to be time-consuming or produce poisonous products. A novel technique, using the JEOL-IonSense AccuTOF-DART system, has been developed which yields accurate mass spectra usually in less than ten minutes of analysis time, with no sample preparation.\n
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\n \n\n \n \n \n \n \n Identification of Glycyrrhiza species by direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Fukuda, E.; Baba, M.; Iwasaki, N.; Uesawa, Y.; Arifuku, K.; Kamoe, O.; Tsubono, K.; and Okada, Y.\n\n\n \n\n\n\n Natural product communications, 5(11): 1755–1758. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fukuda_identification_2010,\n\ttitle = {Identification of {Glycyrrhiza} species by direct analysis in real time mass spectrometry.},\n\tvolume = {5},\n\tabstract = {DART (Direct Analysis in Real Time)-MS is a novel mass spectrometric ion source, and allows the analysis of most compounds at ambient pressure and ground potential by producing [M+H]+ molecular ion species. Using this method, we examined the compounds characteristic of several kinds of licorices. For the analysis of Glycyrrhiza inflata Batalin, the peak at m/z 339 originates mainly from [M+H]+ of licochalcone A (LA), a species-specific compound. This peak was hardly detected in G. glabra Linné and G. uralensis Fischer. These results indicate that G. inflata can be differentiated from the other two species by detection of LA peaks using DART-MS analysis.},\n\tnumber = {11},\n\tjournal = {Natural product communications},\n\tauthor = {Fukuda, Eriko and Baba, Masaki and Iwasaki, Noriaki and Uesawa, Yoshihiro and Arifuku, Kazunori and Kamoe, Osamu and Tsubono, Koji and Okada, Yoshihito},\n\tyear = {2010},\n\tpages = {1755--1758},\n}\n\n\n\n
\n
\n\n\n
\n DART (Direct Analysis in Real Time)-MS is a novel mass spectrometric ion source, and allows the analysis of most compounds at ambient pressure and ground potential by producing [M+H]+ molecular ion species. Using this method, we examined the compounds characteristic of several kinds of licorices. For the analysis of Glycyrrhiza inflata Batalin, the peak at m/z 339 originates mainly from [M+H]+ of licochalcone A (LA), a species-specific compound. This peak was hardly detected in G. glabra Linné and G. uralensis Fischer. These results indicate that G. inflata can be differentiated from the other two species by detection of LA peaks using DART-MS analysis.\n
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\n \n\n \n \n \n \n \n \n Identification of marker compounds in herbal drugs on TLC with DART-MS.\n \n \n \n \n\n\n \n Kim, H. J.; Jee, E. H.; Ahn, K. S.; Choi, H. S.; and Jang, Y. P.\n\n\n \n\n\n\n Archives of Pharmacal Research, 33(9): 1355–1359. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_identification_2010,\n\ttitle = {Identification of marker compounds in herbal drugs on {TLC} with {DART}-{MS}},\n\tvolume = {33},\n\tissn = {0253-6269, 1976-3786},\n\turl = {http://www.springerlink.com/index/10.1007/s12272-010-0909-7},\n\tdoi = {10.1007/s12272-010-0909-7},\n\tabstract = {This study was conducted to provide a more versatile and specific information on Thin Layer Chromatographic (TLC) analysis of medicinal plants. TLC plates developed with the extract of herbal medicines were analyzed with direct analysis in real time (DART) ion source. Three well known herbal drugs were extracted and developed on a silica-coated TLC plate with the conditions pre-established in Korean Pharmacopoeia IX. The developed plate was placed between the DART ion source and TOF-MS analyzer to get real time mass spectra from the bands on the TLC plate directly. The marker coumarin compounds, decursin and decursinol were successfully identified from the TLC plate developed with Angelicae gigantis radix, along with alkaloid compounds of rutaecarpine and evodiamine from Evodiae fructus, and lignan molecules of gomisin A, N, and schisandrin from Schisandrae fructus. This hyphenation system of TLC and DART-MS could provide unique and specific information on the major constituents of crude plant drug on TLC through uncovering high resolution mass number of each band on the TLC plate directly in real time.},\n\tnumber = {9},\n\turldate = {2012-04-18},\n\tjournal = {Archives of Pharmacal Research},\n\tauthor = {Kim, Hye Jin and Jee, Eun Hye and Ahn, Kwang Sung and Choi, Hyo Sook and Jang, Young Pyo},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1355--1359},\n}\n\n\n\n
\n
\n\n\n
\n This study was conducted to provide a more versatile and specific information on Thin Layer Chromatographic (TLC) analysis of medicinal plants. TLC plates developed with the extract of herbal medicines were analyzed with direct analysis in real time (DART) ion source. Three well known herbal drugs were extracted and developed on a silica-coated TLC plate with the conditions pre-established in Korean Pharmacopoeia IX. The developed plate was placed between the DART ion source and TOF-MS analyzer to get real time mass spectra from the bands on the TLC plate directly. The marker coumarin compounds, decursin and decursinol were successfully identified from the TLC plate developed with Angelicae gigantis radix, along with alkaloid compounds of rutaecarpine and evodiamine from Evodiae fructus, and lignan molecules of gomisin A, N, and schisandrin from Schisandrae fructus. This hyphenation system of TLC and DART-MS could provide unique and specific information on the major constituents of crude plant drug on TLC through uncovering high resolution mass number of each band on the TLC plate directly in real time.\n
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\n \n\n \n \n \n \n \n \n Explosives Detection Using Direct Analysis in Real Time (DART) Mass Spectrometry.\n \n \n \n \n\n\n \n Nilles, J. M.; Connell, T. R.; Stokes, S. T.; and Dupont Durst, H.\n\n\n \n\n\n\n Propellants, Explosives, Pyrotechnics, 35(5): 446–451. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ExplosivesPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nilles_explosives_2010,\n\ttitle = {Explosives {Detection} {Using} {Direct} {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry}},\n\tvolume = {35},\n\tissn = {07213115},\n\turl = {http://doi.wiley.com/10.1002/prep.200900084},\n\tdoi = {10.1002/prep.200900084},\n\tabstract = {The growing use of explosives by terrorists and criminals creates a need for instrumentation which can rapidly analyze these energetic compounds, preferably on site. Direct analysis in real time (DART) is a promising technology for surface analysis with little or no sample preparation. Therefore, DART ionization is evaluated for use in detecting explosives on solid substrates and in liquid matrices. Fifteen explosives were chosen as a consequence of their common usage. Five surfaces were chosen to represent a wide range of physical properties such as composition, porosity, surface morphology, and thermal and electrical conductivity. Additionally these surfaces are commonly found in everyday surroundings. All 75 compound-surface combinations produced a clear, easily identifiable, mass spectra characteristic of the targeted analyte. Simultaneous detection of five explosives is demonstrated on these same surfaces. Lastly, rapid detection of trace contamination in common fluids is also explored.},\n\tnumber = {5},\n\turldate = {2012-04-18},\n\tjournal = {Propellants, Explosives, Pyrotechnics},\n\tauthor = {Nilles, J. Michael and Connell, Theresa R. and Stokes, Sarah T. and Dupont Durst, H.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {446--451},\n}\n\n\n\n
\n
\n\n\n
\n The growing use of explosives by terrorists and criminals creates a need for instrumentation which can rapidly analyze these energetic compounds, preferably on site. Direct analysis in real time (DART) is a promising technology for surface analysis with little or no sample preparation. Therefore, DART ionization is evaluated for use in detecting explosives on solid substrates and in liquid matrices. Fifteen explosives were chosen as a consequence of their common usage. Five surfaces were chosen to represent a wide range of physical properties such as composition, porosity, surface morphology, and thermal and electrical conductivity. Additionally these surfaces are commonly found in everyday surroundings. All 75 compound-surface combinations produced a clear, easily identifiable, mass spectra characteristic of the targeted analyte. Simultaneous detection of five explosives is demonstrated on these same surfaces. Lastly, rapid detection of trace contamination in common fluids is also explored.\n
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\n \n\n \n \n \n \n \n \n Bambusae Caulis in Taeniam extract reduces ovalbumin-induced airway inflammation and T helper 2 responses in mice.\n \n \n \n \n\n\n \n Ra, J.; Lee, S.; Kim, H.; Jang, Y.; Ahn, H.; and Kim, J.\n\n\n \n\n\n\n Journal of Ethnopharmacology, 128(1): 241–247. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"BambusaePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{ra_bambusae_2010,\n\ttitle = {Bambusae {Caulis} in {Taeniam} extract reduces ovalbumin-induced airway inflammation and {T} helper 2 responses in mice},\n\tvolume = {128},\n\turl = {http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6T8D-4Y5BMD1-B&_user=10&_coverDate=03%2F02%2F2010&_rdoc=1&_fmt=high&_orig=search&_sort=d&_docanchor=&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=4d40845f392128c88900870785447421},\n\tdoi = {10.1016/j.jep.2010.01.023},\n\tabstract = {Ethnopharmacological relevance Bambusae Caulis in Taeniam (BC) was known as traditional herbal medicine with anti-inflammatory property in the Orient. Aim of the study Allergic asthma is inflammatory disease of airways associated with enhanced T helper (Th) 2 lymphocytes responses to allergens, leading to eosinophilic infiltration and elevated serum IgE levels. Although there were some studies that BC extract had an anti-inflammatory property, there was no study on asthma. In present study, we investigated the suitability of BC extract as a therapeutic candidate in the treatment of allergic airway disease in ovalbumin-induced asthma model. Materials and methods Balb/C mice (female, 6 weeks old) were treated by ovalbumin sensitization and nebulization, and used as asthma model. The number of eosinophil in bronchoalveolar lavage (BAL) fluid and the degree of eosinophila were investigated by hematoxylin and eosin stain and the infiltration of inflammatory cells into lung tissues was examined by staining by hematoxylin and eosin solution. The levels of interleukin (IL)-4 in BAL fluid, immunoglobulin E (IgE) in serum, interferon (IFN)-γ and IL-4 production in splenocyte culture from Balb/C mice (not treated, 6 weeks old) that incubated with or without BC extract for 48 h were determined by enzyme-linked immunosorbent assay. Results The level of eosinophils was decreased by treatment of the animals with BC extract (40 mg/kg) and correspondingly, a significantly lowered degree of eosinophila was also reported (p {\\textless} 0.01). In lung tissue, BC extract reduced the increased immune cell infiltration induced by OVA (p {\\textless} 0.05). Furthermore, the levels of IL-4 and IgE in BAL fluid or serum up-regulated by OVA was decreased by BC extract. Finally, IFN-γ production was significantly increased (p {\\textless} 0.01), while IL-4 production significantly decreased (p {\\textless} 0.01), after treatment of the culture supernatants of splenocytes with BC extract. Conclusions These results indicated that BC extract reduces OVA-induced airway inflammation and Th 2 response in mice, suggesting that BC extract can be a therapeutic candidate for allergic airway disease, including asthma.},\n\tnumber = {1},\n\tjournal = {Journal of Ethnopharmacology},\n\tauthor = {Ra, J. and Lee, S. and Kim, H.J. and Jang, Y.P. and Ahn, H. and Kim, J.},\n\tyear = {2010},\n\tkeywords = {Airway inflammation; Bambusae Caulis in Taeniam; Herbal medicine; AccuTOF},\n\tpages = {241--247},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Ethnopharmacological relevance Bambusae Caulis in Taeniam (BC) was known as traditional herbal medicine with anti-inflammatory property in the Orient. Aim of the study Allergic asthma is inflammatory disease of airways associated with enhanced T helper (Th) 2 lymphocytes responses to allergens, leading to eosinophilic infiltration and elevated serum IgE levels. Although there were some studies that BC extract had an anti-inflammatory property, there was no study on asthma. In present study, we investigated the suitability of BC extract as a therapeutic candidate in the treatment of allergic airway disease in ovalbumin-induced asthma model. Materials and methods Balb/C mice (female, 6 weeks old) were treated by ovalbumin sensitization and nebulization, and used as asthma model. The number of eosinophil in bronchoalveolar lavage (BAL) fluid and the degree of eosinophila were investigated by hematoxylin and eosin stain and the infiltration of inflammatory cells into lung tissues was examined by staining by hematoxylin and eosin solution. The levels of interleukin (IL)-4 in BAL fluid, immunoglobulin E (IgE) in serum, interferon (IFN)-γ and IL-4 production in splenocyte culture from Balb/C mice (not treated, 6 weeks old) that incubated with or without BC extract for 48 h were determined by enzyme-linked immunosorbent assay. Results The level of eosinophils was decreased by treatment of the animals with BC extract (40 mg/kg) and correspondingly, a significantly lowered degree of eosinophila was also reported (p \\textless 0.01). In lung tissue, BC extract reduced the increased immune cell infiltration induced by OVA (p \\textless 0.05). Furthermore, the levels of IL-4 and IgE in BAL fluid or serum up-regulated by OVA was decreased by BC extract. Finally, IFN-γ production was significantly increased (p \\textless 0.01), while IL-4 production significantly decreased (p \\textless 0.01), after treatment of the culture supernatants of splenocytes with BC extract. Conclusions These results indicated that BC extract reduces OVA-induced airway inflammation and Th 2 response in mice, suggesting that BC extract can be a therapeutic candidate for allergic airway disease, including asthma.\n
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\n \n\n \n \n \n \n \n \n Ricin Activity Assay by Direct Analysis in Real Time Mass Spectrometry Detection of Adenine Release.\n \n \n \n \n\n\n \n Bevilacqua, V. L. H.; Nilles, J. M.; Rice, J. S.; Connell, T. R.; Schenning, A. M.; Reilly, L. M.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 82(3): 798–800. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RicinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{bevilacqua_ricin_2010,\n\ttitle = {Ricin {Activity} {Assay} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} {Detection} of {Adenine} {Release}},\n\tvolume = {82},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac9025972},\n\tdoi = {10.1021/ac9025972},\n\tabstract = {Biotoxin activity assays typically involve multistep sample preparation, multicomponent reactions, multistep analysis, or a combination thereof. We report a single-step, real-time ricin activity assay that requires little or no sample preparation and employs direct analysis in real time mass spectrometry. The release of adenine from the inhomogeneous substrate herring sperm DNA by ricin was determined to be 53 ± 2 pmol adenine per picomole of ricin per hour. This procedure can be readily adapted to any enzyme for which a reactant or product of low molecular weight (up to ∼600) can be identified.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Bevilacqua, Vicky L. H. and Nilles, J. Michael and Rice, Jeffrey S. and Connell, Theresa R. and Schenning, Amanda M. and Reilly, Lisa M. and Durst, H. Dupont},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {798--800},\n}\n\n\n\n
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\n Biotoxin activity assays typically involve multistep sample preparation, multicomponent reactions, multistep analysis, or a combination thereof. We report a single-step, real-time ricin activity assay that requires little or no sample preparation and employs direct analysis in real time mass spectrometry. The release of adenine from the inhomogeneous substrate herring sperm DNA by ricin was determined to be 53 ± 2 pmol adenine per picomole of ricin per hour. This procedure can be readily adapted to any enzyme for which a reactant or product of low molecular weight (up to ∼600) can be identified.\n
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\n \n\n \n \n \n \n \n \n Small Molecule Ambient Mass Spectrometry Imaging by Infrared Laser Ablation Metastable-Induced Chemical Ionization.\n \n \n \n \n\n\n \n Galhena, A. S.; Harris, G. A.; Nyadong, L.; Murray, K. K.; and Fernández, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 82(6): 2178–2181. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"SmallPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{galhena_small_2010,\n\ttitle = {Small {Molecule} {Ambient} {Mass} {Spectrometry} {Imaging} by {Infrared} {Laser} {Ablation} {Metastable}-{Induced} {Chemical} {Ionization}},\n\tvolume = {82},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac902905v},\n\tdoi = {10.1021/ac902905v},\n\tabstract = {Presented here is a novel ambient ion source termed infrared laser ablation metastable-induced chemical ionization (IR-LAMICI). IR-LAMICI integrates IR laser ablation and direct analysis in real time (DART)-type metastable-induced chemical ionization for open air mass spectrometry (MS) ionization. The ion generation in the IR-LAMICI source is a two step process. First, IR laser pulses impinge the sample surface ablating surface material. Second, a portion of ablated material reacts with the metastable reactive plume facilitating gas-phase chemical ionization of analyte molecules generating protonated or deprotonated species in positive and negative ion modes, respectively. The successful coupling of IR-laser ablation with metastable-induced chemical ionization resulted in an ambient plasma-based spatially resolved small molecule imaging platform for mass spectrometry (MS). The analytical capabilities of IR-LAMICI are explored by imaging pharmaceutical tablets, screening counterfeit drugs, and probing algal tissue surfaces for natural products. The resolution of a chemical image is determined by the crater size produced with each laser pulse but not by the size of the metastable gas jet. The detection limits for an active pharmaceutical ingredient (acetaminophen) using the IR-LAMICI source is calculated to be low picograms. Furthermore, three-dimensional computational fluid dynamic simulations showed improvements in the IR-LAMICI ion source are possible.},\n\tnumber = {6},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Galhena, Asiri S. and Harris, Glenn A. and Nyadong, Leonard and Murray, Kermit K. and Fernández, Facundo M.},\n\tyear = {2010},\n\tkeywords = {Thermo Ion Trap},\n\tpages = {2178--2181},\n}\n\n\n\n
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\n Presented here is a novel ambient ion source termed infrared laser ablation metastable-induced chemical ionization (IR-LAMICI). IR-LAMICI integrates IR laser ablation and direct analysis in real time (DART)-type metastable-induced chemical ionization for open air mass spectrometry (MS) ionization. The ion generation in the IR-LAMICI source is a two step process. First, IR laser pulses impinge the sample surface ablating surface material. Second, a portion of ablated material reacts with the metastable reactive plume facilitating gas-phase chemical ionization of analyte molecules generating protonated or deprotonated species in positive and negative ion modes, respectively. The successful coupling of IR-laser ablation with metastable-induced chemical ionization resulted in an ambient plasma-based spatially resolved small molecule imaging platform for mass spectrometry (MS). The analytical capabilities of IR-LAMICI are explored by imaging pharmaceutical tablets, screening counterfeit drugs, and probing algal tissue surfaces for natural products. The resolution of a chemical image is determined by the crater size produced with each laser pulse but not by the size of the metastable gas jet. The detection limits for an active pharmaceutical ingredient (acetaminophen) using the IR-LAMICI source is calculated to be low picograms. Furthermore, three-dimensional computational fluid dynamic simulations showed improvements in the IR-LAMICI ion source are possible.\n
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\n \n\n \n \n \n \n \n Comparison of the Internal Energy Deposition of Direct Analysis in Real Time and Electrospray Ionization Time-of-Flight Mass Spectrometry.\n \n \n \n\n\n \n Harris, G. A.; Hostetler, D. M.; Hampton, C.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(5): 855–863. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{harris_comparison_2010,\n\ttitle = {Comparison of the {Internal} {Energy} {Deposition} of {Direct} {Analysis} in {Real} {Time} and {Electrospray} {Ionization} {Time}-of-{Flight} {Mass} {Spectrometry}},\n\tvolume = {21},\n\tdoi = {10.1016/j.jasms.2010.01.019},\n\tabstract = {The internal energy (Eint) distributions of a series of p-substituted benzylpyridinium ions generated by both direct analysis in real time (DART) and electrospray ionization (ESI) were compared using the “survival yield” method. DART mean Eint values at gas flow rates of 2, 4, and 6 L min−1, and at set temperatures of 175, 250, and 325 °C were in the 1.92–2.21 eV range. ESI mean Eint  at identical temperatures in aqueous and 50\\% methanol solutions ranged between 1.71 and 1.96 eV, and 1.53 and 1.63 eV, respectively. Although the results indicated that ESI is a “softer” ionization technique than DART, there was overlap between the two techniques for the particular time-of-flight mass spectrometer used. As a whole, there was an increase in Eint with increasing reactive and drying gas temperatures for DART and ESI, respectively, indicating thermal ion activation. Three dimensional computational fluid dynamic simulations in combination with direct temperature measurements within the DART ionization region revealed complex inversely coupled fluid-thermal phenomena affecting ion Eint values during atmospheric transport. Primarily, that DART gas temperature in the ionization region was appreciably less than the set gas temperature of DART due to the set gas flow rates. There was no evidence of Eint deposition pathways from metastable-stimulated desorption, but fragmentation induced by high-energy helium metastables was observed at the highest gas flow rates and temperatures.},\n\tnumber = {5},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Harris, G. A. and Hostetler, D. M. and Hampton, C.Y. and Fernández, F. M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {855--863},\n}\n\n\n\n
\n
\n\n\n
\n The internal energy (Eint) distributions of a series of p-substituted benzylpyridinium ions generated by both direct analysis in real time (DART) and electrospray ionization (ESI) were compared using the “survival yield” method. DART mean Eint values at gas flow rates of 2, 4, and 6 L min−1, and at set temperatures of 175, 250, and 325 °C were in the 1.92–2.21 eV range. ESI mean Eint at identical temperatures in aqueous and 50% methanol solutions ranged between 1.71 and 1.96 eV, and 1.53 and 1.63 eV, respectively. Although the results indicated that ESI is a “softer” ionization technique than DART, there was overlap between the two techniques for the particular time-of-flight mass spectrometer used. As a whole, there was an increase in Eint with increasing reactive and drying gas temperatures for DART and ESI, respectively, indicating thermal ion activation. Three dimensional computational fluid dynamic simulations in combination with direct temperature measurements within the DART ionization region revealed complex inversely coupled fluid-thermal phenomena affecting ion Eint values during atmospheric transport. Primarily, that DART gas temperature in the ionization region was appreciably less than the set gas temperature of DART due to the set gas flow rates. There was no evidence of Eint deposition pathways from metastable-stimulated desorption, but fragmentation induced by high-energy helium metastables was observed at the highest gas flow rates and temperatures.\n
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\n \n\n \n \n \n \n \n Determination of organic UV filters in water by stir bar sorptive extraction and direct analysis in real-time mass spectrometry.\n \n \n \n\n\n \n Haunschmidt, M.; Klampfl, C.; Buchberger, W.; and Hertsens, R.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 397(1): 269–275. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_determination_2010,\n\ttitle = {Determination of organic {UV} filters in water by stir bar sorptive extraction and direct analysis in real-time mass spectrometry},\n\tvolume = {397},\n\tdoi = {10.1007/s00216-009-3438-9},\n\tabstract = {A screening method for analyzing environmental waters contaminated with UV filters using direct analysis in real-time mass spectrometry (DART-MS) was developed. To demonstrate the suitability of DART-MS a test set of seven organic UV filters, namely benzophenone-3 (BP-3), ethylhexyl dimethyl p-aminobenzoate (OD-PABA), 4-t-butyl-4′-methoxydibenzoylmethane (BM-DBM), homomethyl salicylate (HMS), 2-(ethylhexyl) salicylate (EHS), octocrylene (OC), and 4-methylbenzylidene camphor (4-MBC), was defined. In the first step, standard solutions of the analytes prepared in methanol were investigated in order to determine optimum parameters for the DART-MS. Because of the very low concentrations of UV filters expected in environmental water samples, a pre-concentration step using stir bar sorptive extraction was performed. DART-MS allows the direct, simple and rapid semi-quantitative analysis of the analytes enriched on the surface of the polydimethylsiloxane-coated stir bars. The optimized method provided calibration curves with correlation coefficients R{\\textgreater}0.959, repeatability from 5\\% (for 4-MBC) to 30\\% (for BM-DBM) relative standard deviation and limits of detection lower than 40 ng L−1 for all analytes. Finally, real lake water samples from locations with typical leisure activities were analyzed. Results obtained with the developed DART-MS method were cross-checked by confirmatory analysis using thermodesorption gas chromatography mass spectrometry (TD-GC-MS). Thereby, it could be demonstrated that both analytical methods provide comparable concentrations for the UV filters in the lake water samples.},\n\tnumber = {1},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Haunschmidt, Manuela and Klampfl, Christian and Buchberger, Wolfgang and Hertsens, Robert},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {269--275},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n A screening method for analyzing environmental waters contaminated with UV filters using direct analysis in real-time mass spectrometry (DART-MS) was developed. To demonstrate the suitability of DART-MS a test set of seven organic UV filters, namely benzophenone-3 (BP-3), ethylhexyl dimethyl p-aminobenzoate (OD-PABA), 4-t-butyl-4′-methoxydibenzoylmethane (BM-DBM), homomethyl salicylate (HMS), 2-(ethylhexyl) salicylate (EHS), octocrylene (OC), and 4-methylbenzylidene camphor (4-MBC), was defined. In the first step, standard solutions of the analytes prepared in methanol were investigated in order to determine optimum parameters for the DART-MS. Because of the very low concentrations of UV filters expected in environmental water samples, a pre-concentration step using stir bar sorptive extraction was performed. DART-MS allows the direct, simple and rapid semi-quantitative analysis of the analytes enriched on the surface of the polydimethylsiloxane-coated stir bars. The optimized method provided calibration curves with correlation coefficients R\\textgreater0.959, repeatability from 5% (for 4-MBC) to 30% (for BM-DBM) relative standard deviation and limits of detection lower than 40 ng L−1 for all analytes. Finally, real lake water samples from locations with typical leisure activities were analyzed. Results obtained with the developed DART-MS method were cross-checked by confirmatory analysis using thermodesorption gas chromatography mass spectrometry (TD-GC-MS). Thereby, it could be demonstrated that both analytical methods provide comparable concentrations for the UV filters in the lake water samples.\n
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\n \n\n \n \n \n \n \n Applications of Direct Analysis in Real Time Mass Spectrometry (DART-MS) in Allium Chemistry. (Z)-Butanethial S-Oxide and 1-Butenyl Thiosulfinates and Their S-(E)-1-Butenylcysteine S-Oxide Precursor from Allium siculum.\n \n \n \n\n\n \n Kubec, R.; Cody, R.; Dane, A.; Musah, R.; Schraml, J.; Vattekkatte, A.; and Block, E.\n\n\n \n\n\n\n Journal of Agricultural and Food Chemistry, 58(2): 1121–1128. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kubec_applications_2010,\n\ttitle = {Applications of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) in {Allium} {Chemistry}. ({Z})-{Butanethial} {S}-{Oxide} and 1-{Butenyl} {Thiosulfinates} and {Their} {S}-({E})-1-{Butenylcysteine} {S}-{Oxide} {Precursor} from {Allium} siculum},\n\tvolume = {58},\n\tissn = {0021-8561},\n\tdoi = {10.1021/jf903733e},\n\tabstract = {Lachrymatory (Z)-butanethial S-oxide along with several 1-butenyl thiosulfinates was detected by DART mass spectrometry upon cutting Allium siculum, a popular ornamental Allium species used in some cultures as a spice. (Z)-Butanethial S-oxide isolated from the plant was shown to be identical to a synthetic sample. Its likely precursor, (RS,RC,E)-S-(1-butenyl)cysteine S-oxide (homoisoalliin), was isolated from homogenates of A. siculum, and a closely related species Allium tripedale, and fully characterized. Through use of LC-MS, a series of related γ-glutamyl derivatives were tentatively identified in A. siculum and A. tripedale homogenates, including γ-glutamyl-(E)-S-(1-butenyl)cysteine and its S-oxide, γ-glutamyl-S-butylcysteine and its S-oxide, and γ-glutamyl-S-methylcysteine and its S-oxide. Because compounds containing the 1-butenyl group have not been previously identified in genus Allium species, this work extends the range of known Allium sulfur compounds. The general applicability of DART mass spectrometry in identifying naturally occurring, thermally fragile thial S-oxides and thiosulfinates is illustrated with onion, Allium cepa, as well as a plant from a different genus, Petiveria alliacea.},\n\tnumber = {2},\n\tjournal = {Journal of Agricultural and Food Chemistry},\n\tauthor = {Kubec, R. and Cody, R.B. and Dane, A.J. and Musah, R.A. and Schraml, J. and Vattekkatte, A. and Block, E.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1121--1128},\n}\n\n\n\n
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\n Lachrymatory (Z)-butanethial S-oxide along with several 1-butenyl thiosulfinates was detected by DART mass spectrometry upon cutting Allium siculum, a popular ornamental Allium species used in some cultures as a spice. (Z)-Butanethial S-oxide isolated from the plant was shown to be identical to a synthetic sample. Its likely precursor, (RS,RC,E)-S-(1-butenyl)cysteine S-oxide (homoisoalliin), was isolated from homogenates of A. siculum, and a closely related species Allium tripedale, and fully characterized. Through use of LC-MS, a series of related γ-glutamyl derivatives were tentatively identified in A. siculum and A. tripedale homogenates, including γ-glutamyl-(E)-S-(1-butenyl)cysteine and its S-oxide, γ-glutamyl-S-butylcysteine and its S-oxide, and γ-glutamyl-S-methylcysteine and its S-oxide. Because compounds containing the 1-butenyl group have not been previously identified in genus Allium species, this work extends the range of known Allium sulfur compounds. The general applicability of DART mass spectrometry in identifying naturally occurring, thermally fragile thial S-oxides and thiosulfinates is illustrated with onion, Allium cepa, as well as a plant from a different genus, Petiveria alliacea.\n
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\n \n\n \n \n \n \n \n \n Molecular Analysis of Primary Vapor and Char Products during Stepwise Pyrolysis of Poplar Biomass.\n \n \n \n \n\n\n \n Jones, R. W.; Reinot, T.; and McClelland, J. F.\n\n\n \n\n\n\n Energy & Fuels, 24(9): 5199–5209. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"MolecularPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{jones_molecular_2010,\n\ttitle = {Molecular {Analysis} of {Primary} {Vapor} and {Char} {Products} during {Stepwise} {Pyrolysis} of {Poplar} {Biomass}},\n\tvolume = {24},\n\turl = {http://dx.doi.org/10.1021/ef100655n},\n\tdoi = {10.1021/ef100655n},\n\tabstract = {Pyrolysis of biomass produces both pyrolysis oil and solid char. In this study, poplar has been pyrolyzed in a stepwise fashion over a series of temperatures from 200 to 500 °C, and both the primary products contributing to pyrolysis oil and the changes in the pyrolyzing poplar surface leading toward char have been characterized at each step. The primary products were identified by direct analysis in real time (DART) mass spectrometry, and the changes in the poplar surface were monitored using Fourier transform infrared (FTIR) photoacoustic spectroscopy, with a sampling depth of a few micrometers. The primary products from pyrolyzing cellulose, xylan, and lignin under similar conditions were also characterized to identify the sources of the poplar products.},\n\tnumber = {9},\n\tjournal = {Energy \\& Fuels},\n\tauthor = {Jones, Roger W. and Reinot, Tonu and McClelland, John F.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {5199--5209},\n}\n\n\n\n
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\n Pyrolysis of biomass produces both pyrolysis oil and solid char. In this study, poplar has been pyrolyzed in a stepwise fashion over a series of temperatures from 200 to 500 °C, and both the primary products contributing to pyrolysis oil and the changes in the pyrolyzing poplar surface leading toward char have been characterized at each step. The primary products were identified by direct analysis in real time (DART) mass spectrometry, and the changes in the poplar surface were monitored using Fourier transform infrared (FTIR) photoacoustic spectroscopy, with a sampling depth of a few micrometers. The primary products from pyrolyzing cellulose, xylan, and lignin under similar conditions were also characterized to identify the sources of the poplar products.\n
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\n \n\n \n \n \n \n \n Capabilities of direct analysis in real time mass spectrometry and gas chromatography-mass spectrometry in the mint oil test.\n \n \n \n\n\n \n Chernetsova, E. S.; Khomyakov, Y. Y.; Goryainov, S. V.; Ovcharov, M. V.; Bochkov, P. O.; Zatonsky, G. V.; Zhokhov, S. S.; and Abramovich, R. A.\n\n\n \n\n\n\n Mendeleev Communications, 20(5): 299–300. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{chernetsova_capabilities_2010,\n\ttitle = {Capabilities of direct analysis in real time mass spectrometry and gas chromatography-mass spectrometry in the mint oil test},\n\tvolume = {20},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry is compared to gas chromatography–mass spectrometry by the example of mint essential oil analysis.},\n\tnumber = {5},\n\tjournal = {Mendeleev Communications},\n\tauthor = {Chernetsova, Elena S. and Khomyakov, Yuri Yu. and Goryainov, Sergey V. and Ovcharov, Maxim V. and Bochkov, Pavel O. and Zatonsky, George V. and Zhokhov, Sergey S. and Abramovich, Rimma A.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {299--300},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) mass spectrometry is compared to gas chromatography–mass spectrometry by the example of mint essential oil analysis.\n
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\n \n\n \n \n \n \n \n Recognition of beer brand based on multivariate analysis of volatile fingerprint.\n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1217(25): 4195–4203. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cajka_recognition_2010,\n\ttitle = {Recognition of beer brand based on multivariate analysis of volatile fingerprint},\n\tvolume = {1217},\n\tdoi = {10.1016/j.chroma.2009.12.049},\n\tabstract = {Automated head-space solid-phase microextraction (HS-SPME)-based sampling procedure, coupled to gas chromatography-time-of-flight mass spectrometry (GC-TOFMS), was developed and employed for obtaining of fingerprints (GC profiles) of beer volatiles. In total, 265 speciality beer samples were collected over a 1-year period with the aim to distinguish, based on analytical (profiling) data, (i) the beers labelled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. For the chemometric evaluation of the data, partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) were tested. The best prediction ability was obtained for the model that distinguished a group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided 100\\% correct classification. Slightly worse prediction abilities were achieved for the models "Trappist vs. non-Trappist beers" with the values of 93.9\\% (PLS-DA), 91.9\\% (LDA) and 97.0\\% (ANN-MLP) and "Rochefort 8 vs. the rest" with the values of 87.9\\% (PLS-DA) and 84.8\\% (LDA) and 93.9\\% (ANN-MLP). In addition to chromatographic profiling, also the potential of direct coupling of SPME (extraction/pre-concentration device) with high-resolution TOFMS employing a direct analysis in real time (DART) ion source has been demonstrated as a challenging profiling approach.},\n\tnumber = {25},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Cajka, T. and Riddellova, K. and Tomaniova, M. and Hajslova, J.},\n\tyear = {2010},\n\tkeywords = {DART; AccuTOF},\n\tpages = {4195--4203},\n}\n\n\n\n
\n
\n\n\n
\n Automated head-space solid-phase microextraction (HS-SPME)-based sampling procedure, coupled to gas chromatography-time-of-flight mass spectrometry (GC-TOFMS), was developed and employed for obtaining of fingerprints (GC profiles) of beer volatiles. In total, 265 speciality beer samples were collected over a 1-year period with the aim to distinguish, based on analytical (profiling) data, (i) the beers labelled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. For the chemometric evaluation of the data, partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) were tested. The best prediction ability was obtained for the model that distinguished a group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided 100% correct classification. Slightly worse prediction abilities were achieved for the models \"Trappist vs. non-Trappist beers\" with the values of 93.9% (PLS-DA), 91.9% (LDA) and 97.0% (ANN-MLP) and \"Rochefort 8 vs. the rest\" with the values of 87.9% (PLS-DA) and 84.8% (LDA) and 93.9% (ANN-MLP). In addition to chromatographic profiling, also the potential of direct coupling of SPME (extraction/pre-concentration device) with high-resolution TOFMS employing a direct analysis in real time (DART) ion source has been demonstrated as a challenging profiling approach.\n
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\n \n\n \n \n \n \n \n Applications of Direct Analysis in Real Time Mass Spectrometry (DART-MS) in Allium Chemistry. 2-Propenesulfenic and 2-Propenesulfinic Acids, Diallyl Trisulfane S-Oxide, and Other Reactive Sulfur Compounds from Crushed Garlic and Other Alliums.\n \n \n \n\n\n \n Block, E.; Dane, A.; Thomas, S.; and Cody, R.\n\n\n \n\n\n\n Journal of Agricultural and Food Chemistry, 58(8): 4617–4625. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{block_applications_2010,\n\ttitle = {Applications of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) in {Allium} {Chemistry}. 2-{Propenesulfenic} and 2-{Propenesulfinic} {Acids}, {Diallyl} {Trisulfane} {S}-{Oxide}, and {Other} {Reactive} {Sulfur} {Compounds} from {Crushed} {Garlic} and {Other} {Alliums}},\n\tvolume = {58},\n\tdoi = {10.1021/jf1000106},\n\tabstract = {Through the use of direct analysis in real time mass spectrometry (DART-MS), 2-propenesulfenic acid, an intermediate long postulated as being formed when garlic (Allium sativum) is crushed, has been detected for the first time and determined by mass spectrometric methods to have a half-life of {\\textless}1 s at room temperature. Two other key intermediates, 2-propenesulfinic acid and diallyl trisulfane S-oxide, have also been detected for the first time in volatiles from crushed garlic, along with allicin and related thiosulfinates, allyl alcohol, sulfur dioxide, propene, and pyruvate as coproducts. A commercial dietary supplement containing garlic powder, which was sampled after crushing, was found to contain alliin, methiin, and S-allylcysteine and produced allicin upon addition of water. DART-MS detection of 1-butenesulfenic acid from the ornamental A. siculum is also reported. (Z)-Propanethial S-oxide (onion lachrymatory factor), absent in garlic, is found to be formed from crushed elephant garlic (Allium ampeloprasum), consistent with the classification of this plant as a closer relative of leek than of garlic. Mixtures of thiosulfinates, lachrymatory thial S-oxides, and related compounds are directly observed from crushed leek (Allium porrum) and Chinese chive (Allium tuberosum). Disulfanes and polysulfanes are detected only when the Allium samples are heated, consistent with earlier conclusions that these are not primary products from cut or crushed alliums.},\n\tnumber = {8},\n\tjournal = {Journal of Agricultural and Food Chemistry},\n\tauthor = {Block, E. and Dane, A.J. and Thomas, S. and Cody, R.B.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {4617--4625},\n}\n\n\n\n
\n
\n\n\n
\n Through the use of direct analysis in real time mass spectrometry (DART-MS), 2-propenesulfenic acid, an intermediate long postulated as being formed when garlic (Allium sativum) is crushed, has been detected for the first time and determined by mass spectrometric methods to have a half-life of \\textless1 s at room temperature. Two other key intermediates, 2-propenesulfinic acid and diallyl trisulfane S-oxide, have also been detected for the first time in volatiles from crushed garlic, along with allicin and related thiosulfinates, allyl alcohol, sulfur dioxide, propene, and pyruvate as coproducts. A commercial dietary supplement containing garlic powder, which was sampled after crushing, was found to contain alliin, methiin, and S-allylcysteine and produced allicin upon addition of water. DART-MS detection of 1-butenesulfenic acid from the ornamental A. siculum is also reported. (Z)-Propanethial S-oxide (onion lachrymatory factor), absent in garlic, is found to be formed from crushed elephant garlic (Allium ampeloprasum), consistent with the classification of this plant as a closer relative of leek than of garlic. Mixtures of thiosulfinates, lachrymatory thial S-oxides, and related compounds are directly observed from crushed leek (Allium porrum) and Chinese chive (Allium tuberosum). Disulfanes and polysulfanes are detected only when the Allium samples are heated, consistent with earlier conclusions that these are not primary products from cut or crushed alliums.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time Ion Source.\n \n \n \n\n\n \n Cody, R. B.; and Dane, A. J.\n\n\n \n\n\n\n In Meyers, R. A., editor(s), Encyclopedia of Analytical Chemistry. John Wiley & Sons, Ltd., Published online: December 15, 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@incollection{cody_direct_2010,\n\taddress = {Published online: December 15},\n\ttitle = {Direct {Analysis} in {Real} {Time} {Ion} {Source}},\n\tisbn = {978-0-470-02731-8},\n\tabstract = {Direct Analysis in Real Time (DARTTM) refers to an atmospheric-pressure “open-air” ion source that is based on the interaction of long-lived (“metastable”) excited-state neutral atoms or molecules with analytes and atmospheric gases. The DART source is used for the rapid analysis of liquids, solids, vapors, or materials on surfaces in open air with little or no sample preparation.},\n\tbooktitle = {Encyclopedia of {Analytical} {Chemistry}},\n\tpublisher = {John Wiley \\& Sons, Ltd.},\n\tauthor = {Cody, Robert B. and Dane, A. John},\n\teditor = {Meyers, Robert A.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DARTTM) refers to an atmospheric-pressure “open-air” ion source that is based on the interaction of long-lived (“metastable”) excited-state neutral atoms or molecules with analytes and atmospheric gases. The DART source is used for the rapid analysis of liquids, solids, vapors, or materials on surfaces in open air with little or no sample preparation.\n
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\n \n\n \n \n \n \n \n The use of DART mass spectrometry for express confirmation of empirical formulas of heterocyclic compounds.\n \n \n \n\n\n \n Chernetsova, E.; Ovcharov, M.; Khomyakov, Y. Y.; Bochkov, P.; and Varlamov, A.\n\n\n \n\n\n\n Russian Chemical Bulletin, 59(10): 2014–2015. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_use_2010,\n\ttitle = {The use of {DART} mass spectrometry for express confirmation of empirical formulas of heterocyclic compounds},\n\tvolume = {59},\n\tabstract = {The results of studying the possibility of using DART spectrometry with a time-of-flight mass analyzer to confirm the elemental composition of heterocyclic compounds are presented. The method makes it possible to rapidly determine the molecular weight and to calculate the empirical formula of organic synthesis product.},\n\tnumber = {10},\n\tjournal = {Russian Chemical Bulletin},\n\tauthor = {Chernetsova, E.S. and Ovcharov, M.V. and Khomyakov, Yu. Yu. and Bochkov, P.O. and Varlamov, A.V.},\n\tyear = {2010},\n\tkeywords = {DART mass spectrometry; heterocyclic compounds; AccuTOF},\n\tpages = {2014--2015},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The results of studying the possibility of using DART spectrometry with a time-of-flight mass analyzer to confirm the elemental composition of heterocyclic compounds are presented. The method makes it possible to rapidly determine the molecular weight and to calculate the empirical formula of organic synthesis product.\n
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\n \n\n \n \n \n \n \n \n The coupling of direct analysis in real time ionization to Fourier transform ion cyclotron resonance mass spectrometry for ultrahigh-resolution mass analysis.\n \n \n \n \n\n\n \n Rummel, J. L.; McKenna, A. M.; Marshall, A. G.; Eyler, J. R.; and Powell, D. H.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(6): 784–790. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{rummel_coupling_2010,\n\ttitle = {The coupling of direct analysis in real time ionization to {Fourier} transform ion cyclotron resonance mass spectrometry for ultrahigh-resolution mass analysis},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4450},\n\tdoi = {10.1002/rcm.4450},\n\tabstract = {Direct Analysis in Real Time (DART) is an ambient ionization technique for mass spectrometry that provides rapid and sensitive analyses with little or no sample preparation. DART has been reported primarily for mass analyzers of low to moderate resolving power such as quadrupole ion traps and time-of-flight (TOF) mass spectrometers. In the current work, a custom-built DART source has been successfully coupled to two different Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers for the first time. Comparison of spectra of the isobaric compounds, diisopropyl methylphosphonate and theophylline, acquired by 4.7 T FT-ICR MS and TOF MS, demonstrates that the TOF resolving power can be insufficient for compositionally complex samples. 9.4 T FT-ICR MS yielded the highest mass resolving power yet reported with DART ionization for 1,2-benzanthracene and 9,10-diphenylanthracene. Polycyclic aromatic hydrocarbons exhibit a spatial dependence in ionization mechanisms between the DART source and the mass spectrometer. The feasibility of analyzing a variety of samples was established with the introduction and analysis of food products and crude oil samples. DART FT-ICR MS provides complex sample analysis that is rapid, highly selective and information-rich, but limited to relatively low-mass analytes. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {6},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rummel, Julia L. and McKenna, Amy M. and Marshall, Alan G. and Eyler, John R. and Powell, David H.},\n\tyear = {2010},\n\tkeywords = {FT-ICR},\n\tpages = {784--790},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART) is an ambient ionization technique for mass spectrometry that provides rapid and sensitive analyses with little or no sample preparation. DART has been reported primarily for mass analyzers of low to moderate resolving power such as quadrupole ion traps and time-of-flight (TOF) mass spectrometers. In the current work, a custom-built DART source has been successfully coupled to two different Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers for the first time. Comparison of spectra of the isobaric compounds, diisopropyl methylphosphonate and theophylline, acquired by 4.7 T FT-ICR MS and TOF MS, demonstrates that the TOF resolving power can be insufficient for compositionally complex samples. 9.4 T FT-ICR MS yielded the highest mass resolving power yet reported with DART ionization for 1,2-benzanthracene and 9,10-diphenylanthracene. Polycyclic aromatic hydrocarbons exhibit a spatial dependence in ionization mechanisms between the DART source and the mass spectrometer. The feasibility of analyzing a variety of samples was established with the introduction and analysis of food products and crude oil samples. DART FT-ICR MS provides complex sample analysis that is rapid, highly selective and information-rich, but limited to relatively low-mass analytes. Copyright © 2010 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of stabilisers in polypropylene using time-of-flight mass spectrometry and DART as ion source.\n \n \n \n \n\n\n \n Haunschmidt, M.; Klampfl, C. W.; Buchberger, W.; and Hertsens, R.\n\n\n \n\n\n\n The Analyst, 135(1): 80. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_rapid_2010,\n\ttitle = {Rapid identification of stabilisers in polypropylene using time-of-flight mass spectrometry and {DART} as ion source},\n\tvolume = {135},\n\tissn = {0003-2654, 1364-5528},\n\turl = {http://xlink.rsc.org/?DOI=b911040b},\n\tdoi = {10.1039/b911040b},\n\tabstract = {A method for analysing plastic samples without any sample pretreatment using direct analysis in real time mass spectrometry (DART-MS) was developed. DART-MS allows the direct, simple and rapid identification of polymer additives in plastic products. To demonstrate the suitability of DART-MS for the detection of a wide range of commonly employed stabilising agents, a test set of 21 stabilisers was selected. In a first step standard solutions of these stabilisers in toluene as well as toluene-extracts from polymer samples were analysed. Subsequently, to prove the applicability of the developed DART-MS method also for the direct analysis of plastic products, samples of polypropylene containing a range of stabilisers were prepared using a lab-scale compounder. Polymer samples were cut into 0.5 cm wide pieces and directly placed into the DART ion source. Focusing on the DART ionisation, several parameters like discharge needle potential, potential of the grid electrode and the discharge electrode, the heater temperature and the gas flow had to be varied to guarantee optimum results. Both positive and negative ionisation was tested, whereby the positive ion mode led to higher signal intensities for all analytes. Determination of accurate masses to improve the certainty in signal assignment could be achieved by using PEG 600 as an internal standard for mass calibration. The developed method allowed the detection of all selected additives (including some of their degradation products) in real polymer samples.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {The Analyst},\n\tauthor = {Haunschmidt, Manuela and Klampfl, Christian W. and Buchberger, Wolfgang and Hertsens, Robert},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {80},\n}\n\n\n\n
\n
\n\n\n
\n A method for analysing plastic samples without any sample pretreatment using direct analysis in real time mass spectrometry (DART-MS) was developed. DART-MS allows the direct, simple and rapid identification of polymer additives in plastic products. To demonstrate the suitability of DART-MS for the detection of a wide range of commonly employed stabilising agents, a test set of 21 stabilisers was selected. In a first step standard solutions of these stabilisers in toluene as well as toluene-extracts from polymer samples were analysed. Subsequently, to prove the applicability of the developed DART-MS method also for the direct analysis of plastic products, samples of polypropylene containing a range of stabilisers were prepared using a lab-scale compounder. Polymer samples were cut into 0.5 cm wide pieces and directly placed into the DART ion source. Focusing on the DART ionisation, several parameters like discharge needle potential, potential of the grid electrode and the discharge electrode, the heater temperature and the gas flow had to be varied to guarantee optimum results. Both positive and negative ionisation was tested, whereby the positive ion mode led to higher signal intensities for all analytes. Determination of accurate masses to improve the certainty in signal assignment could be achieved by using PEG 600 as an internal standard for mass calibration. The developed method allowed the detection of all selected additives (including some of their degradation products) in real polymer samples.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of additives in poly(vinyl chloride) lid gaskets by direct analysis in real time ionisation and single-quadrupole mass spectrometry.\n \n \n \n \n\n\n \n Rothenbacher, T.; and Schwack, W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(1): 21–29. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{rothenbacher_rapid_2010,\n\ttitle = {Rapid identification of additives in poly(vinyl chloride) lid gaskets by direct analysis in real time ionisation and single-quadrupole mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4350},\n\tdoi = {10.1002/rcm.4350},\n\tabstract = {Gaskets for lids of glass jars usually consist of poly(vinyl chloride) (PVC) containing plasticisers and additional additives, which may migrate into packed foodstuffs. To conform to legal regulations, any such migration has to be determined analytically, which is a big challenge due to the huge chemical variety of additives in use. Therefore, a rapid screening method by means of direct analysis in real time mass spectrometry (DART-MS), using a single-quadrupole mass spectrometer, was developed. On introducing a plastisol sample into the DART interface, protonated molecules and ammonium adducts were obtained as the typical ionisation products of any additives present, and cleavages of ester bonds as typical fragmentation processes. Generally, additives present in the 1\\% range could be directly and easily identified if ion suppressive effects deriving from specific molecules did not occur. These effects could be avoided by analysing toluene extracts of plastisol samples, and this also improved the sensivity. Using this method, it was possible to identify phthalates, fatty acid amides, tributyl O-acetylcitrate, dibutyl sebacate, bis(2-ethylhexyl) adipate, 1,2-diisononyl 1,2-cyclohexanedicarboxylate, and even more complex additives like acetylated mono- and diacylglycerides, epoxidised soybean oil, and polyadipates, with a limit of detection of ≤1\\% in PVC plastisols. Only in the case of epoxidised linseed oil were levels of ≥5\\% required for identification. The detection of azodicarbonamide, used as a foaming agent within the manufacturing process, was possible in principle, but was not highly reproducible due to the very low concentrations in plastisols. Copyright © 2009 John Wiley \\& Sons, Ltd.},\n\tnumber = {1},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rothenbacher, Thorsten and Schwack, Wolfgang},\n\tyear = {2010},\n\tkeywords = {Agilent Quad},\n\tpages = {21--29},\n}\n\n\n\n
\n
\n\n\n
\n Gaskets for lids of glass jars usually consist of poly(vinyl chloride) (PVC) containing plasticisers and additional additives, which may migrate into packed foodstuffs. To conform to legal regulations, any such migration has to be determined analytically, which is a big challenge due to the huge chemical variety of additives in use. Therefore, a rapid screening method by means of direct analysis in real time mass spectrometry (DART-MS), using a single-quadrupole mass spectrometer, was developed. On introducing a plastisol sample into the DART interface, protonated molecules and ammonium adducts were obtained as the typical ionisation products of any additives present, and cleavages of ester bonds as typical fragmentation processes. Generally, additives present in the 1% range could be directly and easily identified if ion suppressive effects deriving from specific molecules did not occur. These effects could be avoided by analysing toluene extracts of plastisol samples, and this also improved the sensivity. Using this method, it was possible to identify phthalates, fatty acid amides, tributyl O-acetylcitrate, dibutyl sebacate, bis(2-ethylhexyl) adipate, 1,2-diisononyl 1,2-cyclohexanedicarboxylate, and even more complex additives like acetylated mono- and diacylglycerides, epoxidised soybean oil, and polyadipates, with a limit of detection of ≤1% in PVC plastisols. Only in the case of epoxidised linseed oil were levels of ≥5% required for identification. The detection of azodicarbonamide, used as a foaming agent within the manufacturing process, was possible in principle, but was not highly reproducible due to the very low concentrations in plastisols. Copyright © 2009 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Selective ionization of melamine in powdered milk by using argon direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Dane, A. J.; and Cody, R. B.\n\n\n \n\n\n\n Analyst, 135(4): 696–699. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{dane_selective_2010,\n\ttitle = {Selective ionization of melamine in powdered milk by using argon direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {135},\n\tdoi = {10.1039/B923561B},\n\tabstract = {5-Hydroxymethylfurfural (5-HMF) is a compound with the elemental composition C6H6O3 that is present in powdered milk. Protonated 5-HMF (calculated m/z 127.0395) has the same nominal m/z as protonated melamine (calculated m/z 127.0732) and can interfere with direct analysis of melamine in powdered milk. Tandem mass spectrometry and high-resolution mass spectrometry have been previously used to distinguish melamine from 5-HMF. An alternative approach is presented here that uses the direct analysis in real time (DART) ion source operated with argon gas in combination with acetylacetone and pyridine reagent gases to selectively ionize melamine and eliminate the interference from 5-HMF. High-resolution/accurate mass data were used to verify the elimination of the 5-HMF interference and confirm the melamine elemental composition. With further refinement, this technique could lead to a rapid analysis method for screening large numbers of samples.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Dane, A. John and Cody, R. B.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {696--699},\n}\n\n\n\n
\n
\n\n\n
\n 5-Hydroxymethylfurfural (5-HMF) is a compound with the elemental composition C6H6O3 that is present in powdered milk. Protonated 5-HMF (calculated m/z 127.0395) has the same nominal m/z as protonated melamine (calculated m/z 127.0732) and can interfere with direct analysis of melamine in powdered milk. Tandem mass spectrometry and high-resolution mass spectrometry have been previously used to distinguish melamine from 5-HMF. An alternative approach is presented here that uses the direct analysis in real time (DART) ion source operated with argon gas in combination with acetylacetone and pyridine reagent gases to selectively ionize melamine and eliminate the interference from 5-HMF. High-resolution/accurate mass data were used to verify the elimination of the 5-HMF interference and confirm the melamine elemental composition. With further refinement, this technique could lead to a rapid analysis method for screening large numbers of samples.\n
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\n \n\n \n \n \n \n \n Allium chemistry: Use of new instrumental techniques to “see” reactive organosulfur species formed upon crushing garlic and onion.\n \n \n \n\n\n \n Block, E.; Cody, R.; Dane, A.; Sheridan, R.; Vattekkatte, A.; and Wang, K.\n\n\n \n\n\n\n Pure and Applied Chemistry, 82(3): 535–539. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{block_allium_2010,\n\ttitle = {Allium chemistry: {Use} of new instrumental techniques to “see” reactive organosulfur species formed upon crushing garlic and onion},\n\tvolume = {82},\n\tdoi = {10.1351/PAC-CON-09-08-12},\n\tabstract = {Three different instrumental methods have been used to examine the organosulfur chemistry of intact and cut garlic and onions: X-ray fluorescence spectroscopic imaging (XFS), direct analysis in real time (DART) mass spec-trometry, and ultra-performance liquid chromatography-(Ag+)-coordination ion spray mass spectrometry (UPLC–(Ag+)CIS–MS). The first technique has been used to map the location of different chemical forms of sulfur in intact and damaged onion cells, the second technique, to identify the reactive, volatile sulfur compounds formed on cutting the plants, and the third technique, to identify members of families of polysulfides  found in the distilled oil of garlic.},\n\tnumber = {3},\n\tjournal = {Pure and Applied Chemistry},\n\tauthor = {Block, E. and Cody, R.B. and Dane, A.J. and Sheridan, R. and Vattekkatte, A. and Wang, K.},\n\tyear = {2010},\n\tkeywords = {direct analysis in real time; garlic; mass spectrometry; onion; sulfur compounds; ultra-performance liquid chromatography; X-ray fluorescence spectroscopy, AccuTOF},\n\tpages = {535--539},\n}\n\n\n\n
\n
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\n Three different instrumental methods have been used to examine the organosulfur chemistry of intact and cut garlic and onions: X-ray fluorescence spectroscopic imaging (XFS), direct analysis in real time (DART) mass spec-trometry, and ultra-performance liquid chromatography-(Ag+)-coordination ion spray mass spectrometry (UPLC–(Ag+)CIS–MS). The first technique has been used to map the location of different chemical forms of sulfur in intact and damaged onion cells, the second technique, to identify the reactive, volatile sulfur compounds formed on cutting the plants, and the third technique, to identify members of families of polysulfides found in the distilled oil of garlic.\n
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\n \n\n \n \n \n \n \n Profiling of Piper betle Linn. cultivars by direct analysis in real time mass spectrometric technique.\n \n \n \n\n\n \n Bajpai, V.; Sharma, D.; Kumar, B.; and Madhusudanan, K. P.\n\n\n \n\n\n\n Biomedical Chromatography, 24(12): 1283–1286. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{bajpai_profiling_2010,\n\ttitle = {Profiling of {Piper} betle {Linn}. cultivars by direct analysis in real time mass spectrometric technique},\n\tvolume = {24},\n\tdoi = {10.1002/bmc.1437},\n\tabstract = {Piper betle Linn. is a traditional plant associated with the Asian and southeast Asian cultures. Its use is also recorded in folk medicines in these regions. Several of its medicinal properties have recently been proven. Phytochemical analysis showed the presence of mainly terpenes and phenols in betel leaves. These constituents vary in the different cultivars of Piper betle. In this paper we have attempted to profile eight locally available betel cultivars using the recently developed mass spectral ionization technique of direct analysis in real time (DART). Principal component analysis has also been employed to analyze the DART MS data of these betel cultivars. The results show that the cultivars of Piper betle could be differentiated using DART MS data.},\n\tnumber = {12},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Bajpai, Vikas and Sharma, Deepty and Kumar, Brijesh and Madhusudanan, K. P.},\n\tyear = {2010},\n\tkeywords = {DARTMS; Piper betle L; cultivars; profiling; PCA; AccuTOF},\n\tpages = {1283--1286},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n Piper betle Linn. is a traditional plant associated with the Asian and southeast Asian cultures. Its use is also recorded in folk medicines in these regions. Several of its medicinal properties have recently been proven. Phytochemical analysis showed the presence of mainly terpenes and phenols in betel leaves. These constituents vary in the different cultivars of Piper betle. In this paper we have attempted to profile eight locally available betel cultivars using the recently developed mass spectral ionization technique of direct analysis in real time (DART). Principal component analysis has also been employed to analyze the DART MS data of these betel cultivars. The results show that the cultivars of Piper betle could be differentiated using DART MS data.\n
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\n \n\n \n \n \n \n \n Analysis of multiple mycotoxins in cereals under ambient conditions using direct analysis in real time (DART) ionization coupled to high resolution mass spectrometry.\n \n \n \n\n\n \n Vaclavik, L.; Zachariasova, M.; Hrbek, V.; and Hajslova, J.\n\n\n \n\n\n\n Talanta, 82(5): 1950–1957. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_analysis_2010,\n\ttitle = {Analysis of multiple mycotoxins in cereals under ambient conditions using direct analysis in real time ({DART}) ionization coupled to high resolution mass spectrometry},\n\tvolume = {82},\n\tabstract = {Direct analysis in real time (DART) ionization coupled to an (ultra)high resolution mass spectrometer based on orbitrap technology (orbitrapMS) was used for rapid quantitative analysis of multiple mycotoxins isolated from wheat and maize by modified QuEChERS procedure. After initial evaluation of ionization efficiencies for major groups of mycotoxins achievable with DART technology, sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of most intensively ionizing toxins (deoxynivalenol, nivalenol, zearalenon, actyldeoxynivalenol, deepoxy-deoxynivalenol, fusarenon-X, altenuene, alternariol, alternariolmethylether, diacetoxyscirpenol,\nsterigmatocystin). The lowest calibration levels (LCLs) estimated for the respective analytes ranged from 50 to 150 [mu]g kg-1. Quantitative\nanalysis was performed either with the use of matrix-matched standards or by employing commercially available 13C-labeled internal standards\n(available for deoxynivalenol, nivalenol and zearalenon). Good recoveries (100-108\\%) and repeatabilities (RSD 5.4-6.9\\%) were obtained\nat spiking level 500 [mu]g kg-1 with isotope dilution technique. Based on matrix-matched calibration, recoveries and repeatabilities were in\nthe range 84-118\\% and 7.9-12.0\\% (RSD), respectively. The trueness of data obtained for deoxynivalenol and zearalenon in wheat/maize by DART-orbitrapMS was demonstrated by analysis of certified reference materials (CRMs). Good agreement of these results with data generated\nby validated ultra-high pressure liquid chromatography-time-of-flight mass spectrometry method was documented.},\n\tnumber = {5},\n\tjournal = {Talanta},\n\tauthor = {Vaclavik, Lukas and Zachariasova, Milena and Hrbek, Vojtech and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Orbitrap},\n\tpages = {1950--1957},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) ionization coupled to an (ultra)high resolution mass spectrometer based on orbitrap technology (orbitrapMS) was used for rapid quantitative analysis of multiple mycotoxins isolated from wheat and maize by modified QuEChERS procedure. After initial evaluation of ionization efficiencies for major groups of mycotoxins achievable with DART technology, sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of most intensively ionizing toxins (deoxynivalenol, nivalenol, zearalenon, actyldeoxynivalenol, deepoxy-deoxynivalenol, fusarenon-X, altenuene, alternariol, alternariolmethylether, diacetoxyscirpenol, sterigmatocystin). The lowest calibration levels (LCLs) estimated for the respective analytes ranged from 50 to 150 [mu]g kg-1. Quantitative analysis was performed either with the use of matrix-matched standards or by employing commercially available 13C-labeled internal standards (available for deoxynivalenol, nivalenol and zearalenon). Good recoveries (100-108%) and repeatabilities (RSD 5.4-6.9%) were obtained at spiking level 500 [mu]g kg-1 with isotope dilution technique. Based on matrix-matched calibration, recoveries and repeatabilities were in the range 84-118% and 7.9-12.0% (RSD), respectively. The trueness of data obtained for deoxynivalenol and zearalenon in wheat/maize by DART-orbitrapMS was demonstrated by analysis of certified reference materials (CRMs). Good agreement of these results with data generated by validated ultra-high pressure liquid chromatography-time-of-flight mass spectrometry method was documented.\n
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\n \n\n \n \n \n \n \n Investigations on the Coupling of High-Performance Liquid Chromatography to Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Eberherr, W.; Buchberger, W.; Hertsens, R.; and Klampfl, C.\n\n\n \n\n\n\n Analytical Chemistry, 82(13): 5792–5796. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{eberherr_investigations_2010,\n\ttitle = {Investigations on the {Coupling} of {High}-{Performance} {Liquid} {Chromatography} to {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {82},\n\tdoi = {10.1021/ac1008496},\n\tabstract = {A novel hyphenated technique namely the combination of HPLC with direct analysis in real time (DART) mass spectrometry (MS) is presented. The coupling of HPLC to DART-MS was achieved by a simple interface design with a capillary end piece transferring the HPLC effluent to the ionization region of the DART. Flow rates (0.3−1.6 mL min−1) and inner diameters of the capillary (50−150 μm) were harmonized to provide a stable liquid jet. Ionization-related parameters optimized included positioning of the capillary end piece with respect to He outlet of the ionization source and the MS inlet, He heater temperature and He flow rate. Among DART-MS voltages, the grid electrode voltage proved to have the most pronounced effect on signal intensities. A major benefit of this setup is the possibility to employ (commonly not MS-compatible) HPLC eluents such as phosphate buffers up to a phosphate concentration of 120 mM even at typical HPLC flow rates such as 1 mL min−1  and above without negative side effects like contamination of the ion source or ion suppression. Experiments evaluating the correlation of signal intensity to mass-flow and concentration revealed that DART-MS can be seen as a mass flow sensitive detector. The usability of this hyphenated technique has been tested on the example of four parabenes (measured in the negative ion mode) as well as a set of pyrazine derivatives (measured in the positive ion mode). For the parabenes limits of detection (LOD) in the range of 20−55 μg L−1 and linear ranges from at least 200−10000 μg L−1 with correlation coefficients better than 0.997 were obtained.},\n\tnumber = {13},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Eberherr, W. and Buchberger, W. and Hertsens, R. and Klampfl, C.W.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {5792--5796},\n}\n\n\n\n
\n
\n\n\n
\n A novel hyphenated technique namely the combination of HPLC with direct analysis in real time (DART) mass spectrometry (MS) is presented. The coupling of HPLC to DART-MS was achieved by a simple interface design with a capillary end piece transferring the HPLC effluent to the ionization region of the DART. Flow rates (0.3−1.6 mL min−1) and inner diameters of the capillary (50−150 μm) were harmonized to provide a stable liquid jet. Ionization-related parameters optimized included positioning of the capillary end piece with respect to He outlet of the ionization source and the MS inlet, He heater temperature and He flow rate. Among DART-MS voltages, the grid electrode voltage proved to have the most pronounced effect on signal intensities. A major benefit of this setup is the possibility to employ (commonly not MS-compatible) HPLC eluents such as phosphate buffers up to a phosphate concentration of 120 mM even at typical HPLC flow rates such as 1 mL min−1 and above without negative side effects like contamination of the ion source or ion suppression. Experiments evaluating the correlation of signal intensity to mass-flow and concentration revealed that DART-MS can be seen as a mass flow sensitive detector. The usability of this hyphenated technique has been tested on the example of four parabenes (measured in the negative ion mode) as well as a set of pyrazine derivatives (measured in the positive ion mode). For the parabenes limits of detection (LOD) in the range of 20−55 μg L−1 and linear ranges from at least 200−10000 μg L−1 with correlation coefficients better than 0.997 were obtained.\n
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\n \n\n \n \n \n \n \n \n Transmission-mode direct analysis in real time and desorption electrospray ionization mass spectrometry of insecticide-treated bednets for malaria control.\n \n \n \n \n\n\n \n Perez, J. J.; Harris, G. A.; Chipuk, J. E.; Brodbelt, J. S.; Green, M. D.; Hampton, C. Y.; and Fernandez, F. M.\n\n\n \n\n\n\n Analyst, 135(4): 712–719. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"Transmission-modePaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{perez_transmission-mode_2010,\n\ttitle = {Transmission-mode direct analysis in real time and desorption electrospray ionization mass spectrometry of insecticide-treated bednets for malaria control},\n\tvolume = {135},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/B924533B},\n\tabstract = {Transmission-mode direct analysis in real time (TM-DART) is presented as an alternative sampling strategy to traditional methods of sample introduction for DART MS analysis. A custom-designed sample holder was fabricated to rapidly and reproducibly position insecticide-treated nets normal to the ionizing metastable gas stream, enabling transmission of desorbed analyte ions through the holder cavity and into the MS. Introduction of the sample at this fixed geometry eliminates the need for optimizing sample position and allows spectra based on factors such as metastable gas temperature and flow to be systematically evaluated. The results presented here, supported by computational fluid dynamic simulations, demonstrate the effects of these factors on the resulting mass spectra and the potential of this sampling strategy to be used for qualitative and quantitative analyses. Transmission-mode desorption electrospray ionization (TM-DESI) experiments on similar insecticide-treated nets were performed for comparison purposes.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Perez, Jose J. and Harris, Glenn A. and Chipuk, Joseph E. and Brodbelt, Jennifer S. and Green, Michael D. and Hampton, Christina Y. and Fernandez, Facundo M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {712--719},\n}\n\n\n\n
\n
\n\n\n
\n Transmission-mode direct analysis in real time (TM-DART) is presented as an alternative sampling strategy to traditional methods of sample introduction for DART MS analysis. A custom-designed sample holder was fabricated to rapidly and reproducibly position insecticide-treated nets normal to the ionizing metastable gas stream, enabling transmission of desorbed analyte ions through the holder cavity and into the MS. Introduction of the sample at this fixed geometry eliminates the need for optimizing sample position and allows spectra based on factors such as metastable gas temperature and flow to be systematically evaluated. The results presented here, supported by computational fluid dynamic simulations, demonstrate the effects of these factors on the resulting mass spectra and the potential of this sampling strategy to be used for qualitative and quantitative analyses. Transmission-mode desorption electrospray ionization (TM-DESI) experiments on similar insecticide-treated nets were performed for comparison purposes.\n
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\n \n\n \n \n \n \n \n \n Ambient Pressure Desorption Ionization Mass Spectrometry in Support of Preclinical Pharmaceutical Development.\n \n \n \n \n\n\n \n Helmy, R.; Schafer, W.; Buhler, L.; Marcinko, S.; Musselman, B.; Guidry, E.; Jenkins, H.; Fleitz, F.; and Welch, C. J.\n\n\n \n\n\n\n Organic Process Research & Development, 14(2): 386–392. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{helmy_ambient_2010,\n\ttitle = {Ambient {Pressure} {Desorption} {Ionization} {Mass} {Spectrometry} in {Support} of {Preclinical} {Pharmaceutical} {Development}},\n\tvolume = {14},\n\tissn = {1083-6160, 1520-586X},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/op9002938},\n\tdoi = {10.1021/op9002938},\n\tabstract = {The use of ambient pressure desorption ionization mass spectrometry for the rapid analytical support of process and pharmaceutical development is demonstrated. The ability of direct analysis in real time (DART) technology to analyze both active pharmaceutical ingredients (APIs) and intermediates without sample preparation or the development of LC-based separations provided critical experimental results with minimal time required for method development. The utility and versatility of DART is shown for applications such as degradation studies, analysis of high-throughput catalyst screens, preparative-scale chromatography fractions, and impurity determination.},\n\tnumber = {2},\n\turldate = {2012-04-18},\n\tjournal = {Organic Process Research \\& Development},\n\tauthor = {Helmy, Roy and Schafer, Wes and Buhler, Leah and Marcinko, Stephen and Musselman, Brian and Guidry, Erin and Jenkins, Herb and Fleitz, Fred and Welch, Christopher J.},\n\tyear = {2010},\n\tkeywords = {Thermo LTQ},\n\tpages = {386--392},\n}\n\n\n\n
\n
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\n The use of ambient pressure desorption ionization mass spectrometry for the rapid analytical support of process and pharmaceutical development is demonstrated. The ability of direct analysis in real time (DART) technology to analyze both active pharmaceutical ingredients (APIs) and intermediates without sample preparation or the development of LC-based separations provided critical experimental results with minimal time required for method development. The utility and versatility of DART is shown for applications such as degradation studies, analysis of high-throughput catalyst screens, preparative-scale chromatography fractions, and impurity determination.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART) Mass Spectrometry of Nucleotides and Nucleosides: Elucidation of a Novel Fragment [C5H5O]+ and Its In-Source Adducts.\n \n \n \n\n\n \n Curtis, M. E.; Minier, M. A.; Chitranshi, P.; Sparkman, O. D.; Jones, P. R.; and Xue, L.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(8): 1371–1381. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{curtis_direct_2010,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry} of {Nucleotides} and {Nucleosides}: {Elucidation} of a {Novel} {Fragment} [{C5H5O}]+ and {Its} {In}-{Source} {Adducts}},\n\tvolume = {21},\n\tdoi = {10.1016/j.jasms.2010.03.046},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry is a recently developed innovative technology, which has shown broad applications for fast and convenient analysis of complex samples. Due to the ease of sample preparation, we have recently initiated an investigation of the feasibility of detecting nucleotides and nucleosides using the DART-AccuTOF instrument, which we will refer to as the DART mass spectrometer. Our experimental results reveal that the ions representing the intact molecules of nucleotides are not detectable in either positive-ion or negative-ion mode. Instead, all four natural nucleotides fragment in the DART ion source, and a common fragment ion, [C5H5O]+ (1), is observed, which is probably formed via multiple- elimination reactions. Interestingly, 1  can form adducts with nucleobases in different molar ratios in the DART ion source. In contrast to nucleotides, the ions representing the intact molecules of nucleosides are detected in both positive-ion and negative-ion mode using DART mass spectrometry. Surprisingly, the fragmentation pattern of nucleosides is different from that of nucleotides in the DART ion source. In the cases of nucleosides (under positive-ion conditions), the production of 1 is not observed, indicating that the phosphate group plays an important role for the multiple eliminations observed in the spectra of nucleotides. The in-source reactions described in the present work show the complexity of the conditions in the DART ion source, and we hope that our results illustrate a better understanding about DART mass spectrometry.},\n\tnumber = {8},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Curtis, M. E. and Minier, M. A. and Chitranshi, P. and Sparkman, O. D. and Jones, P. R. and Xue, L.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1371--1381},\n}\n\n\n\n
\n
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\n Direct analysis in real time (DART) mass spectrometry is a recently developed innovative technology, which has shown broad applications for fast and convenient analysis of complex samples. Due to the ease of sample preparation, we have recently initiated an investigation of the feasibility of detecting nucleotides and nucleosides using the DART-AccuTOF instrument, which we will refer to as the DART mass spectrometer. Our experimental results reveal that the ions representing the intact molecules of nucleotides are not detectable in either positive-ion or negative-ion mode. Instead, all four natural nucleotides fragment in the DART ion source, and a common fragment ion, [C5H5O]+ (1), is observed, which is probably formed via multiple- elimination reactions. Interestingly, 1 can form adducts with nucleobases in different molar ratios in the DART ion source. In contrast to nucleotides, the ions representing the intact molecules of nucleosides are detected in both positive-ion and negative-ion mode using DART mass spectrometry. Surprisingly, the fragmentation pattern of nucleosides is different from that of nucleotides in the DART ion source. In the cases of nucleosides (under positive-ion conditions), the production of 1 is not observed, indicating that the phosphate group plays an important role for the multiple eliminations observed in the spectra of nucleotides. The in-source reactions described in the present work show the complexity of the conditions in the DART ion source, and we hope that our results illustrate a better understanding about DART mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry: a fast screening of solid pharmaceuticals for the presence of an active ingredient, as an alternative for IR spectroscopy.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Bochkov, P. O.; Ovcharov, M. V.; Zhokhov, S. S.; and Abramovich, R. A.\n\n\n \n\n\n\n Drug Testing and Analysis, 2(6): 292–294. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_dart_2010,\n\ttitle = {{DART} mass spectrometry: a fast screening of solid pharmaceuticals for the presence of an active ingredient, as an alternative for {IR} spectroscopy},\n\tvolume = {2},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.136},\n\tdoi = {10.1002/dta.136},\n\tabstract = {The application of DART as a choice analytical tool for rapid analysis of counterfeit pharmaceuticals is discussed. DART technology shows considerable promise for rapid, ‘investigator friendly’ studies of ingredients contained within pharmaceuticals. Its user friendly approach renders it as an attractive, rapid, labour saving tool in comparison to its traditional IR counterpart.},\n\tnumber = {6},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Chernetsova, Elena S. and Bochkov, Pavel O. and Ovcharov, Maxim V. and Zhokhov, Sergey S. and Abramovich, Rimma A.},\n\tyear = {2010},\n\tpages = {292--294},\n}\n\n\n\n
\n
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\n The application of DART as a choice analytical tool for rapid analysis of counterfeit pharmaceuticals is discussed. DART technology shows considerable promise for rapid, ‘investigator friendly’ studies of ingredients contained within pharmaceuticals. Its user friendly approach renders it as an attractive, rapid, labour saving tool in comparison to its traditional IR counterpart.\n
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\n \n\n \n \n \n \n \n An ultra superfast identification of low-molecular components of pharmaceuticals by DART mass spectrometry.\n \n \n \n\n\n \n Chernetsova, E.; Bochkov, P.; Ovcharov, M.; Zatonskii, G.; and Abramovich, R.\n\n\n \n\n\n\n Journal of Analytical Chemistry, 65(14): 1537–1539. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_ultra_2010,\n\ttitle = {An ultra superfast identification of low-molecular components of pharmaceuticals by {DART} mass spectrometry},\n\tvolume = {65},\n\tnumber = {14},\n\tjournal = {Journal of Analytical Chemistry},\n\tauthor = {Chernetsova, E.S. and Bochkov, P.O. and Ovcharov, M.V. and Zatonskii, G.V. and Abramovich, R.A.},\n\tyear = {2010},\n\tkeywords = {DART; AccuTOF},\n\tpages = {1537--1539},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Analysis of multiple mycotoxins in beer employing (ultra)-high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Zachariasova, M.; Cajka, T.; Godula, M.; Malachova, A.; Veprikova, Z.; and Hajslova, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(22): 3357–3367. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zachariasova_analysis_2010,\n\ttitle = {Analysis of multiple mycotoxins in beer employing (ultra)-high-resolution mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4746},\n\tdoi = {10.1002/rcm.4746},\n\tabstract = {The objective of the presented study was to develop and optimize a simple, high-throughput method for the control of 32 mycotoxins (Fusarium and Alternaria toxins, aflatoxins, ergot alkaloids, ochratoxins, and sterigmatocystin) in beer. Due to the broad range of their physicochemical properties, the sample preparation step was simplified as much as possible to avoid analyte losses. The addition of acetonitrile to beer samples enabled precipitation of abundant matrix components. The clean-up efficiency was controlled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source. For determination of analytes, ultra-high-performance liquid chromatography hyphenated with high-resolution mass spectrometry utilizing an orbitrap (U-HPLC–orbitrapMS) or time-of-flight (TOFMS) technology was used. Because of significantly better detection capabilities of the orbitrap technology, the U-HPLC–orbitrapMS method was chosen as a determinative step and fully validated. To compensate matrix effects, matrix-matched calibration was employed. The lowest calibration levels for most of the target mycotoxins ranged from 1 to 8 µg L−1 beer and the recoveries of analytes were in range from 86 to 124\\%. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {22},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Zachariasova, Milena and Cajka, Tomas and Godula, Michal and Malachova, Alexandra and Veprikova, Zdenka and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Orbitrap},\n\tpages = {3357--3367},\n}\n\n\n\n
\n
\n\n\n
\n The objective of the presented study was to develop and optimize a simple, high-throughput method for the control of 32 mycotoxins (Fusarium and Alternaria toxins, aflatoxins, ergot alkaloids, ochratoxins, and sterigmatocystin) in beer. Due to the broad range of their physicochemical properties, the sample preparation step was simplified as much as possible to avoid analyte losses. The addition of acetonitrile to beer samples enabled precipitation of abundant matrix components. The clean-up efficiency was controlled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source. For determination of analytes, ultra-high-performance liquid chromatography hyphenated with high-resolution mass spectrometry utilizing an orbitrap (U-HPLC–orbitrapMS) or time-of-flight (TOFMS) technology was used. Because of significantly better detection capabilities of the orbitrap technology, the U-HPLC–orbitrapMS method was chosen as a determinative step and fully validated. To compensate matrix effects, matrix-matched calibration was employed. The lowest calibration levels for most of the target mycotoxins ranged from 1 to 8 µg L−1 beer and the recoveries of analytes were in range from 86 to 124%. Copyright © 2010 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Release kinetics of actives from chewing gums into saliva monitored by direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Jeckelmann, N.; and Haefliger, O. P.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(8): 1165–1171. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ReleasePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{jeckelmann_release_2010,\n\ttitle = {Release kinetics of actives from chewing gums into saliva monitored by direct analysis in real time mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4500},\n\tdoi = {10.1002/rcm.4500},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) was used to monitor the release kinetics of a taste-refreshing compound from chewing gums into the saliva of subjects. A new DART-MS sample probe was designed which was about four times more sensitive than the current benchmark probe. This decreased the impact of the dilution of the saliva samples that was required to minimize ion suppression effects and make quantitative analyses without an internal standard possible. The new probe was also about three times more reproducible, which allowed quantitative measurements to be conducted manually without requiring the enhanced precision provided by an automatic sample positioner. The accuracy of analyses performed by DART-MS was verified by comparing the results obtained from saliva samples analyzed both by DART-MS and by a more classical liquid chromatography/mass spectrometry (LC/MS) method. This investigation showed good agreement between the two techniques. DART-MS could then be used to objectively demonstrate the efficiency of a granular carbohydrate-based delivery system to boost for a few minutes the release of a lipophilic flavor raw material with a high octanol/water partition coefficient, cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl) (WS-3), from chewing gum into saliva. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {8},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Jeckelmann, Nicolas and Haefliger, Olivier P.},\n\tyear = {2010},\n\tkeywords = {Applied Biosystems QTrap},\n\tpages = {1165--1171},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) was used to monitor the release kinetics of a taste-refreshing compound from chewing gums into the saliva of subjects. A new DART-MS sample probe was designed which was about four times more sensitive than the current benchmark probe. This decreased the impact of the dilution of the saliva samples that was required to minimize ion suppression effects and make quantitative analyses without an internal standard possible. The new probe was also about three times more reproducible, which allowed quantitative measurements to be conducted manually without requiring the enhanced precision provided by an automatic sample positioner. The accuracy of analyses performed by DART-MS was verified by comparing the results obtained from saliva samples analyzed both by DART-MS and by a more classical liquid chromatography/mass spectrometry (LC/MS) method. This investigation showed good agreement between the two techniques. DART-MS could then be used to objectively demonstrate the efficiency of a granular carbohydrate-based delivery system to boost for a few minutes the release of a lipophilic flavor raw material with a high octanol/water partition coefficient, cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl) (WS-3), from chewing gum into saliva. Copyright © 2010 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Optimization of a direct analysis in real time/time-of-flight mass spectrometry method for rapid serum metabolomic fingerprinting.\n \n \n \n \n\n\n \n Zhou, M.; McDonald, J. F.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(1): 68–75. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhou_optimization_2010,\n\ttitle = {Optimization of a direct analysis in real time/time-of-flight mass spectrometry method for rapid serum metabolomic fingerprinting},\n\tvolume = {21},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://www.springerlink.com/index/10.1016/j.jasms.2009.09.004},\n\tdoi = {10.1016/j.jasms.2009.09.004},\n\tabstract = {Metabolomic fingerprinting of bodily fluids can reveal the underlying causes of metabolic disorders associated with many diseases, and has thus been recognized as a potential tool for disease diagnosis and prognosis following therapy. Here we report a rapid approach in which direct analysis in real time (DART) coupled with time-of-flight (TOF) mass spectrometry (MS) and hybrid quadrupole TOF (Q-TOF) MS is used as a means for metabolomic fingerprinting of human serum. In this approach, serum samples are first treated to precipitate proteins, and the volatility of the remaining metabolites increased by derivatization, followed by DART MS analysis. Maximum DART MS performance was obtained by optimizing instrumental parameters such as ionizing gas temperature and flow rate for the analysis of identical aliquots of a healthy human serum samples. These variables were observed to have a significant effect on the overall mass range of the metabolites detected as well as the signal-to-noise ratios in DART mass spectra. Each DART run requires only 1.2 min, during which more than 1500 different spectral features are observed in a time-dependent fashion. A repeatability of 4.1\\% to 4.5\\% was obtained for the total ion signal using a manual sampling arm. With the appealing features of high-throughput, lack of memory effects, and simplicity, DART MS has shown potential to become an invaluable tool for metabolomic fingerprinting.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Zhou, Manshui and McDonald, John F. and Fernández, Facundo M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {68--75},\n}\n\n\n\n
\n
\n\n\n
\n Metabolomic fingerprinting of bodily fluids can reveal the underlying causes of metabolic disorders associated with many diseases, and has thus been recognized as a potential tool for disease diagnosis and prognosis following therapy. Here we report a rapid approach in which direct analysis in real time (DART) coupled with time-of-flight (TOF) mass spectrometry (MS) and hybrid quadrupole TOF (Q-TOF) MS is used as a means for metabolomic fingerprinting of human serum. In this approach, serum samples are first treated to precipitate proteins, and the volatility of the remaining metabolites increased by derivatization, followed by DART MS analysis. Maximum DART MS performance was obtained by optimizing instrumental parameters such as ionizing gas temperature and flow rate for the analysis of identical aliquots of a healthy human serum samples. These variables were observed to have a significant effect on the overall mass range of the metabolites detected as well as the signal-to-noise ratios in DART mass spectra. Each DART run requires only 1.2 min, during which more than 1500 different spectral features are observed in a time-dependent fashion. A repeatability of 4.1% to 4.5% was obtained for the total ion signal using a manual sampling arm. With the appealing features of high-throughput, lack of memory effects, and simplicity, DART MS has shown potential to become an invaluable tool for metabolomic fingerprinting.\n
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\n \n\n \n \n \n \n \n \n Rapid Mass Spectrometric Metabolic Profiling of Blood Sera Detects Ovarian Cancer with High Accuracy.\n \n \n \n \n\n\n \n Zhou, M.; Guan, W.; Walker, L. D.; Mezencev, R.; Benigno, B. B.; Gray, A.; Fernandez, F. M.; and McDonald, J. F.\n\n\n \n\n\n\n Cancer Epidemiology, Biomarkers & Prevention. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhou_rapid_2010,\n\ttitle = {Rapid {Mass} {Spectrometric} {Metabolic} {Profiling} of {Blood} {Sera} {Detects} {Ovarian} {Cancer} with {High} {Accuracy}},\n\turl = {http://cebp.aacrjournals.org/content/early/2010/08/05/1055-9965.EPI-10-0126.abstract},\n\tdoi = {10.1158/1055-9965.EPI-10-0126},\n\tabstract = {Background: Ovarian cancer diagnosis is problematic because the disease is typically asymptomatic, especially at the early stages of progression and/or recurrence. We report here the integration of a new mass spectrometric technology with a novel support vector machine computational method for use in cancer diagnostics, and describe the application of the method to ovarian cancer.\n\nMethods: We coupled a high-throughput ambient ionization technique for mass spectrometry (direct analysis in real-time mass spectrometry) to profile relative metabolite levels in sera from 44 women diagnosed with serous papillary ovarian cancer (stages I-IV) and 50 healthy women or women with benign conditions. The profiles were input to a customized functional support vector machine–based machine-learning algorithm for diagnostic classification. Performance was evaluated through a 64-30 split validation test and with a stringent series of leave-one-out cross-validations.\n\nResults: The assay distinguished between the cancer and control groups with an unprecedented 99\\% to 100\\% accuracy (100\\% sensitivity and 100\\% specificity by the 64-30 split validation test; 100\\% sensitivity and 98\\% specificity by leave-one-out cross-validations).\n\nConclusion: The method has significant clinical potential as a cancer diagnostic tool. Because of the extremely low prevalence of ovarian cancer in the general population (∼0.04\\%), extensive prospective testing will be required to evaluate the test's potential utility in general screening applications. However, more immediate applications might be as a diagnostic tool in higher-risk groups or to monitor cancer recurrence after therapeutic treatment.\n\nImpact: The ability to accurately and inexpensively diagnose ovarian cancer will have a significant positive effect on ovarian cancer treatment and outcome.},\n\tjournal = {Cancer Epidemiology, Biomarkers \\& Prevention},\n\tauthor = {Zhou, M. and Guan, W. and Walker, L. D. and Mezencev, R. and Benigno, B. B. and Gray, A. and Fernandez, F. M. and McDonald, J. F.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
\n
\n\n\n
\n Background: Ovarian cancer diagnosis is problematic because the disease is typically asymptomatic, especially at the early stages of progression and/or recurrence. We report here the integration of a new mass spectrometric technology with a novel support vector machine computational method for use in cancer diagnostics, and describe the application of the method to ovarian cancer. Methods: We coupled a high-throughput ambient ionization technique for mass spectrometry (direct analysis in real-time mass spectrometry) to profile relative metabolite levels in sera from 44 women diagnosed with serous papillary ovarian cancer (stages I-IV) and 50 healthy women or women with benign conditions. The profiles were input to a customized functional support vector machine–based machine-learning algorithm for diagnostic classification. Performance was evaluated through a 64-30 split validation test and with a stringent series of leave-one-out cross-validations. Results: The assay distinguished between the cancer and control groups with an unprecedented 99% to 100% accuracy (100% sensitivity and 100% specificity by the 64-30 split validation test; 100% sensitivity and 98% specificity by leave-one-out cross-validations). Conclusion: The method has significant clinical potential as a cancer diagnostic tool. Because of the extremely low prevalence of ovarian cancer in the general population (∼0.04%), extensive prospective testing will be required to evaluate the test's potential utility in general screening applications. However, more immediate applications might be as a diagnostic tool in higher-risk groups or to monitor cancer recurrence after therapeutic treatment. Impact: The ability to accurately and inexpensively diagnose ovarian cancer will have a significant positive effect on ovarian cancer treatment and outcome.\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry: advances and applications in forensics.\n \n \n \n \n\n\n \n Green, F. M.; Salter, T. L.; Stokes, P.; Gilmore, I. S.; and O'Connor, G.\n\n\n \n\n\n\n Surface and Interface Analysis, 42(5): 347–357. May 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{green_ambient_2010,\n\ttitle = {Ambient mass spectrometry: advances and applications in forensics},\n\tvolume = {42},\n\tissn = {01422421, 10969918},\n\tshorttitle = {Ambient mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/sia.3131},\n\tdoi = {10.1002/sia.3131},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-01-29},\n\tjournal = {Surface and Interface Analysis},\n\tauthor = {Green, F. M. and Salter, T. L. and Stokes, P. and Gilmore, I. S. and O'Connor, G.},\n\tmonth = may,\n\tyear = {2010},\n\tpages = {347--357},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n Thermal separation to facilitate Direct Analysis in Real Time (DART) of mixtures.\n \n \n \n\n\n \n Nilles, J.; Connell, T.; and Durst, H.\n\n\n \n\n\n\n Analyst, 135(5): 883–886. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nilles_thermal_2010,\n\ttitle = {Thermal separation to facilitate {Direct} {Analysis} in {Real} {Time} ({DART}) of mixtures},\n\tvolume = {135},\n\tdoi = {10.1039/c0an00036a},\n\tabstract = {We explore a thermal separation technique for use with Direct Analysis in Real Time (DART). By applying gas temperature ramping, we are able to disburse a mixture of compounds in time. The three components were selected to create a challenging mixture that would not likely be discerned solely using exact mass capabilities. While the thermal separation technique is of low resolution, it preserves the inherent rapid, non-contact, ambient characteristics of the ion source.},\n\tnumber = {5},\n\tjournal = {Analyst},\n\tauthor = {Nilles, J.M. and Connell, T.R. and Durst, H.D.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {883--886},\n}\n\n\n\n
\n
\n\n\n
\n We explore a thermal separation technique for use with Direct Analysis in Real Time (DART). By applying gas temperature ramping, we are able to disburse a mixture of compounds in time. The three components were selected to create a challenging mixture that would not likely be discerned solely using exact mass capabilities. While the thermal separation technique is of low resolution, it preserves the inherent rapid, non-contact, ambient characteristics of the ion source.\n
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\n \n\n \n \n \n \n \n \n Rapid determination of melamine and cyanuric acid in milk powder using direct analysis in real time-time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Vaclavik, L.; Rosmus, J.; Popping, B.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1217(25): 4204–4211. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_rapid_2010,\n\ttitle = {Rapid determination of melamine and cyanuric acid in milk powder using direct analysis in real time-time-of-flight mass spectrometry},\n\tvolume = {1217},\n\turl = {http://dx.doi.org/10.1016/j.chroma.2010.03.014},\n\tabstract = {The use of fast semi-automated method employing direct analysis in real time (DART) ion source coupled to time-of-flight mass spectrometry (TOFMS) for analysis of melamine (MEL) and cyanuric acid (CYA) in milk powder and milk based products has been demonstrated in this study. Simple sample extraction procedure employing methanol–5\\% aqueous formic acid mixture, which enabled disruption of melamine–cyanurate complex, was followed by direct, high-throughput (30 s per run) examination of sample extracts spread on a glass rod by mass spectrometry under ambient conditions, without any prior chromatographic separation. After optimization of instrument parameter settings, limits of detection (LODs) 170 and 450 μg kg−1 were achieved for MEL and CYA, respectively. In the final phase of study, the possibility of minimizing spectral interference, thus improving method performance characteristics through the use of ultrahigh resolving power offered by Orbitrap based mass analyzer is demonstrated.},\n\tnumber = {25},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Vaclavik, Lukas and Rosmus, Jan and Popping, Bert and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Melamine; Cyanuric acid; Milk powder; Direct analysis in real time (DART); Time-of-flight mass spectrometry; AccuTOF; Orbitrap mass spectrometry},\n\tpages = {4204--4211},\n}\n\n\n\n
\n
\n\n\n
\n The use of fast semi-automated method employing direct analysis in real time (DART) ion source coupled to time-of-flight mass spectrometry (TOFMS) for analysis of melamine (MEL) and cyanuric acid (CYA) in milk powder and milk based products has been demonstrated in this study. Simple sample extraction procedure employing methanol–5% aqueous formic acid mixture, which enabled disruption of melamine–cyanurate complex, was followed by direct, high-throughput (30 s per run) examination of sample extracts spread on a glass rod by mass spectrometry under ambient conditions, without any prior chromatographic separation. After optimization of instrument parameter settings, limits of detection (LODs) 170 and 450 μg kg−1 were achieved for MEL and CYA, respectively. In the final phase of study, the possibility of minimizing spectral interference, thus improving method performance characteristics through the use of ultrahigh resolving power offered by Orbitrap based mass analyzer is demonstrated.\n
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\n \n\n \n \n \n \n \n Routine analysis and characterization of highly insoluble polycyclic aromatic compounds by direct analysis in real time mass spectrometry (DART).\n \n \n \n\n\n \n Domin, M.; Steinberg, B.; Quimby, J.; Smith, N.; Greene, A.; and Scott, L.\n\n\n \n\n\n\n Analyst, 135(4): 700–704. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{domin_routine_2010,\n\ttitle = {Routine analysis and characterization of highly insoluble polycyclic aromatic compounds by direct analysis in real time mass spectrometry ({DART})},\n\tvolume = {135},\n\tdoi = {10.1039/b923300h},\n\tabstract = {Direct Analysis in Real Time (DART), is used for the first time for the routine rapid analysis of highly insoluble polycyclic aromatic compounds. Direct analysis of such compounds as solid samples under solvent-free conditions shows that DART is a powerful analytical platform capable of providing high-throughput analysis for these complex samples, requiring no special sample pre-treatment or instrument setup.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Domin, M.A. and Steinberg, B.D. and Quimby, J.M. and Smith, N.J. and Greene, A.K. and Scott, L.T.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {700--704},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART), is used for the first time for the routine rapid analysis of highly insoluble polycyclic aromatic compounds. Direct analysis of such compounds as solid samples under solvent-free conditions shows that DART is a powerful analytical platform capable of providing high-throughput analysis for these complex samples, requiring no special sample pre-treatment or instrument setup.\n
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\n \n\n \n \n \n \n \n A Rapid Technique for the Confirmation of Iodine and Red Phosphorus Using Direct Analysis in Real Time and Accurate Mass Spectrometry.\n \n \n \n\n\n \n Steiner, R. R\n\n\n \n\n\n\n Microgram J, 7(1): 3–6. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{steiner_rapid_2010,\n\ttitle = {A {Rapid} {Technique} for the {Confirmation} of {Iodine} and {Red} {Phosphorus} {Using} {Direct} {Analysis} in {Real} {Time} and {Accurate} {Mass} {Spectrometry}},\n\tvolume = {7},\n\tabstract = {Iodine and red phosphorus are chemicals commonly seen in clandestine methamphetamine laboratories. Current analytical methods used for the confirmation of these chemicals include FTIR and GC/MS, usually after a derivatization or reaction with other compounds. X-ray diffraction and scanning electron microscope-energy dispersive x-ray analysis are also used to confirm these chemicals, but all of these techniques tend to be time-consuming or produce poisonous products. A novel technique, using the JEOL-IonSense AccuTOF-DART system, has been developed which yields accurate mass spectra usually in less than ten minutes of analysis time, with no sample preparation.},\n\tnumber = {1},\n\tjournal = {Microgram J},\n\tauthor = {Steiner, Robert R},\n\tyear = {2010},\n\tpages = {3--6},\n}\n\n\n\n
\n
\n\n\n
\n Iodine and red phosphorus are chemicals commonly seen in clandestine methamphetamine laboratories. Current analytical methods used for the confirmation of these chemicals include FTIR and GC/MS, usually after a derivatization or reaction with other compounds. X-ray diffraction and scanning electron microscope-energy dispersive x-ray analysis are also used to confirm these chemicals, but all of these techniques tend to be time-consuming or produce poisonous products. A novel technique, using the JEOL-IonSense AccuTOF-DART system, has been developed which yields accurate mass spectra usually in less than ten minutes of analysis time, with no sample preparation.\n
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\n \n\n \n \n \n \n \n Identification of Glycyrrhiza species by direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Fukuda, E.; Baba, M.; Iwasaki, N.; Uesawa, Y.; Arifuku, K.; Kamoe, O.; Tsubono, K.; and Okada, Y.\n\n\n \n\n\n\n Natural product communications, 5(11): 1755–1758. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fukuda_identification_2010,\n\ttitle = {Identification of {Glycyrrhiza} species by direct analysis in real time mass spectrometry.},\n\tvolume = {5},\n\tabstract = {DART (Direct Analysis in Real Time)-MS is a novel mass spectrometric ion source, and allows the analysis of most compounds at ambient pressure and ground potential by producing [M+H]+ molecular ion species. Using this method, we examined the compounds characteristic of several kinds of licorices. For the analysis of Glycyrrhiza inflata Batalin, the peak at m/z 339 originates mainly from [M+H]+ of licochalcone A (LA), a species-specific compound. This peak was hardly detected in G. glabra Linné and G. uralensis Fischer. These results indicate that G. inflata can be differentiated from the other two species by detection of LA peaks using DART-MS analysis.},\n\tnumber = {11},\n\tjournal = {Natural product communications},\n\tauthor = {Fukuda, Eriko and Baba, Masaki and Iwasaki, Noriaki and Uesawa, Yoshihiro and Arifuku, Kazunori and Kamoe, Osamu and Tsubono, Koji and Okada, Yoshihito},\n\tyear = {2010},\n\tpages = {1755--1758},\n}\n\n\n\n
\n
\n\n\n
\n DART (Direct Analysis in Real Time)-MS is a novel mass spectrometric ion source, and allows the analysis of most compounds at ambient pressure and ground potential by producing [M+H]+ molecular ion species. Using this method, we examined the compounds characteristic of several kinds of licorices. For the analysis of Glycyrrhiza inflata Batalin, the peak at m/z 339 originates mainly from [M+H]+ of licochalcone A (LA), a species-specific compound. This peak was hardly detected in G. glabra Linné and G. uralensis Fischer. These results indicate that G. inflata can be differentiated from the other two species by detection of LA peaks using DART-MS analysis.\n
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\n \n\n \n \n \n \n \n \n Identification of marker compounds in herbal drugs on TLC with DART-MS.\n \n \n \n \n\n\n \n Kim, H. J.; Jee, E. H.; Ahn, K. S.; Choi, H. S.; and Jang, Y. P.\n\n\n \n\n\n\n Archives of Pharmacal Research, 33(9): 1355–1359. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_identification_2010,\n\ttitle = {Identification of marker compounds in herbal drugs on {TLC} with {DART}-{MS}},\n\tvolume = {33},\n\tissn = {0253-6269, 1976-3786},\n\turl = {http://www.springerlink.com/index/10.1007/s12272-010-0909-7},\n\tdoi = {10.1007/s12272-010-0909-7},\n\tabstract = {This study was conducted to provide a more versatile and specific information on Thin Layer Chromatographic (TLC) analysis of medicinal plants. TLC plates developed with the extract of herbal medicines were analyzed with direct analysis in real time (DART) ion source. Three well known herbal drugs were extracted and developed on a silica-coated TLC plate with the conditions pre-established in Korean Pharmacopoeia IX. The developed plate was placed between the DART ion source and TOF-MS analyzer to get real time mass spectra from the bands on the TLC plate directly. The marker coumarin compounds, decursin and decursinol were successfully identified from the TLC plate developed with Angelicae gigantis radix, along with alkaloid compounds of rutaecarpine and evodiamine from Evodiae fructus, and lignan molecules of gomisin A, N, and schisandrin from Schisandrae fructus. This hyphenation system of TLC and DART-MS could provide unique and specific information on the major constituents of crude plant drug on TLC through uncovering high resolution mass number of each band on the TLC plate directly in real time.},\n\tnumber = {9},\n\turldate = {2012-04-18},\n\tjournal = {Archives of Pharmacal Research},\n\tauthor = {Kim, Hye Jin and Jee, Eun Hye and Ahn, Kwang Sung and Choi, Hyo Sook and Jang, Young Pyo},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1355--1359},\n}\n\n\n\n
\n
\n\n\n
\n This study was conducted to provide a more versatile and specific information on Thin Layer Chromatographic (TLC) analysis of medicinal plants. TLC plates developed with the extract of herbal medicines were analyzed with direct analysis in real time (DART) ion source. Three well known herbal drugs were extracted and developed on a silica-coated TLC plate with the conditions pre-established in Korean Pharmacopoeia IX. The developed plate was placed between the DART ion source and TOF-MS analyzer to get real time mass spectra from the bands on the TLC plate directly. The marker coumarin compounds, decursin and decursinol were successfully identified from the TLC plate developed with Angelicae gigantis radix, along with alkaloid compounds of rutaecarpine and evodiamine from Evodiae fructus, and lignan molecules of gomisin A, N, and schisandrin from Schisandrae fructus. This hyphenation system of TLC and DART-MS could provide unique and specific information on the major constituents of crude plant drug on TLC through uncovering high resolution mass number of each band on the TLC plate directly in real time.\n
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\n \n\n \n \n \n \n \n \n Explosives Detection Using Direct Analysis in Real Time (DART) Mass Spectrometry.\n \n \n \n \n\n\n \n Nilles, J. M.; Connell, T. R.; Stokes, S. T.; and Dupont Durst, H.\n\n\n \n\n\n\n Propellants, Explosives, Pyrotechnics, 35(5): 446–451. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ExplosivesPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nilles_explosives_2010,\n\ttitle = {Explosives {Detection} {Using} {Direct} {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry}},\n\tvolume = {35},\n\tissn = {07213115},\n\turl = {http://doi.wiley.com/10.1002/prep.200900084},\n\tdoi = {10.1002/prep.200900084},\n\tabstract = {The growing use of explosives by terrorists and criminals creates a need for instrumentation which can rapidly analyze these energetic compounds, preferably on site. Direct analysis in real time (DART) is a promising technology for surface analysis with little or no sample preparation. Therefore, DART ionization is evaluated for use in detecting explosives on solid substrates and in liquid matrices. Fifteen explosives were chosen as a consequence of their common usage. Five surfaces were chosen to represent a wide range of physical properties such as composition, porosity, surface morphology, and thermal and electrical conductivity. Additionally these surfaces are commonly found in everyday surroundings. All 75 compound-surface combinations produced a clear, easily identifiable, mass spectra characteristic of the targeted analyte. Simultaneous detection of five explosives is demonstrated on these same surfaces. Lastly, rapid detection of trace contamination in common fluids is also explored.},\n\tnumber = {5},\n\turldate = {2012-04-18},\n\tjournal = {Propellants, Explosives, Pyrotechnics},\n\tauthor = {Nilles, J. Michael and Connell, Theresa R. and Stokes, Sarah T. and Dupont Durst, H.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {446--451},\n}\n\n\n\n
\n
\n\n\n
\n The growing use of explosives by terrorists and criminals creates a need for instrumentation which can rapidly analyze these energetic compounds, preferably on site. Direct analysis in real time (DART) is a promising technology for surface analysis with little or no sample preparation. Therefore, DART ionization is evaluated for use in detecting explosives on solid substrates and in liquid matrices. Fifteen explosives were chosen as a consequence of their common usage. Five surfaces were chosen to represent a wide range of physical properties such as composition, porosity, surface morphology, and thermal and electrical conductivity. Additionally these surfaces are commonly found in everyday surroundings. All 75 compound-surface combinations produced a clear, easily identifiable, mass spectra characteristic of the targeted analyte. Simultaneous detection of five explosives is demonstrated on these same surfaces. Lastly, rapid detection of trace contamination in common fluids is also explored.\n
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\n \n\n \n \n \n \n \n \n Bambusae Caulis in Taeniam extract reduces ovalbumin-induced airway inflammation and T helper 2 responses in mice.\n \n \n \n \n\n\n \n Ra, J.; Lee, S.; Kim, H.; Jang, Y.; Ahn, H.; and Kim, J.\n\n\n \n\n\n\n Journal of Ethnopharmacology, 128(1): 241–247. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"BambusaePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{ra_bambusae_2010,\n\ttitle = {Bambusae {Caulis} in {Taeniam} extract reduces ovalbumin-induced airway inflammation and {T} helper 2 responses in mice},\n\tvolume = {128},\n\turl = {http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6T8D-4Y5BMD1-B&_user=10&_coverDate=03%2F02%2F2010&_rdoc=1&_fmt=high&_orig=search&_sort=d&_docanchor=&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=4d40845f392128c88900870785447421},\n\tdoi = {10.1016/j.jep.2010.01.023},\n\tabstract = {Ethnopharmacological relevance Bambusae Caulis in Taeniam (BC) was known as traditional herbal medicine with anti-inflammatory property in the Orient. Aim of the study Allergic asthma is inflammatory disease of airways associated with enhanced T helper (Th) 2 lymphocytes responses to allergens, leading to eosinophilic infiltration and elevated serum IgE levels. Although there were some studies that BC extract had an anti-inflammatory property, there was no study on asthma. In present study, we investigated the suitability of BC extract as a therapeutic candidate in the treatment of allergic airway disease in ovalbumin-induced asthma model. Materials and methods Balb/C mice (female, 6 weeks old) were treated by ovalbumin sensitization and nebulization, and used as asthma model. The number of eosinophil in bronchoalveolar lavage (BAL) fluid and the degree of eosinophila were investigated by hematoxylin and eosin stain and the infiltration of inflammatory cells into lung tissues was examined by staining by hematoxylin and eosin solution. The levels of interleukin (IL)-4 in BAL fluid, immunoglobulin E (IgE) in serum, interferon (IFN)-γ and IL-4 production in splenocyte culture from Balb/C mice (not treated, 6 weeks old) that incubated with or without BC extract for 48 h were determined by enzyme-linked immunosorbent assay. Results The level of eosinophils was decreased by treatment of the animals with BC extract (40 mg/kg) and correspondingly, a significantly lowered degree of eosinophila was also reported (p {\\textless} 0.01). In lung tissue, BC extract reduced the increased immune cell infiltration induced by OVA (p {\\textless} 0.05). Furthermore, the levels of IL-4 and IgE in BAL fluid or serum up-regulated by OVA was decreased by BC extract. Finally, IFN-γ production was significantly increased (p {\\textless} 0.01), while IL-4 production significantly decreased (p {\\textless} 0.01), after treatment of the culture supernatants of splenocytes with BC extract. Conclusions These results indicated that BC extract reduces OVA-induced airway inflammation and Th 2 response in mice, suggesting that BC extract can be a therapeutic candidate for allergic airway disease, including asthma.},\n\tnumber = {1},\n\tjournal = {Journal of Ethnopharmacology},\n\tauthor = {Ra, J. and Lee, S. and Kim, H.J. and Jang, Y.P. and Ahn, H. and Kim, J.},\n\tyear = {2010},\n\tkeywords = {Airway inflammation; Bambusae Caulis in Taeniam; Herbal medicine; AccuTOF},\n\tpages = {241--247},\n}\n\n\n\n
\n
\n\n\n
\n Ethnopharmacological relevance Bambusae Caulis in Taeniam (BC) was known as traditional herbal medicine with anti-inflammatory property in the Orient. Aim of the study Allergic asthma is inflammatory disease of airways associated with enhanced T helper (Th) 2 lymphocytes responses to allergens, leading to eosinophilic infiltration and elevated serum IgE levels. Although there were some studies that BC extract had an anti-inflammatory property, there was no study on asthma. In present study, we investigated the suitability of BC extract as a therapeutic candidate in the treatment of allergic airway disease in ovalbumin-induced asthma model. Materials and methods Balb/C mice (female, 6 weeks old) were treated by ovalbumin sensitization and nebulization, and used as asthma model. The number of eosinophil in bronchoalveolar lavage (BAL) fluid and the degree of eosinophila were investigated by hematoxylin and eosin stain and the infiltration of inflammatory cells into lung tissues was examined by staining by hematoxylin and eosin solution. The levels of interleukin (IL)-4 in BAL fluid, immunoglobulin E (IgE) in serum, interferon (IFN)-γ and IL-4 production in splenocyte culture from Balb/C mice (not treated, 6 weeks old) that incubated with or without BC extract for 48 h were determined by enzyme-linked immunosorbent assay. Results The level of eosinophils was decreased by treatment of the animals with BC extract (40 mg/kg) and correspondingly, a significantly lowered degree of eosinophila was also reported (p \\textless 0.01). In lung tissue, BC extract reduced the increased immune cell infiltration induced by OVA (p \\textless 0.05). Furthermore, the levels of IL-4 and IgE in BAL fluid or serum up-regulated by OVA was decreased by BC extract. Finally, IFN-γ production was significantly increased (p \\textless 0.01), while IL-4 production significantly decreased (p \\textless 0.01), after treatment of the culture supernatants of splenocytes with BC extract. Conclusions These results indicated that BC extract reduces OVA-induced airway inflammation and Th 2 response in mice, suggesting that BC extract can be a therapeutic candidate for allergic airway disease, including asthma.\n
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\n \n\n \n \n \n \n \n Comparison of the Internal Energy Deposition of Direct Analysis in Real Time and Electrospray Ionization Time-of-Flight Mass Spectrometry.\n \n \n \n\n\n \n Harris, G. A.; Hostetler, D. M.; Hampton, C.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(5): 855–863. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{harris_comparison_2010,\n\ttitle = {Comparison of the {Internal} {Energy} {Deposition} of {Direct} {Analysis} in {Real} {Time} and {Electrospray} {Ionization} {Time}-of-{Flight} {Mass} {Spectrometry}},\n\tvolume = {21},\n\tdoi = {10.1016/j.jasms.2010.01.019},\n\tabstract = {The internal energy (Eint) distributions of a series of p-substituted benzylpyridinium ions generated by both direct analysis in real time (DART) and electrospray ionization (ESI) were compared using the “survival yield” method. DART mean Eint values at gas flow rates of 2, 4, and 6 L min−1, and at set temperatures of 175, 250, and 325 °C were in the 1.92–2.21 eV range. ESI mean Eint  at identical temperatures in aqueous and 50\\% methanol solutions ranged between 1.71 and 1.96 eV, and 1.53 and 1.63 eV, respectively. Although the results indicated that ESI is a “softer” ionization technique than DART, there was overlap between the two techniques for the particular time-of-flight mass spectrometer used. As a whole, there was an increase in Eint with increasing reactive and drying gas temperatures for DART and ESI, respectively, indicating thermal ion activation. Three dimensional computational fluid dynamic simulations in combination with direct temperature measurements within the DART ionization region revealed complex inversely coupled fluid-thermal phenomena affecting ion Eint values during atmospheric transport. Primarily, that DART gas temperature in the ionization region was appreciably less than the set gas temperature of DART due to the set gas flow rates. There was no evidence of Eint deposition pathways from metastable-stimulated desorption, but fragmentation induced by high-energy helium metastables was observed at the highest gas flow rates and temperatures.},\n\tnumber = {5},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Harris, G. A. and Hostetler, D. M. and Hampton, C.Y. and Fernández, F. M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {855--863},\n}\n\n\n\n
\n
\n\n\n
\n The internal energy (Eint) distributions of a series of p-substituted benzylpyridinium ions generated by both direct analysis in real time (DART) and electrospray ionization (ESI) were compared using the “survival yield” method. DART mean Eint values at gas flow rates of 2, 4, and 6 L min−1, and at set temperatures of 175, 250, and 325 °C were in the 1.92–2.21 eV range. ESI mean Eint at identical temperatures in aqueous and 50% methanol solutions ranged between 1.71 and 1.96 eV, and 1.53 and 1.63 eV, respectively. Although the results indicated that ESI is a “softer” ionization technique than DART, there was overlap between the two techniques for the particular time-of-flight mass spectrometer used. As a whole, there was an increase in Eint with increasing reactive and drying gas temperatures for DART and ESI, respectively, indicating thermal ion activation. Three dimensional computational fluid dynamic simulations in combination with direct temperature measurements within the DART ionization region revealed complex inversely coupled fluid-thermal phenomena affecting ion Eint values during atmospheric transport. Primarily, that DART gas temperature in the ionization region was appreciably less than the set gas temperature of DART due to the set gas flow rates. There was no evidence of Eint deposition pathways from metastable-stimulated desorption, but fragmentation induced by high-energy helium metastables was observed at the highest gas flow rates and temperatures.\n
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\n \n\n \n \n \n \n \n Applications of Direct Analysis in Real Time Mass Spectrometry (DART-MS) in Allium Chemistry. (Z)-Butanethial S-Oxide and 1-Butenyl Thiosulfinates and Their S-(E)-1-Butenylcysteine S-Oxide Precursor from Allium siculum.\n \n \n \n\n\n \n Kubec, R.; Cody, R.; Dane, A.; Musah, R.; Schraml, J.; Vattekkatte, A.; and Block, E.\n\n\n \n\n\n\n Journal of Agricultural and Food Chemistry, 58(2): 1121–1128. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kubec_applications_2010,\n\ttitle = {Applications of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) in {Allium} {Chemistry}. ({Z})-{Butanethial} {S}-{Oxide} and 1-{Butenyl} {Thiosulfinates} and {Their} {S}-({E})-1-{Butenylcysteine} {S}-{Oxide} {Precursor} from {Allium} siculum},\n\tvolume = {58},\n\tissn = {0021-8561},\n\tdoi = {10.1021/jf903733e},\n\tabstract = {Lachrymatory (Z)-butanethial S-oxide along with several 1-butenyl thiosulfinates was detected by DART mass spectrometry upon cutting Allium siculum, a popular ornamental Allium species used in some cultures as a spice. (Z)-Butanethial S-oxide isolated from the plant was shown to be identical to a synthetic sample. Its likely precursor, (RS,RC,E)-S-(1-butenyl)cysteine S-oxide (homoisoalliin), was isolated from homogenates of A. siculum, and a closely related species Allium tripedale, and fully characterized. Through use of LC-MS, a series of related γ-glutamyl derivatives were tentatively identified in A. siculum and A. tripedale homogenates, including γ-glutamyl-(E)-S-(1-butenyl)cysteine and its S-oxide, γ-glutamyl-S-butylcysteine and its S-oxide, and γ-glutamyl-S-methylcysteine and its S-oxide. Because compounds containing the 1-butenyl group have not been previously identified in genus Allium species, this work extends the range of known Allium sulfur compounds. The general applicability of DART mass spectrometry in identifying naturally occurring, thermally fragile thial S-oxides and thiosulfinates is illustrated with onion, Allium cepa, as well as a plant from a different genus, Petiveria alliacea.},\n\tnumber = {2},\n\tjournal = {Journal of Agricultural and Food Chemistry},\n\tauthor = {Kubec, R. and Cody, R.B. and Dane, A.J. and Musah, R.A. and Schraml, J. and Vattekkatte, A. and Block, E.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1121--1128},\n}\n\n\n\n
\n
\n\n\n
\n Lachrymatory (Z)-butanethial S-oxide along with several 1-butenyl thiosulfinates was detected by DART mass spectrometry upon cutting Allium siculum, a popular ornamental Allium species used in some cultures as a spice. (Z)-Butanethial S-oxide isolated from the plant was shown to be identical to a synthetic sample. Its likely precursor, (RS,RC,E)-S-(1-butenyl)cysteine S-oxide (homoisoalliin), was isolated from homogenates of A. siculum, and a closely related species Allium tripedale, and fully characterized. Through use of LC-MS, a series of related γ-glutamyl derivatives were tentatively identified in A. siculum and A. tripedale homogenates, including γ-glutamyl-(E)-S-(1-butenyl)cysteine and its S-oxide, γ-glutamyl-S-butylcysteine and its S-oxide, and γ-glutamyl-S-methylcysteine and its S-oxide. Because compounds containing the 1-butenyl group have not been previously identified in genus Allium species, this work extends the range of known Allium sulfur compounds. The general applicability of DART mass spectrometry in identifying naturally occurring, thermally fragile thial S-oxides and thiosulfinates is illustrated with onion, Allium cepa, as well as a plant from a different genus, Petiveria alliacea.\n
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\n \n\n \n \n \n \n \n \n Ricin Activity Assay by Direct Analysis in Real Time Mass Spectrometry Detection of Adenine Release.\n \n \n \n \n\n\n \n Bevilacqua, V. L. H.; Nilles, J. M.; Rice, J. S.; Connell, T. R.; Schenning, A. M.; Reilly, L. M.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 82(3): 798–800. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RicinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{bevilacqua_ricin_2010,\n\ttitle = {Ricin {Activity} {Assay} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} {Detection} of {Adenine} {Release}},\n\tvolume = {82},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac9025972},\n\tdoi = {10.1021/ac9025972},\n\tabstract = {Biotoxin activity assays typically involve multistep sample preparation, multicomponent reactions, multistep analysis, or a combination thereof. We report a single-step, real-time ricin activity assay that requires little or no sample preparation and employs direct analysis in real time mass spectrometry. The release of adenine from the inhomogeneous substrate herring sperm DNA by ricin was determined to be 53 ± 2 pmol adenine per picomole of ricin per hour. This procedure can be readily adapted to any enzyme for which a reactant or product of low molecular weight (up to ∼600) can be identified.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Bevilacqua, Vicky L. H. and Nilles, J. Michael and Rice, Jeffrey S. and Connell, Theresa R. and Schenning, Amanda M. and Reilly, Lisa M. and Durst, H. Dupont},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {798--800},\n}\n\n\n\n
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\n Biotoxin activity assays typically involve multistep sample preparation, multicomponent reactions, multistep analysis, or a combination thereof. We report a single-step, real-time ricin activity assay that requires little or no sample preparation and employs direct analysis in real time mass spectrometry. The release of adenine from the inhomogeneous substrate herring sperm DNA by ricin was determined to be 53 ± 2 pmol adenine per picomole of ricin per hour. This procedure can be readily adapted to any enzyme for which a reactant or product of low molecular weight (up to ∼600) can be identified.\n
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\n \n\n \n \n \n \n \n Determination of organic UV filters in water by stir bar sorptive extraction and direct analysis in real-time mass spectrometry.\n \n \n \n\n\n \n Haunschmidt, M.; Klampfl, C.; Buchberger, W.; and Hertsens, R.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 397(1): 269–275. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{haunschmidt_determination_2010,\n\ttitle = {Determination of organic {UV} filters in water by stir bar sorptive extraction and direct analysis in real-time mass spectrometry},\n\tvolume = {397},\n\tdoi = {10.1007/s00216-009-3438-9},\n\tabstract = {A screening method for analyzing environmental waters contaminated with UV filters using direct analysis in real-time mass spectrometry (DART-MS) was developed. To demonstrate the suitability of DART-MS a test set of seven organic UV filters, namely benzophenone-3 (BP-3), ethylhexyl dimethyl p-aminobenzoate (OD-PABA), 4-t-butyl-4′-methoxydibenzoylmethane (BM-DBM), homomethyl salicylate (HMS), 2-(ethylhexyl) salicylate (EHS), octocrylene (OC), and 4-methylbenzylidene camphor (4-MBC), was defined. In the first step, standard solutions of the analytes prepared in methanol were investigated in order to determine optimum parameters for the DART-MS. Because of the very low concentrations of UV filters expected in environmental water samples, a pre-concentration step using stir bar sorptive extraction was performed. DART-MS allows the direct, simple and rapid semi-quantitative analysis of the analytes enriched on the surface of the polydimethylsiloxane-coated stir bars. The optimized method provided calibration curves with correlation coefficients R{\\textgreater}0.959, repeatability from 5\\% (for 4-MBC) to 30\\% (for BM-DBM) relative standard deviation and limits of detection lower than 40 ng L−1 for all analytes. Finally, real lake water samples from locations with typical leisure activities were analyzed. Results obtained with the developed DART-MS method were cross-checked by confirmatory analysis using thermodesorption gas chromatography mass spectrometry (TD-GC-MS). Thereby, it could be demonstrated that both analytical methods provide comparable concentrations for the UV filters in the lake water samples.},\n\tnumber = {1},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Haunschmidt, Manuela and Klampfl, Christian and Buchberger, Wolfgang and Hertsens, Robert},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {269--275},\n}\n\n\n\n
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\n A screening method for analyzing environmental waters contaminated with UV filters using direct analysis in real-time mass spectrometry (DART-MS) was developed. To demonstrate the suitability of DART-MS a test set of seven organic UV filters, namely benzophenone-3 (BP-3), ethylhexyl dimethyl p-aminobenzoate (OD-PABA), 4-t-butyl-4′-methoxydibenzoylmethane (BM-DBM), homomethyl salicylate (HMS), 2-(ethylhexyl) salicylate (EHS), octocrylene (OC), and 4-methylbenzylidene camphor (4-MBC), was defined. In the first step, standard solutions of the analytes prepared in methanol were investigated in order to determine optimum parameters for the DART-MS. Because of the very low concentrations of UV filters expected in environmental water samples, a pre-concentration step using stir bar sorptive extraction was performed. DART-MS allows the direct, simple and rapid semi-quantitative analysis of the analytes enriched on the surface of the polydimethylsiloxane-coated stir bars. The optimized method provided calibration curves with correlation coefficients R\\textgreater0.959, repeatability from 5% (for 4-MBC) to 30% (for BM-DBM) relative standard deviation and limits of detection lower than 40 ng L−1 for all analytes. Finally, real lake water samples from locations with typical leisure activities were analyzed. Results obtained with the developed DART-MS method were cross-checked by confirmatory analysis using thermodesorption gas chromatography mass spectrometry (TD-GC-MS). Thereby, it could be demonstrated that both analytical methods provide comparable concentrations for the UV filters in the lake water samples.\n
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\n \n\n \n \n \n \n \n \n Small Molecule Ambient Mass Spectrometry Imaging by Infrared Laser Ablation Metastable-Induced Chemical Ionization.\n \n \n \n \n\n\n \n Galhena, A. S.; Harris, G. A.; Nyadong, L.; Murray, K. K.; and Fernández, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 82(6): 2178–2181. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"SmallPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{galhena_small_2010,\n\ttitle = {Small {Molecule} {Ambient} {Mass} {Spectrometry} {Imaging} by {Infrared} {Laser} {Ablation} {Metastable}-{Induced} {Chemical} {Ionization}},\n\tvolume = {82},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac902905v},\n\tdoi = {10.1021/ac902905v},\n\tabstract = {Presented here is a novel ambient ion source termed infrared laser ablation metastable-induced chemical ionization (IR-LAMICI). IR-LAMICI integrates IR laser ablation and direct analysis in real time (DART)-type metastable-induced chemical ionization for open air mass spectrometry (MS) ionization. The ion generation in the IR-LAMICI source is a two step process. First, IR laser pulses impinge the sample surface ablating surface material. Second, a portion of ablated material reacts with the metastable reactive plume facilitating gas-phase chemical ionization of analyte molecules generating protonated or deprotonated species in positive and negative ion modes, respectively. The successful coupling of IR-laser ablation with metastable-induced chemical ionization resulted in an ambient plasma-based spatially resolved small molecule imaging platform for mass spectrometry (MS). The analytical capabilities of IR-LAMICI are explored by imaging pharmaceutical tablets, screening counterfeit drugs, and probing algal tissue surfaces for natural products. The resolution of a chemical image is determined by the crater size produced with each laser pulse but not by the size of the metastable gas jet. The detection limits for an active pharmaceutical ingredient (acetaminophen) using the IR-LAMICI source is calculated to be low picograms. Furthermore, three-dimensional computational fluid dynamic simulations showed improvements in the IR-LAMICI ion source are possible.},\n\tnumber = {6},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Galhena, Asiri S. and Harris, Glenn A. and Nyadong, Leonard and Murray, Kermit K. and Fernández, Facundo M.},\n\tyear = {2010},\n\tkeywords = {Thermo Ion Trap},\n\tpages = {2178--2181},\n}\n\n\n\n
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\n\n\n
\n Presented here is a novel ambient ion source termed infrared laser ablation metastable-induced chemical ionization (IR-LAMICI). IR-LAMICI integrates IR laser ablation and direct analysis in real time (DART)-type metastable-induced chemical ionization for open air mass spectrometry (MS) ionization. The ion generation in the IR-LAMICI source is a two step process. First, IR laser pulses impinge the sample surface ablating surface material. Second, a portion of ablated material reacts with the metastable reactive plume facilitating gas-phase chemical ionization of analyte molecules generating protonated or deprotonated species in positive and negative ion modes, respectively. The successful coupling of IR-laser ablation with metastable-induced chemical ionization resulted in an ambient plasma-based spatially resolved small molecule imaging platform for mass spectrometry (MS). The analytical capabilities of IR-LAMICI are explored by imaging pharmaceutical tablets, screening counterfeit drugs, and probing algal tissue surfaces for natural products. The resolution of a chemical image is determined by the crater size produced with each laser pulse but not by the size of the metastable gas jet. The detection limits for an active pharmaceutical ingredient (acetaminophen) using the IR-LAMICI source is calculated to be low picograms. Furthermore, three-dimensional computational fluid dynamic simulations showed improvements in the IR-LAMICI ion source are possible.\n
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\n \n\n \n \n \n \n \n Identification of Glycyrrhiza species by direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Fukuda, E.; Baba, M.; Iwasaki, N.; Uesawa, Y.; Arifuku, K.; Kamoe, O.; Tsubono, K.; and Okada, Y.\n\n\n \n\n\n\n Natural product communications, 5(11): 1755–1758. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fukuda_identification_2010,\n\ttitle = {Identification of {Glycyrrhiza} species by direct analysis in real time mass spectrometry.},\n\tvolume = {5},\n\tabstract = {DART (Direct Analysis in Real Time)-MS is a novel mass spectrometric ion source, and allows the analysis of most compounds at ambient pressure and ground potential by producing [M+H]+ molecular ion species. Using this method, we examined the compounds characteristic of several kinds of licorices. For the analysis of Glycyrrhiza inflata Batalin, the peak at m/z 339 originates mainly from [M+H]+ of licochalcone A (LA), a species-specific compound. This peak was hardly detected in G. glabra Linné and G. uralensis Fischer. These results indicate that G. inflata can be differentiated from the other two species by detection of LA peaks using DART-MS analysis.},\n\tnumber = {11},\n\tjournal = {Natural product communications},\n\tauthor = {Fukuda, Eriko and Baba, Masaki and Iwasaki, Noriaki and Uesawa, Yoshihiro and Arifuku, Kazunori and Kamoe, Osamu and Tsubono, Koji and Okada, Yoshihito},\n\tyear = {2010},\n\tpages = {1755--1758},\n}\n\n\n\n
\n
\n\n\n
\n DART (Direct Analysis in Real Time)-MS is a novel mass spectrometric ion source, and allows the analysis of most compounds at ambient pressure and ground potential by producing [M+H]+ molecular ion species. Using this method, we examined the compounds characteristic of several kinds of licorices. For the analysis of Glycyrrhiza inflata Batalin, the peak at m/z 339 originates mainly from [M+H]+ of licochalcone A (LA), a species-specific compound. This peak was hardly detected in G. glabra Linné and G. uralensis Fischer. These results indicate that G. inflata can be differentiated from the other two species by detection of LA peaks using DART-MS analysis.\n
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\n \n\n \n \n \n \n \n \n Rapid Mass Spectrometric Metabolic Profiling of Blood Sera Detects Ovarian Cancer with High Accuracy.\n \n \n \n \n\n\n \n Zhou, M.; Guan, W.; Walker, L. D.; Mezencev, R.; Benigno, B. B.; Gray, A.; Fernandez, F. M.; and McDonald, J. F.\n\n\n \n\n\n\n Cancer Epidemiology, Biomarkers & Prevention. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{zhou_rapid_2010,\n\ttitle = {Rapid {Mass} {Spectrometric} {Metabolic} {Profiling} of {Blood} {Sera} {Detects} {Ovarian} {Cancer} with {High} {Accuracy}},\n\turl = {http://cebp.aacrjournals.org/content/early/2010/08/05/1055-9965.EPI-10-0126.abstract},\n\tdoi = {10.1158/1055-9965.EPI-10-0126},\n\tabstract = {Background: Ovarian cancer diagnosis is problematic because the disease is typically asymptomatic, especially at the early stages of progression and/or recurrence. We report here the integration of a new mass spectrometric technology with a novel support vector machine computational method for use in cancer diagnostics, and describe the application of the method to ovarian cancer.\n\nMethods: We coupled a high-throughput ambient ionization technique for mass spectrometry (direct analysis in real-time mass spectrometry) to profile relative metabolite levels in sera from 44 women diagnosed with serous papillary ovarian cancer (stages I-IV) and 50 healthy women or women with benign conditions. The profiles were input to a customized functional support vector machine–based machine-learning algorithm for diagnostic classification. Performance was evaluated through a 64-30 split validation test and with a stringent series of leave-one-out cross-validations.\n\nResults: The assay distinguished between the cancer and control groups with an unprecedented 99\\% to 100\\% accuracy (100\\% sensitivity and 100\\% specificity by the 64-30 split validation test; 100\\% sensitivity and 98\\% specificity by leave-one-out cross-validations).\n\nConclusion: The method has significant clinical potential as a cancer diagnostic tool. Because of the extremely low prevalence of ovarian cancer in the general population (∼0.04\\%), extensive prospective testing will be required to evaluate the test's potential utility in general screening applications. However, more immediate applications might be as a diagnostic tool in higher-risk groups or to monitor cancer recurrence after therapeutic treatment.\n\nImpact: The ability to accurately and inexpensively diagnose ovarian cancer will have a significant positive effect on ovarian cancer treatment and outcome.},\n\tjournal = {Cancer Epidemiology, Biomarkers \\& Prevention},\n\tauthor = {Zhou, M. and Guan, W. and Walker, L. D. and Mezencev, R. and Benigno, B. B. and Gray, A. and Fernandez, F. M. and McDonald, J. F.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
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\n\n\n
\n Background: Ovarian cancer diagnosis is problematic because the disease is typically asymptomatic, especially at the early stages of progression and/or recurrence. We report here the integration of a new mass spectrometric technology with a novel support vector machine computational method for use in cancer diagnostics, and describe the application of the method to ovarian cancer. Methods: We coupled a high-throughput ambient ionization technique for mass spectrometry (direct analysis in real-time mass spectrometry) to profile relative metabolite levels in sera from 44 women diagnosed with serous papillary ovarian cancer (stages I-IV) and 50 healthy women or women with benign conditions. The profiles were input to a customized functional support vector machine–based machine-learning algorithm for diagnostic classification. Performance was evaluated through a 64-30 split validation test and with a stringent series of leave-one-out cross-validations. Results: The assay distinguished between the cancer and control groups with an unprecedented 99% to 100% accuracy (100% sensitivity and 100% specificity by the 64-30 split validation test; 100% sensitivity and 98% specificity by leave-one-out cross-validations). Conclusion: The method has significant clinical potential as a cancer diagnostic tool. Because of the extremely low prevalence of ovarian cancer in the general population (∼0.04%), extensive prospective testing will be required to evaluate the test's potential utility in general screening applications. However, more immediate applications might be as a diagnostic tool in higher-risk groups or to monitor cancer recurrence after therapeutic treatment. Impact: The ability to accurately and inexpensively diagnose ovarian cancer will have a significant positive effect on ovarian cancer treatment and outcome.\n
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\n \n\n \n \n \n \n \n \n Rapid determination of melamine and cyanuric acid in milk powder using direct analysis in real time-time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Vaclavik, L.; Rosmus, J.; Popping, B.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1217(25): 4204–4211. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{vaclavik_rapid_2010,\n\ttitle = {Rapid determination of melamine and cyanuric acid in milk powder using direct analysis in real time-time-of-flight mass spectrometry},\n\tvolume = {1217},\n\turl = {http://dx.doi.org/10.1016/j.chroma.2010.03.014},\n\tabstract = {The use of fast semi-automated method employing direct analysis in real time (DART) ion source coupled to time-of-flight mass spectrometry (TOFMS) for analysis of melamine (MEL) and cyanuric acid (CYA) in milk powder and milk based products has been demonstrated in this study. Simple sample extraction procedure employing methanol–5\\% aqueous formic acid mixture, which enabled disruption of melamine–cyanurate complex, was followed by direct, high-throughput (30 s per run) examination of sample extracts spread on a glass rod by mass spectrometry under ambient conditions, without any prior chromatographic separation. After optimization of instrument parameter settings, limits of detection (LODs) 170 and 450 μg kg−1 were achieved for MEL and CYA, respectively. In the final phase of study, the possibility of minimizing spectral interference, thus improving method performance characteristics through the use of ultrahigh resolving power offered by Orbitrap based mass analyzer is demonstrated.},\n\tnumber = {25},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Vaclavik, Lukas and Rosmus, Jan and Popping, Bert and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Melamine; Cyanuric acid; Milk powder; Direct analysis in real time (DART); Time-of-flight mass spectrometry; AccuTOF; Orbitrap mass spectrometry},\n\tpages = {4204--4211},\n}\n\n\n\n
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\n The use of fast semi-automated method employing direct analysis in real time (DART) ion source coupled to time-of-flight mass spectrometry (TOFMS) for analysis of melamine (MEL) and cyanuric acid (CYA) in milk powder and milk based products has been demonstrated in this study. Simple sample extraction procedure employing methanol–5% aqueous formic acid mixture, which enabled disruption of melamine–cyanurate complex, was followed by direct, high-throughput (30 s per run) examination of sample extracts spread on a glass rod by mass spectrometry under ambient conditions, without any prior chromatographic separation. After optimization of instrument parameter settings, limits of detection (LODs) 170 and 450 μg kg−1 were achieved for MEL and CYA, respectively. In the final phase of study, the possibility of minimizing spectral interference, thus improving method performance characteristics through the use of ultrahigh resolving power offered by Orbitrap based mass analyzer is demonstrated.\n
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\n \n\n \n \n \n \n \n Analysis of multiple mycotoxins in cereals under ambient conditions using direct analysis in real time (DART) ionization coupled to high resolution mass spectrometry.\n \n \n \n\n\n \n Vaclavik, L.; Zachariasova, M.; Hrbek, V.; and Hajslova, J.\n\n\n \n\n\n\n Talanta, 82(5): 1950–1957. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_analysis_2010,\n\ttitle = {Analysis of multiple mycotoxins in cereals under ambient conditions using direct analysis in real time ({DART}) ionization coupled to high resolution mass spectrometry},\n\tvolume = {82},\n\tabstract = {Direct analysis in real time (DART) ionization coupled to an (ultra)high resolution mass spectrometer based on orbitrap technology (orbitrapMS) was used for rapid quantitative analysis of multiple mycotoxins isolated from wheat and maize by modified QuEChERS procedure. After initial evaluation of ionization efficiencies for major groups of mycotoxins achievable with DART technology, sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of most intensively ionizing toxins (deoxynivalenol, nivalenol, zearalenon, actyldeoxynivalenol, deepoxy-deoxynivalenol, fusarenon-X, altenuene, alternariol, alternariolmethylether, diacetoxyscirpenol,\nsterigmatocystin). The lowest calibration levels (LCLs) estimated for the respective analytes ranged from 50 to 150 [mu]g kg-1. Quantitative\nanalysis was performed either with the use of matrix-matched standards or by employing commercially available 13C-labeled internal standards\n(available for deoxynivalenol, nivalenol and zearalenon). Good recoveries (100-108\\%) and repeatabilities (RSD 5.4-6.9\\%) were obtained\nat spiking level 500 [mu]g kg-1 with isotope dilution technique. Based on matrix-matched calibration, recoveries and repeatabilities were in\nthe range 84-118\\% and 7.9-12.0\\% (RSD), respectively. The trueness of data obtained for deoxynivalenol and zearalenon in wheat/maize by DART-orbitrapMS was demonstrated by analysis of certified reference materials (CRMs). Good agreement of these results with data generated\nby validated ultra-high pressure liquid chromatography-time-of-flight mass spectrometry method was documented.},\n\tnumber = {5},\n\tjournal = {Talanta},\n\tauthor = {Vaclavik, Lukas and Zachariasova, Milena and Hrbek, Vojtech and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Orbitrap},\n\tpages = {1950--1957},\n}\n\n\n\n
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\n Direct analysis in real time (DART) ionization coupled to an (ultra)high resolution mass spectrometer based on orbitrap technology (orbitrapMS) was used for rapid quantitative analysis of multiple mycotoxins isolated from wheat and maize by modified QuEChERS procedure. After initial evaluation of ionization efficiencies for major groups of mycotoxins achievable with DART technology, sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of most intensively ionizing toxins (deoxynivalenol, nivalenol, zearalenon, actyldeoxynivalenol, deepoxy-deoxynivalenol, fusarenon-X, altenuene, alternariol, alternariolmethylether, diacetoxyscirpenol, sterigmatocystin). The lowest calibration levels (LCLs) estimated for the respective analytes ranged from 50 to 150 [mu]g kg-1. Quantitative analysis was performed either with the use of matrix-matched standards or by employing commercially available 13C-labeled internal standards (available for deoxynivalenol, nivalenol and zearalenon). Good recoveries (100-108%) and repeatabilities (RSD 5.4-6.9%) were obtained at spiking level 500 [mu]g kg-1 with isotope dilution technique. Based on matrix-matched calibration, recoveries and repeatabilities were in the range 84-118% and 7.9-12.0% (RSD), respectively. The trueness of data obtained for deoxynivalenol and zearalenon in wheat/maize by DART-orbitrapMS was demonstrated by analysis of certified reference materials (CRMs). Good agreement of these results with data generated by validated ultra-high pressure liquid chromatography-time-of-flight mass spectrometry method was documented.\n
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\n \n\n \n \n \n \n \n \n Release kinetics of actives from chewing gums into saliva monitored by direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Jeckelmann, N.; and Haefliger, O. P.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(8): 1165–1171. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ReleasePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{jeckelmann_release_2010,\n\ttitle = {Release kinetics of actives from chewing gums into saliva monitored by direct analysis in real time mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4500},\n\tdoi = {10.1002/rcm.4500},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) was used to monitor the release kinetics of a taste-refreshing compound from chewing gums into the saliva of subjects. A new DART-MS sample probe was designed which was about four times more sensitive than the current benchmark probe. This decreased the impact of the dilution of the saliva samples that was required to minimize ion suppression effects and make quantitative analyses without an internal standard possible. The new probe was also about three times more reproducible, which allowed quantitative measurements to be conducted manually without requiring the enhanced precision provided by an automatic sample positioner. The accuracy of analyses performed by DART-MS was verified by comparing the results obtained from saliva samples analyzed both by DART-MS and by a more classical liquid chromatography/mass spectrometry (LC/MS) method. This investigation showed good agreement between the two techniques. DART-MS could then be used to objectively demonstrate the efficiency of a granular carbohydrate-based delivery system to boost for a few minutes the release of a lipophilic flavor raw material with a high octanol/water partition coefficient, cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl) (WS-3), from chewing gum into saliva. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {8},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Jeckelmann, Nicolas and Haefliger, Olivier P.},\n\tyear = {2010},\n\tkeywords = {Applied Biosystems QTrap},\n\tpages = {1165--1171},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) was used to monitor the release kinetics of a taste-refreshing compound from chewing gums into the saliva of subjects. A new DART-MS sample probe was designed which was about four times more sensitive than the current benchmark probe. This decreased the impact of the dilution of the saliva samples that was required to minimize ion suppression effects and make quantitative analyses without an internal standard possible. The new probe was also about three times more reproducible, which allowed quantitative measurements to be conducted manually without requiring the enhanced precision provided by an automatic sample positioner. The accuracy of analyses performed by DART-MS was verified by comparing the results obtained from saliva samples analyzed both by DART-MS and by a more classical liquid chromatography/mass spectrometry (LC/MS) method. This investigation showed good agreement between the two techniques. DART-MS could then be used to objectively demonstrate the efficiency of a granular carbohydrate-based delivery system to boost for a few minutes the release of a lipophilic flavor raw material with a high octanol/water partition coefficient, cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl) (WS-3), from chewing gum into saliva. Copyright © 2010 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Comparison of the Internal Energy Deposition of Direct Analysis in Real Time and Electrospray Ionization Time-of-Flight Mass Spectrometry.\n \n \n \n\n\n \n Harris, G. A.; Hostetler, D. M.; Hampton, C.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(5): 855–863. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{harris_comparison_2010,\n\ttitle = {Comparison of the {Internal} {Energy} {Deposition} of {Direct} {Analysis} in {Real} {Time} and {Electrospray} {Ionization} {Time}-of-{Flight} {Mass} {Spectrometry}},\n\tvolume = {21},\n\tdoi = {10.1016/j.jasms.2010.01.019},\n\tabstract = {The internal energy (Eint) distributions of a series of p-substituted benzylpyridinium ions generated by both direct analysis in real time (DART) and electrospray ionization (ESI) were compared using the “survival yield” method. DART mean Eint values at gas flow rates of 2, 4, and 6 L min−1, and at set temperatures of 175, 250, and 325 °C were in the 1.92–2.21 eV range. ESI mean Eint  at identical temperatures in aqueous and 50\\% methanol solutions ranged between 1.71 and 1.96 eV, and 1.53 and 1.63 eV, respectively. Although the results indicated that ESI is a “softer” ionization technique than DART, there was overlap between the two techniques for the particular time-of-flight mass spectrometer used. As a whole, there was an increase in Eint with increasing reactive and drying gas temperatures for DART and ESI, respectively, indicating thermal ion activation. Three dimensional computational fluid dynamic simulations in combination with direct temperature measurements within the DART ionization region revealed complex inversely coupled fluid-thermal phenomena affecting ion Eint values during atmospheric transport. Primarily, that DART gas temperature in the ionization region was appreciably less than the set gas temperature of DART due to the set gas flow rates. There was no evidence of Eint deposition pathways from metastable-stimulated desorption, but fragmentation induced by high-energy helium metastables was observed at the highest gas flow rates and temperatures.},\n\tnumber = {5},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Harris, G. A. and Hostetler, D. M. and Hampton, C.Y. and Fernández, F. M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {855--863},\n}\n\n\n\n
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\n The internal energy (Eint) distributions of a series of p-substituted benzylpyridinium ions generated by both direct analysis in real time (DART) and electrospray ionization (ESI) were compared using the “survival yield” method. DART mean Eint values at gas flow rates of 2, 4, and 6 L min−1, and at set temperatures of 175, 250, and 325 °C were in the 1.92–2.21 eV range. ESI mean Eint at identical temperatures in aqueous and 50% methanol solutions ranged between 1.71 and 1.96 eV, and 1.53 and 1.63 eV, respectively. Although the results indicated that ESI is a “softer” ionization technique than DART, there was overlap between the two techniques for the particular time-of-flight mass spectrometer used. As a whole, there was an increase in Eint with increasing reactive and drying gas temperatures for DART and ESI, respectively, indicating thermal ion activation. Three dimensional computational fluid dynamic simulations in combination with direct temperature measurements within the DART ionization region revealed complex inversely coupled fluid-thermal phenomena affecting ion Eint values during atmospheric transport. Primarily, that DART gas temperature in the ionization region was appreciably less than the set gas temperature of DART due to the set gas flow rates. There was no evidence of Eint deposition pathways from metastable-stimulated desorption, but fragmentation induced by high-energy helium metastables was observed at the highest gas flow rates and temperatures.\n
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\n \n\n \n \n \n \n \n \n Molecular Analysis of Primary Vapor and Char Products during Stepwise Pyrolysis of Poplar Biomass.\n \n \n \n \n\n\n \n Jones, R. W.; Reinot, T.; and McClelland, J. F.\n\n\n \n\n\n\n Energy & Fuels, 24(9): 5199–5209. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"MolecularPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{jones_molecular_2010,\n\ttitle = {Molecular {Analysis} of {Primary} {Vapor} and {Char} {Products} during {Stepwise} {Pyrolysis} of {Poplar} {Biomass}},\n\tvolume = {24},\n\turl = {http://dx.doi.org/10.1021/ef100655n},\n\tdoi = {10.1021/ef100655n},\n\tabstract = {Pyrolysis of biomass produces both pyrolysis oil and solid char. In this study, poplar has been pyrolyzed in a stepwise fashion over a series of temperatures from 200 to 500 °C, and both the primary products contributing to pyrolysis oil and the changes in the pyrolyzing poplar surface leading toward char have been characterized at each step. The primary products were identified by direct analysis in real time (DART) mass spectrometry, and the changes in the poplar surface were monitored using Fourier transform infrared (FTIR) photoacoustic spectroscopy, with a sampling depth of a few micrometers. The primary products from pyrolyzing cellulose, xylan, and lignin under similar conditions were also characterized to identify the sources of the poplar products.},\n\tnumber = {9},\n\tjournal = {Energy \\& Fuels},\n\tauthor = {Jones, Roger W. and Reinot, Tonu and McClelland, John F.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {5199--5209},\n}\n\n\n\n
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\n Pyrolysis of biomass produces both pyrolysis oil and solid char. In this study, poplar has been pyrolyzed in a stepwise fashion over a series of temperatures from 200 to 500 °C, and both the primary products contributing to pyrolysis oil and the changes in the pyrolyzing poplar surface leading toward char have been characterized at each step. The primary products were identified by direct analysis in real time (DART) mass spectrometry, and the changes in the poplar surface were monitored using Fourier transform infrared (FTIR) photoacoustic spectroscopy, with a sampling depth of a few micrometers. The primary products from pyrolyzing cellulose, xylan, and lignin under similar conditions were also characterized to identify the sources of the poplar products.\n
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\n \n\n \n \n \n \n \n Selective ionization of melamine in powdered milk by using argon direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Dane, A. J.; and Cody, R. B.\n\n\n \n\n\n\n Analyst, 135(4): 696–699. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{dane_selective_2010,\n\ttitle = {Selective ionization of melamine in powdered milk by using argon direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {135},\n\tdoi = {10.1039/B923561B},\n\tabstract = {5-Hydroxymethylfurfural (5-HMF) is a compound with the elemental composition C6H6O3 that is present in powdered milk. Protonated 5-HMF (calculated m/z 127.0395) has the same nominal m/z as protonated melamine (calculated m/z 127.0732) and can interfere with direct analysis of melamine in powdered milk. Tandem mass spectrometry and high-resolution mass spectrometry have been previously used to distinguish melamine from 5-HMF. An alternative approach is presented here that uses the direct analysis in real time (DART) ion source operated with argon gas in combination with acetylacetone and pyridine reagent gases to selectively ionize melamine and eliminate the interference from 5-HMF. High-resolution/accurate mass data were used to verify the elimination of the 5-HMF interference and confirm the melamine elemental composition. With further refinement, this technique could lead to a rapid analysis method for screening large numbers of samples.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Dane, A. John and Cody, R. B.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {696--699},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n 5-Hydroxymethylfurfural (5-HMF) is a compound with the elemental composition C6H6O3 that is present in powdered milk. Protonated 5-HMF (calculated m/z 127.0395) has the same nominal m/z as protonated melamine (calculated m/z 127.0732) and can interfere with direct analysis of melamine in powdered milk. Tandem mass spectrometry and high-resolution mass spectrometry have been previously used to distinguish melamine from 5-HMF. An alternative approach is presented here that uses the direct analysis in real time (DART) ion source operated with argon gas in combination with acetylacetone and pyridine reagent gases to selectively ionize melamine and eliminate the interference from 5-HMF. High-resolution/accurate mass data were used to verify the elimination of the 5-HMF interference and confirm the melamine elemental composition. With further refinement, this technique could lead to a rapid analysis method for screening large numbers of samples.\n
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\n \n\n \n \n \n \n \n Applications of Direct Analysis in Real Time Mass Spectrometry (DART-MS) in Allium Chemistry. (Z)-Butanethial S-Oxide and 1-Butenyl Thiosulfinates and Their S-(E)-1-Butenylcysteine S-Oxide Precursor from Allium siculum.\n \n \n \n\n\n \n Kubec, R.; Cody, R.; Dane, A.; Musah, R.; Schraml, J.; Vattekkatte, A.; and Block, E.\n\n\n \n\n\n\n Journal of Agricultural and Food Chemistry, 58(2): 1121–1128. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kubec_applications_2010,\n\ttitle = {Applications of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) in {Allium} {Chemistry}. ({Z})-{Butanethial} {S}-{Oxide} and 1-{Butenyl} {Thiosulfinates} and {Their} {S}-({E})-1-{Butenylcysteine} {S}-{Oxide} {Precursor} from {Allium} siculum},\n\tvolume = {58},\n\tissn = {0021-8561},\n\tdoi = {10.1021/jf903733e},\n\tabstract = {Lachrymatory (Z)-butanethial S-oxide along with several 1-butenyl thiosulfinates was detected by DART mass spectrometry upon cutting Allium siculum, a popular ornamental Allium species used in some cultures as a spice. (Z)-Butanethial S-oxide isolated from the plant was shown to be identical to a synthetic sample. Its likely precursor, (RS,RC,E)-S-(1-butenyl)cysteine S-oxide (homoisoalliin), was isolated from homogenates of A. siculum, and a closely related species Allium tripedale, and fully characterized. Through use of LC-MS, a series of related γ-glutamyl derivatives were tentatively identified in A. siculum and A. tripedale homogenates, including γ-glutamyl-(E)-S-(1-butenyl)cysteine and its S-oxide, γ-glutamyl-S-butylcysteine and its S-oxide, and γ-glutamyl-S-methylcysteine and its S-oxide. Because compounds containing the 1-butenyl group have not been previously identified in genus Allium species, this work extends the range of known Allium sulfur compounds. The general applicability of DART mass spectrometry in identifying naturally occurring, thermally fragile thial S-oxides and thiosulfinates is illustrated with onion, Allium cepa, as well as a plant from a different genus, Petiveria alliacea.},\n\tnumber = {2},\n\tjournal = {Journal of Agricultural and Food Chemistry},\n\tauthor = {Kubec, R. and Cody, R.B. and Dane, A.J. and Musah, R.A. and Schraml, J. and Vattekkatte, A. and Block, E.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1121--1128},\n}\n\n\n\n
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\n Lachrymatory (Z)-butanethial S-oxide along with several 1-butenyl thiosulfinates was detected by DART mass spectrometry upon cutting Allium siculum, a popular ornamental Allium species used in some cultures as a spice. (Z)-Butanethial S-oxide isolated from the plant was shown to be identical to a synthetic sample. Its likely precursor, (RS,RC,E)-S-(1-butenyl)cysteine S-oxide (homoisoalliin), was isolated from homogenates of A. siculum, and a closely related species Allium tripedale, and fully characterized. Through use of LC-MS, a series of related γ-glutamyl derivatives were tentatively identified in A. siculum and A. tripedale homogenates, including γ-glutamyl-(E)-S-(1-butenyl)cysteine and its S-oxide, γ-glutamyl-S-butylcysteine and its S-oxide, and γ-glutamyl-S-methylcysteine and its S-oxide. Because compounds containing the 1-butenyl group have not been previously identified in genus Allium species, this work extends the range of known Allium sulfur compounds. The general applicability of DART mass spectrometry in identifying naturally occurring, thermally fragile thial S-oxides and thiosulfinates is illustrated with onion, Allium cepa, as well as a plant from a different genus, Petiveria alliacea.\n
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\n \n\n \n \n \n \n \n Routine analysis and characterization of highly insoluble polycyclic aromatic compounds by direct analysis in real time mass spectrometry (DART).\n \n \n \n\n\n \n Domin, M.; Steinberg, B.; Quimby, J.; Smith, N.; Greene, A.; and Scott, L.\n\n\n \n\n\n\n Analyst, 135(4): 700–704. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{domin_routine_2010,\n\ttitle = {Routine analysis and characterization of highly insoluble polycyclic aromatic compounds by direct analysis in real time mass spectrometry ({DART})},\n\tvolume = {135},\n\tdoi = {10.1039/b923300h},\n\tabstract = {Direct Analysis in Real Time (DART), is used for the first time for the routine rapid analysis of highly insoluble polycyclic aromatic compounds. Direct analysis of such compounds as solid samples under solvent-free conditions shows that DART is a powerful analytical platform capable of providing high-throughput analysis for these complex samples, requiring no special sample pre-treatment or instrument setup.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Domin, M.A. and Steinberg, B.D. and Quimby, J.M. and Smith, N.J. and Greene, A.K. and Scott, L.T.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {700--704},\n}\n\n\n\n
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\n Direct Analysis in Real Time (DART), is used for the first time for the routine rapid analysis of highly insoluble polycyclic aromatic compounds. Direct analysis of such compounds as solid samples under solvent-free conditions shows that DART is a powerful analytical platform capable of providing high-throughput analysis for these complex samples, requiring no special sample pre-treatment or instrument setup.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time Ion Source.\n \n \n \n\n\n \n Cody, R. B.; and Dane, A. J.\n\n\n \n\n\n\n In Meyers, R. A., editor(s), Encyclopedia of Analytical Chemistry. John Wiley & Sons, Ltd., Published online: December 15, 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@incollection{cody_direct_2010,\n\taddress = {Published online: December 15},\n\ttitle = {Direct {Analysis} in {Real} {Time} {Ion} {Source}},\n\tisbn = {978-0-470-02731-8},\n\tabstract = {Direct Analysis in Real Time (DARTTM) refers to an atmospheric-pressure “open-air” ion source that is based on the interaction of long-lived (“metastable”) excited-state neutral atoms or molecules with analytes and atmospheric gases. The DART source is used for the rapid analysis of liquids, solids, vapors, or materials on surfaces in open air with little or no sample preparation.},\n\tbooktitle = {Encyclopedia of {Analytical} {Chemistry}},\n\tpublisher = {John Wiley \\& Sons, Ltd.},\n\tauthor = {Cody, Robert B. and Dane, A. John},\n\teditor = {Meyers, Robert A.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
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\n Direct Analysis in Real Time (DARTTM) refers to an atmospheric-pressure “open-air” ion source that is based on the interaction of long-lived (“metastable”) excited-state neutral atoms or molecules with analytes and atmospheric gases. The DART source is used for the rapid analysis of liquids, solids, vapors, or materials on surfaces in open air with little or no sample preparation.\n
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\n \n\n \n \n \n \n \n Thermal separation to facilitate Direct Analysis in Real Time (DART) of mixtures.\n \n \n \n\n\n \n Nilles, J.; Connell, T.; and Durst, H.\n\n\n \n\n\n\n Analyst, 135(5): 883–886. 2010.\n \n\n\n\n
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@article{nilles_thermal_2010,\n\ttitle = {Thermal separation to facilitate {Direct} {Analysis} in {Real} {Time} ({DART}) of mixtures},\n\tvolume = {135},\n\tdoi = {10.1039/c0an00036a},\n\tabstract = {We explore a thermal separation technique for use with Direct Analysis in Real Time (DART). By applying gas temperature ramping, we are able to disburse a mixture of compounds in time. The three components were selected to create a challenging mixture that would not likely be discerned solely using exact mass capabilities. While the thermal separation technique is of low resolution, it preserves the inherent rapid, non-contact, ambient characteristics of the ion source.},\n\tnumber = {5},\n\tjournal = {Analyst},\n\tauthor = {Nilles, J.M. and Connell, T.R. and Durst, H.D.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {883--886},\n}\n\n\n\n
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\n We explore a thermal separation technique for use with Direct Analysis in Real Time (DART). By applying gas temperature ramping, we are able to disburse a mixture of compounds in time. The three components were selected to create a challenging mixture that would not likely be discerned solely using exact mass capabilities. While the thermal separation technique is of low resolution, it preserves the inherent rapid, non-contact, ambient characteristics of the ion source.\n
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\n \n\n \n \n \n \n \n Investigations on the Coupling of High-Performance Liquid Chromatography to Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Eberherr, W.; Buchberger, W.; Hertsens, R.; and Klampfl, C.\n\n\n \n\n\n\n Analytical Chemistry, 82(13): 5792–5796. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{eberherr_investigations_2010,\n\ttitle = {Investigations on the {Coupling} of {High}-{Performance} {Liquid} {Chromatography} to {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {82},\n\tdoi = {10.1021/ac1008496},\n\tabstract = {A novel hyphenated technique namely the combination of HPLC with direct analysis in real time (DART) mass spectrometry (MS) is presented. The coupling of HPLC to DART-MS was achieved by a simple interface design with a capillary end piece transferring the HPLC effluent to the ionization region of the DART. Flow rates (0.3−1.6 mL min−1) and inner diameters of the capillary (50−150 μm) were harmonized to provide a stable liquid jet. Ionization-related parameters optimized included positioning of the capillary end piece with respect to He outlet of the ionization source and the MS inlet, He heater temperature and He flow rate. Among DART-MS voltages, the grid electrode voltage proved to have the most pronounced effect on signal intensities. A major benefit of this setup is the possibility to employ (commonly not MS-compatible) HPLC eluents such as phosphate buffers up to a phosphate concentration of 120 mM even at typical HPLC flow rates such as 1 mL min−1  and above without negative side effects like contamination of the ion source or ion suppression. Experiments evaluating the correlation of signal intensity to mass-flow and concentration revealed that DART-MS can be seen as a mass flow sensitive detector. The usability of this hyphenated technique has been tested on the example of four parabenes (measured in the negative ion mode) as well as a set of pyrazine derivatives (measured in the positive ion mode). For the parabenes limits of detection (LOD) in the range of 20−55 μg L−1 and linear ranges from at least 200−10000 μg L−1 with correlation coefficients better than 0.997 were obtained.},\n\tnumber = {13},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Eberherr, W. and Buchberger, W. and Hertsens, R. and Klampfl, C.W.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {5792--5796},\n}\n\n\n\n
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\n\n\n
\n A novel hyphenated technique namely the combination of HPLC with direct analysis in real time (DART) mass spectrometry (MS) is presented. The coupling of HPLC to DART-MS was achieved by a simple interface design with a capillary end piece transferring the HPLC effluent to the ionization region of the DART. Flow rates (0.3−1.6 mL min−1) and inner diameters of the capillary (50−150 μm) were harmonized to provide a stable liquid jet. Ionization-related parameters optimized included positioning of the capillary end piece with respect to He outlet of the ionization source and the MS inlet, He heater temperature and He flow rate. Among DART-MS voltages, the grid electrode voltage proved to have the most pronounced effect on signal intensities. A major benefit of this setup is the possibility to employ (commonly not MS-compatible) HPLC eluents such as phosphate buffers up to a phosphate concentration of 120 mM even at typical HPLC flow rates such as 1 mL min−1 and above without negative side effects like contamination of the ion source or ion suppression. Experiments evaluating the correlation of signal intensity to mass-flow and concentration revealed that DART-MS can be seen as a mass flow sensitive detector. The usability of this hyphenated technique has been tested on the example of four parabenes (measured in the negative ion mode) as well as a set of pyrazine derivatives (measured in the positive ion mode). For the parabenes limits of detection (LOD) in the range of 20−55 μg L−1 and linear ranges from at least 200−10000 μg L−1 with correlation coefficients better than 0.997 were obtained.\n
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\n \n\n \n \n \n \n \n Determination of organic UV filters in water by stir bar sorptive extraction and direct analysis in real-time mass spectrometry.\n \n \n \n\n\n \n Haunschmidt, M.; Klampfl, C.; Buchberger, W.; and Hertsens, R.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 397(1): 269–275. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{haunschmidt_determination_2010,\n\ttitle = {Determination of organic {UV} filters in water by stir bar sorptive extraction and direct analysis in real-time mass spectrometry},\n\tvolume = {397},\n\tdoi = {10.1007/s00216-009-3438-9},\n\tabstract = {A screening method for analyzing environmental waters contaminated with UV filters using direct analysis in real-time mass spectrometry (DART-MS) was developed. To demonstrate the suitability of DART-MS a test set of seven organic UV filters, namely benzophenone-3 (BP-3), ethylhexyl dimethyl p-aminobenzoate (OD-PABA), 4-t-butyl-4′-methoxydibenzoylmethane (BM-DBM), homomethyl salicylate (HMS), 2-(ethylhexyl) salicylate (EHS), octocrylene (OC), and 4-methylbenzylidene camphor (4-MBC), was defined. In the first step, standard solutions of the analytes prepared in methanol were investigated in order to determine optimum parameters for the DART-MS. Because of the very low concentrations of UV filters expected in environmental water samples, a pre-concentration step using stir bar sorptive extraction was performed. DART-MS allows the direct, simple and rapid semi-quantitative analysis of the analytes enriched on the surface of the polydimethylsiloxane-coated stir bars. The optimized method provided calibration curves with correlation coefficients R{\\textgreater}0.959, repeatability from 5\\% (for 4-MBC) to 30\\% (for BM-DBM) relative standard deviation and limits of detection lower than 40 ng L−1 for all analytes. Finally, real lake water samples from locations with typical leisure activities were analyzed. Results obtained with the developed DART-MS method were cross-checked by confirmatory analysis using thermodesorption gas chromatography mass spectrometry (TD-GC-MS). Thereby, it could be demonstrated that both analytical methods provide comparable concentrations for the UV filters in the lake water samples.},\n\tnumber = {1},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Haunschmidt, Manuela and Klampfl, Christian and Buchberger, Wolfgang and Hertsens, Robert},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {269--275},\n}\n\n\n\n
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\n A screening method for analyzing environmental waters contaminated with UV filters using direct analysis in real-time mass spectrometry (DART-MS) was developed. To demonstrate the suitability of DART-MS a test set of seven organic UV filters, namely benzophenone-3 (BP-3), ethylhexyl dimethyl p-aminobenzoate (OD-PABA), 4-t-butyl-4′-methoxydibenzoylmethane (BM-DBM), homomethyl salicylate (HMS), 2-(ethylhexyl) salicylate (EHS), octocrylene (OC), and 4-methylbenzylidene camphor (4-MBC), was defined. In the first step, standard solutions of the analytes prepared in methanol were investigated in order to determine optimum parameters for the DART-MS. Because of the very low concentrations of UV filters expected in environmental water samples, a pre-concentration step using stir bar sorptive extraction was performed. DART-MS allows the direct, simple and rapid semi-quantitative analysis of the analytes enriched on the surface of the polydimethylsiloxane-coated stir bars. The optimized method provided calibration curves with correlation coefficients R\\textgreater0.959, repeatability from 5% (for 4-MBC) to 30% (for BM-DBM) relative standard deviation and limits of detection lower than 40 ng L−1 for all analytes. Finally, real lake water samples from locations with typical leisure activities were analyzed. Results obtained with the developed DART-MS method were cross-checked by confirmatory analysis using thermodesorption gas chromatography mass spectrometry (TD-GC-MS). Thereby, it could be demonstrated that both analytical methods provide comparable concentrations for the UV filters in the lake water samples.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART) Mass Spectrometry of Nucleotides and Nucleosides: Elucidation of a Novel Fragment [C5H5O]+ and Its In-Source Adducts.\n \n \n \n\n\n \n Curtis, M. E.; Minier, M. A.; Chitranshi, P.; Sparkman, O. D.; Jones, P. R.; and Xue, L.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(8): 1371–1381. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{curtis_direct_2010,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry} of {Nucleotides} and {Nucleosides}: {Elucidation} of a {Novel} {Fragment} [{C5H5O}]+ and {Its} {In}-{Source} {Adducts}},\n\tvolume = {21},\n\tdoi = {10.1016/j.jasms.2010.03.046},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry is a recently developed innovative technology, which has shown broad applications for fast and convenient analysis of complex samples. Due to the ease of sample preparation, we have recently initiated an investigation of the feasibility of detecting nucleotides and nucleosides using the DART-AccuTOF instrument, which we will refer to as the DART mass spectrometer. Our experimental results reveal that the ions representing the intact molecules of nucleotides are not detectable in either positive-ion or negative-ion mode. Instead, all four natural nucleotides fragment in the DART ion source, and a common fragment ion, [C5H5O]+ (1), is observed, which is probably formed via multiple- elimination reactions. Interestingly, 1  can form adducts with nucleobases in different molar ratios in the DART ion source. In contrast to nucleotides, the ions representing the intact molecules of nucleosides are detected in both positive-ion and negative-ion mode using DART mass spectrometry. Surprisingly, the fragmentation pattern of nucleosides is different from that of nucleotides in the DART ion source. In the cases of nucleosides (under positive-ion conditions), the production of 1 is not observed, indicating that the phosphate group plays an important role for the multiple eliminations observed in the spectra of nucleotides. The in-source reactions described in the present work show the complexity of the conditions in the DART ion source, and we hope that our results illustrate a better understanding about DART mass spectrometry.},\n\tnumber = {8},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Curtis, M. E. and Minier, M. A. and Chitranshi, P. and Sparkman, O. D. and Jones, P. R. and Xue, L.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1371--1381},\n}\n\n\n\n
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\n Direct analysis in real time (DART) mass spectrometry is a recently developed innovative technology, which has shown broad applications for fast and convenient analysis of complex samples. Due to the ease of sample preparation, we have recently initiated an investigation of the feasibility of detecting nucleotides and nucleosides using the DART-AccuTOF instrument, which we will refer to as the DART mass spectrometer. Our experimental results reveal that the ions representing the intact molecules of nucleotides are not detectable in either positive-ion or negative-ion mode. Instead, all four natural nucleotides fragment in the DART ion source, and a common fragment ion, [C5H5O]+ (1), is observed, which is probably formed via multiple- elimination reactions. Interestingly, 1 can form adducts with nucleobases in different molar ratios in the DART ion source. In contrast to nucleotides, the ions representing the intact molecules of nucleosides are detected in both positive-ion and negative-ion mode using DART mass spectrometry. Surprisingly, the fragmentation pattern of nucleosides is different from that of nucleotides in the DART ion source. In the cases of nucleosides (under positive-ion conditions), the production of 1 is not observed, indicating that the phosphate group plays an important role for the multiple eliminations observed in the spectra of nucleotides. The in-source reactions described in the present work show the complexity of the conditions in the DART ion source, and we hope that our results illustrate a better understanding about DART mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Bambusae Caulis in Taeniam extract reduces ovalbumin-induced airway inflammation and T helper 2 responses in mice.\n \n \n \n \n\n\n \n Ra, J.; Lee, S.; Kim, H.; Jang, Y.; Ahn, H.; and Kim, J.\n\n\n \n\n\n\n Journal of Ethnopharmacology, 128(1): 241–247. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"BambusaePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{ra_bambusae_2010,\n\ttitle = {Bambusae {Caulis} in {Taeniam} extract reduces ovalbumin-induced airway inflammation and {T} helper 2 responses in mice},\n\tvolume = {128},\n\turl = {http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6T8D-4Y5BMD1-B&_user=10&_coverDate=03%2F02%2F2010&_rdoc=1&_fmt=high&_orig=search&_sort=d&_docanchor=&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=4d40845f392128c88900870785447421},\n\tdoi = {10.1016/j.jep.2010.01.023},\n\tabstract = {Ethnopharmacological relevance Bambusae Caulis in Taeniam (BC) was known as traditional herbal medicine with anti-inflammatory property in the Orient. Aim of the study Allergic asthma is inflammatory disease of airways associated with enhanced T helper (Th) 2 lymphocytes responses to allergens, leading to eosinophilic infiltration and elevated serum IgE levels. Although there were some studies that BC extract had an anti-inflammatory property, there was no study on asthma. In present study, we investigated the suitability of BC extract as a therapeutic candidate in the treatment of allergic airway disease in ovalbumin-induced asthma model. Materials and methods Balb/C mice (female, 6 weeks old) were treated by ovalbumin sensitization and nebulization, and used as asthma model. The number of eosinophil in bronchoalveolar lavage (BAL) fluid and the degree of eosinophila were investigated by hematoxylin and eosin stain and the infiltration of inflammatory cells into lung tissues was examined by staining by hematoxylin and eosin solution. The levels of interleukin (IL)-4 in BAL fluid, immunoglobulin E (IgE) in serum, interferon (IFN)-γ and IL-4 production in splenocyte culture from Balb/C mice (not treated, 6 weeks old) that incubated with or without BC extract for 48 h were determined by enzyme-linked immunosorbent assay. Results The level of eosinophils was decreased by treatment of the animals with BC extract (40 mg/kg) and correspondingly, a significantly lowered degree of eosinophila was also reported (p {\\textless} 0.01). In lung tissue, BC extract reduced the increased immune cell infiltration induced by OVA (p {\\textless} 0.05). Furthermore, the levels of IL-4 and IgE in BAL fluid or serum up-regulated by OVA was decreased by BC extract. Finally, IFN-γ production was significantly increased (p {\\textless} 0.01), while IL-4 production significantly decreased (p {\\textless} 0.01), after treatment of the culture supernatants of splenocytes with BC extract. Conclusions These results indicated that BC extract reduces OVA-induced airway inflammation and Th 2 response in mice, suggesting that BC extract can be a therapeutic candidate for allergic airway disease, including asthma.},\n\tnumber = {1},\n\tjournal = {Journal of Ethnopharmacology},\n\tauthor = {Ra, J. and Lee, S. and Kim, H.J. and Jang, Y.P. and Ahn, H. and Kim, J.},\n\tyear = {2010},\n\tkeywords = {Airway inflammation; Bambusae Caulis in Taeniam; Herbal medicine; AccuTOF},\n\tpages = {241--247},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Ethnopharmacological relevance Bambusae Caulis in Taeniam (BC) was known as traditional herbal medicine with anti-inflammatory property in the Orient. Aim of the study Allergic asthma is inflammatory disease of airways associated with enhanced T helper (Th) 2 lymphocytes responses to allergens, leading to eosinophilic infiltration and elevated serum IgE levels. Although there were some studies that BC extract had an anti-inflammatory property, there was no study on asthma. In present study, we investigated the suitability of BC extract as a therapeutic candidate in the treatment of allergic airway disease in ovalbumin-induced asthma model. Materials and methods Balb/C mice (female, 6 weeks old) were treated by ovalbumin sensitization and nebulization, and used as asthma model. The number of eosinophil in bronchoalveolar lavage (BAL) fluid and the degree of eosinophila were investigated by hematoxylin and eosin stain and the infiltration of inflammatory cells into lung tissues was examined by staining by hematoxylin and eosin solution. The levels of interleukin (IL)-4 in BAL fluid, immunoglobulin E (IgE) in serum, interferon (IFN)-γ and IL-4 production in splenocyte culture from Balb/C mice (not treated, 6 weeks old) that incubated with or without BC extract for 48 h were determined by enzyme-linked immunosorbent assay. Results The level of eosinophils was decreased by treatment of the animals with BC extract (40 mg/kg) and correspondingly, a significantly lowered degree of eosinophila was also reported (p \\textless 0.01). In lung tissue, BC extract reduced the increased immune cell infiltration induced by OVA (p \\textless 0.05). Furthermore, the levels of IL-4 and IgE in BAL fluid or serum up-regulated by OVA was decreased by BC extract. Finally, IFN-γ production was significantly increased (p \\textless 0.01), while IL-4 production significantly decreased (p \\textless 0.01), after treatment of the culture supernatants of splenocytes with BC extract. Conclusions These results indicated that BC extract reduces OVA-induced airway inflammation and Th 2 response in mice, suggesting that BC extract can be a therapeutic candidate for allergic airway disease, including asthma.\n
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\n \n\n \n \n \n \n \n Profiling of Piper betle Linn. cultivars by direct analysis in real time mass spectrometric technique.\n \n \n \n\n\n \n Bajpai, V.; Sharma, D.; Kumar, B.; and Madhusudanan, K. P.\n\n\n \n\n\n\n Biomedical Chromatography, 24(12): 1283–1286. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{bajpai_profiling_2010,\n\ttitle = {Profiling of {Piper} betle {Linn}. cultivars by direct analysis in real time mass spectrometric technique},\n\tvolume = {24},\n\tdoi = {10.1002/bmc.1437},\n\tabstract = {Piper betle Linn. is a traditional plant associated with the Asian and southeast Asian cultures. Its use is also recorded in folk medicines in these regions. Several of its medicinal properties have recently been proven. Phytochemical analysis showed the presence of mainly terpenes and phenols in betel leaves. These constituents vary in the different cultivars of Piper betle. In this paper we have attempted to profile eight locally available betel cultivars using the recently developed mass spectral ionization technique of direct analysis in real time (DART). Principal component analysis has also been employed to analyze the DART MS data of these betel cultivars. The results show that the cultivars of Piper betle could be differentiated using DART MS data.},\n\tnumber = {12},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Bajpai, Vikas and Sharma, Deepty and Kumar, Brijesh and Madhusudanan, K. P.},\n\tyear = {2010},\n\tkeywords = {DARTMS; Piper betle L; cultivars; profiling; PCA; AccuTOF},\n\tpages = {1283--1286},\n}\n\n\n\n
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\n Piper betle Linn. is a traditional plant associated with the Asian and southeast Asian cultures. Its use is also recorded in folk medicines in these regions. Several of its medicinal properties have recently been proven. Phytochemical analysis showed the presence of mainly terpenes and phenols in betel leaves. These constituents vary in the different cultivars of Piper betle. In this paper we have attempted to profile eight locally available betel cultivars using the recently developed mass spectral ionization technique of direct analysis in real time (DART). Principal component analysis has also been employed to analyze the DART MS data of these betel cultivars. The results show that the cultivars of Piper betle could be differentiated using DART MS data.\n
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\n \n\n \n \n \n \n \n Capabilities of direct analysis in real time mass spectrometry and gas chromatography-mass spectrometry in the mint oil test.\n \n \n \n\n\n \n Chernetsova, E. S.; Khomyakov, Y. Y.; Goryainov, S. V.; Ovcharov, M. V.; Bochkov, P. O.; Zatonsky, G. V.; Zhokhov, S. S.; and Abramovich, R. A.\n\n\n \n\n\n\n Mendeleev Communications, 20(5): 299–300. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{chernetsova_capabilities_2010,\n\ttitle = {Capabilities of direct analysis in real time mass spectrometry and gas chromatography-mass spectrometry in the mint oil test},\n\tvolume = {20},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry is compared to gas chromatography–mass spectrometry by the example of mint essential oil analysis.},\n\tnumber = {5},\n\tjournal = {Mendeleev Communications},\n\tauthor = {Chernetsova, Elena S. and Khomyakov, Yuri Yu. and Goryainov, Sergey V. and Ovcharov, Maxim V. and Bochkov, Pavel O. and Zatonsky, George V. and Zhokhov, Sergey S. and Abramovich, Rimma A.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {299--300},\n}\n\n\n\n
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\n Direct analysis in real time (DART) mass spectrometry is compared to gas chromatography–mass spectrometry by the example of mint essential oil analysis.\n
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\n \n\n \n \n \n \n \n The use of DART mass spectrometry for express confirmation of empirical formulas of heterocyclic compounds.\n \n \n \n\n\n \n Chernetsova, E.; Ovcharov, M.; Khomyakov, Y. Y.; Bochkov, P.; and Varlamov, A.\n\n\n \n\n\n\n Russian Chemical Bulletin, 59(10): 2014–2015. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{chernetsova_use_2010,\n\ttitle = {The use of {DART} mass spectrometry for express confirmation of empirical formulas of heterocyclic compounds},\n\tvolume = {59},\n\tabstract = {The results of studying the possibility of using DART spectrometry with a time-of-flight mass analyzer to confirm the elemental composition of heterocyclic compounds are presented. The method makes it possible to rapidly determine the molecular weight and to calculate the empirical formula of organic synthesis product.},\n\tnumber = {10},\n\tjournal = {Russian Chemical Bulletin},\n\tauthor = {Chernetsova, E.S. and Ovcharov, M.V. and Khomyakov, Yu. Yu. and Bochkov, P.O. and Varlamov, A.V.},\n\tyear = {2010},\n\tkeywords = {DART mass spectrometry; heterocyclic compounds; AccuTOF},\n\tpages = {2014--2015},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n The results of studying the possibility of using DART spectrometry with a time-of-flight mass analyzer to confirm the elemental composition of heterocyclic compounds are presented. The method makes it possible to rapidly determine the molecular weight and to calculate the empirical formula of organic synthesis product.\n
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\n \n\n \n \n \n \n \n Applications of Direct Analysis in Real Time Mass Spectrometry (DART-MS) in Allium Chemistry. 2-Propenesulfenic and 2-Propenesulfinic Acids, Diallyl Trisulfane S-Oxide, and Other Reactive Sulfur Compounds from Crushed Garlic and Other Alliums.\n \n \n \n\n\n \n Block, E.; Dane, A.; Thomas, S.; and Cody, R.\n\n\n \n\n\n\n Journal of Agricultural and Food Chemistry, 58(8): 4617–4625. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{block_applications_2010,\n\ttitle = {Applications of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) in {Allium} {Chemistry}. 2-{Propenesulfenic} and 2-{Propenesulfinic} {Acids}, {Diallyl} {Trisulfane} {S}-{Oxide}, and {Other} {Reactive} {Sulfur} {Compounds} from {Crushed} {Garlic} and {Other} {Alliums}},\n\tvolume = {58},\n\tdoi = {10.1021/jf1000106},\n\tabstract = {Through the use of direct analysis in real time mass spectrometry (DART-MS), 2-propenesulfenic acid, an intermediate long postulated as being formed when garlic (Allium sativum) is crushed, has been detected for the first time and determined by mass spectrometric methods to have a half-life of {\\textless}1 s at room temperature. Two other key intermediates, 2-propenesulfinic acid and diallyl trisulfane S-oxide, have also been detected for the first time in volatiles from crushed garlic, along with allicin and related thiosulfinates, allyl alcohol, sulfur dioxide, propene, and pyruvate as coproducts. A commercial dietary supplement containing garlic powder, which was sampled after crushing, was found to contain alliin, methiin, and S-allylcysteine and produced allicin upon addition of water. DART-MS detection of 1-butenesulfenic acid from the ornamental A. siculum is also reported. (Z)-Propanethial S-oxide (onion lachrymatory factor), absent in garlic, is found to be formed from crushed elephant garlic (Allium ampeloprasum), consistent with the classification of this plant as a closer relative of leek than of garlic. Mixtures of thiosulfinates, lachrymatory thial S-oxides, and related compounds are directly observed from crushed leek (Allium porrum) and Chinese chive (Allium tuberosum). Disulfanes and polysulfanes are detected only when the Allium samples are heated, consistent with earlier conclusions that these are not primary products from cut or crushed alliums.},\n\tnumber = {8},\n\tjournal = {Journal of Agricultural and Food Chemistry},\n\tauthor = {Block, E. and Dane, A.J. and Thomas, S. and Cody, R.B.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {4617--4625},\n}\n\n\n\n
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\n Through the use of direct analysis in real time mass spectrometry (DART-MS), 2-propenesulfenic acid, an intermediate long postulated as being formed when garlic (Allium sativum) is crushed, has been detected for the first time and determined by mass spectrometric methods to have a half-life of \\textless1 s at room temperature. Two other key intermediates, 2-propenesulfinic acid and diallyl trisulfane S-oxide, have also been detected for the first time in volatiles from crushed garlic, along with allicin and related thiosulfinates, allyl alcohol, sulfur dioxide, propene, and pyruvate as coproducts. A commercial dietary supplement containing garlic powder, which was sampled after crushing, was found to contain alliin, methiin, and S-allylcysteine and produced allicin upon addition of water. DART-MS detection of 1-butenesulfenic acid from the ornamental A. siculum is also reported. (Z)-Propanethial S-oxide (onion lachrymatory factor), absent in garlic, is found to be formed from crushed elephant garlic (Allium ampeloprasum), consistent with the classification of this plant as a closer relative of leek than of garlic. Mixtures of thiosulfinates, lachrymatory thial S-oxides, and related compounds are directly observed from crushed leek (Allium porrum) and Chinese chive (Allium tuberosum). Disulfanes and polysulfanes are detected only when the Allium samples are heated, consistent with earlier conclusions that these are not primary products from cut or crushed alliums.\n
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\n \n\n \n \n \n \n \n An ultra superfast identification of low-molecular components of pharmaceuticals by DART mass spectrometry.\n \n \n \n\n\n \n Chernetsova, E.; Bochkov, P.; Ovcharov, M.; Zatonskii, G.; and Abramovich, R.\n\n\n \n\n\n\n Journal of Analytical Chemistry, 65(14): 1537–1539. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{chernetsova_ultra_2010,\n\ttitle = {An ultra superfast identification of low-molecular components of pharmaceuticals by {DART} mass spectrometry},\n\tvolume = {65},\n\tnumber = {14},\n\tjournal = {Journal of Analytical Chemistry},\n\tauthor = {Chernetsova, E.S. and Bochkov, P.O. and Ovcharov, M.V. and Zatonskii, G.V. and Abramovich, R.A.},\n\tyear = {2010},\n\tkeywords = {DART; AccuTOF},\n\tpages = {1537--1539},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Recognition of beer brand based on multivariate analysis of volatile fingerprint.\n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1217(25): 4195–4203. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cajka_recognition_2010,\n\ttitle = {Recognition of beer brand based on multivariate analysis of volatile fingerprint},\n\tvolume = {1217},\n\tdoi = {10.1016/j.chroma.2009.12.049},\n\tabstract = {Automated head-space solid-phase microextraction (HS-SPME)-based sampling procedure, coupled to gas chromatography-time-of-flight mass spectrometry (GC-TOFMS), was developed and employed for obtaining of fingerprints (GC profiles) of beer volatiles. In total, 265 speciality beer samples were collected over a 1-year period with the aim to distinguish, based on analytical (profiling) data, (i) the beers labelled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. For the chemometric evaluation of the data, partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) were tested. The best prediction ability was obtained for the model that distinguished a group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided 100\\% correct classification. Slightly worse prediction abilities were achieved for the models "Trappist vs. non-Trappist beers" with the values of 93.9\\% (PLS-DA), 91.9\\% (LDA) and 97.0\\% (ANN-MLP) and "Rochefort 8 vs. the rest" with the values of 87.9\\% (PLS-DA) and 84.8\\% (LDA) and 93.9\\% (ANN-MLP). In addition to chromatographic profiling, also the potential of direct coupling of SPME (extraction/pre-concentration device) with high-resolution TOFMS employing a direct analysis in real time (DART) ion source has been demonstrated as a challenging profiling approach.},\n\tnumber = {25},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Cajka, T. and Riddellova, K. and Tomaniova, M. and Hajslova, J.},\n\tyear = {2010},\n\tkeywords = {DART; AccuTOF},\n\tpages = {4195--4203},\n}\n\n\n\n
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\n\n\n
\n Automated head-space solid-phase microextraction (HS-SPME)-based sampling procedure, coupled to gas chromatography-time-of-flight mass spectrometry (GC-TOFMS), was developed and employed for obtaining of fingerprints (GC profiles) of beer volatiles. In total, 265 speciality beer samples were collected over a 1-year period with the aim to distinguish, based on analytical (profiling) data, (i) the beers labelled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. For the chemometric evaluation of the data, partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) were tested. The best prediction ability was obtained for the model that distinguished a group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided 100% correct classification. Slightly worse prediction abilities were achieved for the models \"Trappist vs. non-Trappist beers\" with the values of 93.9% (PLS-DA), 91.9% (LDA) and 97.0% (ANN-MLP) and \"Rochefort 8 vs. the rest\" with the values of 87.9% (PLS-DA) and 84.8% (LDA) and 93.9% (ANN-MLP). In addition to chromatographic profiling, also the potential of direct coupling of SPME (extraction/pre-concentration device) with high-resolution TOFMS employing a direct analysis in real time (DART) ion source has been demonstrated as a challenging profiling approach.\n
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\n \n\n \n \n \n \n \n Allium chemistry: Use of new instrumental techniques to “see” reactive organosulfur species formed upon crushing garlic and onion.\n \n \n \n\n\n \n Block, E.; Cody, R.; Dane, A.; Sheridan, R.; Vattekkatte, A.; and Wang, K.\n\n\n \n\n\n\n Pure and Applied Chemistry, 82(3): 535–539. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{block_allium_2010,\n\ttitle = {Allium chemistry: {Use} of new instrumental techniques to “see” reactive organosulfur species formed upon crushing garlic and onion},\n\tvolume = {82},\n\tdoi = {10.1351/PAC-CON-09-08-12},\n\tabstract = {Three different instrumental methods have been used to examine the organosulfur chemistry of intact and cut garlic and onions: X-ray fluorescence spectroscopic imaging (XFS), direct analysis in real time (DART) mass spec-trometry, and ultra-performance liquid chromatography-(Ag+)-coordination ion spray mass spectrometry (UPLC–(Ag+)CIS–MS). The first technique has been used to map the location of different chemical forms of sulfur in intact and damaged onion cells, the second technique, to identify the reactive, volatile sulfur compounds formed on cutting the plants, and the third technique, to identify members of families of polysulfides  found in the distilled oil of garlic.},\n\tnumber = {3},\n\tjournal = {Pure and Applied Chemistry},\n\tauthor = {Block, E. and Cody, R.B. and Dane, A.J. and Sheridan, R. and Vattekkatte, A. and Wang, K.},\n\tyear = {2010},\n\tkeywords = {direct analysis in real time; garlic; mass spectrometry; onion; sulfur compounds; ultra-performance liquid chromatography; X-ray fluorescence spectroscopy, AccuTOF},\n\tpages = {535--539},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Three different instrumental methods have been used to examine the organosulfur chemistry of intact and cut garlic and onions: X-ray fluorescence spectroscopic imaging (XFS), direct analysis in real time (DART) mass spec-trometry, and ultra-performance liquid chromatography-(Ag+)-coordination ion spray mass spectrometry (UPLC–(Ag+)CIS–MS). The first technique has been used to map the location of different chemical forms of sulfur in intact and damaged onion cells, the second technique, to identify the reactive, volatile sulfur compounds formed on cutting the plants, and the third technique, to identify members of families of polysulfides found in the distilled oil of garlic.\n
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\n \n\n \n \n \n \n \n \n Transmission-mode direct analysis in real time and desorption electrospray ionization mass spectrometry of insecticide-treated bednets for malaria control.\n \n \n \n \n\n\n \n Perez, J. J.; Harris, G. A.; Chipuk, J. E.; Brodbelt, J. S.; Green, M. D.; Hampton, C. Y.; and Fernandez, F. M.\n\n\n \n\n\n\n Analyst, 135(4): 712–719. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"Transmission-modePaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{perez_transmission-mode_2010,\n\ttitle = {Transmission-mode direct analysis in real time and desorption electrospray ionization mass spectrometry of insecticide-treated bednets for malaria control},\n\tvolume = {135},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/B924533B},\n\tabstract = {Transmission-mode direct analysis in real time (TM-DART) is presented as an alternative sampling strategy to traditional methods of sample introduction for DART MS analysis. A custom-designed sample holder was fabricated to rapidly and reproducibly position insecticide-treated nets normal to the ionizing metastable gas stream, enabling transmission of desorbed analyte ions through the holder cavity and into the MS. Introduction of the sample at this fixed geometry eliminates the need for optimizing sample position and allows spectra based on factors such as metastable gas temperature and flow to be systematically evaluated. The results presented here, supported by computational fluid dynamic simulations, demonstrate the effects of these factors on the resulting mass spectra and the potential of this sampling strategy to be used for qualitative and quantitative analyses. Transmission-mode desorption electrospray ionization (TM-DESI) experiments on similar insecticide-treated nets were performed for comparison purposes.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Perez, Jose J. and Harris, Glenn A. and Chipuk, Joseph E. and Brodbelt, Jennifer S. and Green, Michael D. and Hampton, Christina Y. and Fernandez, Facundo M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {712--719},\n}\n\n\n\n
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\n Transmission-mode direct analysis in real time (TM-DART) is presented as an alternative sampling strategy to traditional methods of sample introduction for DART MS analysis. A custom-designed sample holder was fabricated to rapidly and reproducibly position insecticide-treated nets normal to the ionizing metastable gas stream, enabling transmission of desorbed analyte ions through the holder cavity and into the MS. Introduction of the sample at this fixed geometry eliminates the need for optimizing sample position and allows spectra based on factors such as metastable gas temperature and flow to be systematically evaluated. The results presented here, supported by computational fluid dynamic simulations, demonstrate the effects of these factors on the resulting mass spectra and the potential of this sampling strategy to be used for qualitative and quantitative analyses. Transmission-mode desorption electrospray ionization (TM-DESI) experiments on similar insecticide-treated nets were performed for comparison purposes.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of additives in poly(vinyl chloride) lid gaskets by direct analysis in real time ionisation and single-quadrupole mass spectrometry.\n \n \n \n \n\n\n \n Rothenbacher, T.; and Schwack, W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(1): 21–29. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{rothenbacher_rapid_2010,\n\ttitle = {Rapid identification of additives in poly(vinyl chloride) lid gaskets by direct analysis in real time ionisation and single-quadrupole mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4350},\n\tdoi = {10.1002/rcm.4350},\n\tabstract = {Gaskets for lids of glass jars usually consist of poly(vinyl chloride) (PVC) containing plasticisers and additional additives, which may migrate into packed foodstuffs. To conform to legal regulations, any such migration has to be determined analytically, which is a big challenge due to the huge chemical variety of additives in use. Therefore, a rapid screening method by means of direct analysis in real time mass spectrometry (DART-MS), using a single-quadrupole mass spectrometer, was developed. On introducing a plastisol sample into the DART interface, protonated molecules and ammonium adducts were obtained as the typical ionisation products of any additives present, and cleavages of ester bonds as typical fragmentation processes. Generally, additives present in the 1\\% range could be directly and easily identified if ion suppressive effects deriving from specific molecules did not occur. These effects could be avoided by analysing toluene extracts of plastisol samples, and this also improved the sensivity. Using this method, it was possible to identify phthalates, fatty acid amides, tributyl O-acetylcitrate, dibutyl sebacate, bis(2-ethylhexyl) adipate, 1,2-diisononyl 1,2-cyclohexanedicarboxylate, and even more complex additives like acetylated mono- and diacylglycerides, epoxidised soybean oil, and polyadipates, with a limit of detection of ≤1\\% in PVC plastisols. Only in the case of epoxidised linseed oil were levels of ≥5\\% required for identification. The detection of azodicarbonamide, used as a foaming agent within the manufacturing process, was possible in principle, but was not highly reproducible due to the very low concentrations in plastisols. Copyright © 2009 John Wiley \\& Sons, Ltd.},\n\tnumber = {1},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rothenbacher, Thorsten and Schwack, Wolfgang},\n\tyear = {2010},\n\tkeywords = {Agilent Quad},\n\tpages = {21--29},\n}\n\n\n\n
\n
\n\n\n
\n Gaskets for lids of glass jars usually consist of poly(vinyl chloride) (PVC) containing plasticisers and additional additives, which may migrate into packed foodstuffs. To conform to legal regulations, any such migration has to be determined analytically, which is a big challenge due to the huge chemical variety of additives in use. Therefore, a rapid screening method by means of direct analysis in real time mass spectrometry (DART-MS), using a single-quadrupole mass spectrometer, was developed. On introducing a plastisol sample into the DART interface, protonated molecules and ammonium adducts were obtained as the typical ionisation products of any additives present, and cleavages of ester bonds as typical fragmentation processes. Generally, additives present in the 1% range could be directly and easily identified if ion suppressive effects deriving from specific molecules did not occur. These effects could be avoided by analysing toluene extracts of plastisol samples, and this also improved the sensivity. Using this method, it was possible to identify phthalates, fatty acid amides, tributyl O-acetylcitrate, dibutyl sebacate, bis(2-ethylhexyl) adipate, 1,2-diisononyl 1,2-cyclohexanedicarboxylate, and even more complex additives like acetylated mono- and diacylglycerides, epoxidised soybean oil, and polyadipates, with a limit of detection of ≤1% in PVC plastisols. Only in the case of epoxidised linseed oil were levels of ≥5% required for identification. The detection of azodicarbonamide, used as a foaming agent within the manufacturing process, was possible in principle, but was not highly reproducible due to the very low concentrations in plastisols. Copyright © 2009 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n A Rapid Technique for the Confirmation of Iodine and Red Phosphorus Using Direct Analysis in Real Time and Accurate Mass Spectrometry.\n \n \n \n\n\n \n Steiner, R. R\n\n\n \n\n\n\n Microgram J, 7(1): 3–6. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{steiner_rapid_2010,\n\ttitle = {A {Rapid} {Technique} for the {Confirmation} of {Iodine} and {Red} {Phosphorus} {Using} {Direct} {Analysis} in {Real} {Time} and {Accurate} {Mass} {Spectrometry}},\n\tvolume = {7},\n\tabstract = {Iodine and red phosphorus are chemicals commonly seen in clandestine methamphetamine laboratories. Current analytical methods used for the confirmation of these chemicals include FTIR and GC/MS, usually after a derivatization or reaction with other compounds. X-ray diffraction and scanning electron microscope-energy dispersive x-ray analysis are also used to confirm these chemicals, but all of these techniques tend to be time-consuming or produce poisonous products. A novel technique, using the JEOL-IonSense AccuTOF-DART system, has been developed which yields accurate mass spectra usually in less than ten minutes of analysis time, with no sample preparation.},\n\tnumber = {1},\n\tjournal = {Microgram J},\n\tauthor = {Steiner, Robert R},\n\tyear = {2010},\n\tpages = {3--6},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Iodine and red phosphorus are chemicals commonly seen in clandestine methamphetamine laboratories. Current analytical methods used for the confirmation of these chemicals include FTIR and GC/MS, usually after a derivatization or reaction with other compounds. X-ray diffraction and scanning electron microscope-energy dispersive x-ray analysis are also used to confirm these chemicals, but all of these techniques tend to be time-consuming or produce poisonous products. A novel technique, using the JEOL-IonSense AccuTOF-DART system, has been developed which yields accurate mass spectra usually in less than ten minutes of analysis time, with no sample preparation.\n
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\n \n\n \n \n \n \n \n \n Ricin Activity Assay by Direct Analysis in Real Time Mass Spectrometry Detection of Adenine Release.\n \n \n \n \n\n\n \n Bevilacqua, V. L. H.; Nilles, J. M.; Rice, J. S.; Connell, T. R.; Schenning, A. M.; Reilly, L. M.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 82(3): 798–800. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RicinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{bevilacqua_ricin_2010,\n\ttitle = {Ricin {Activity} {Assay} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} {Detection} of {Adenine} {Release}},\n\tvolume = {82},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac9025972},\n\tdoi = {10.1021/ac9025972},\n\tabstract = {Biotoxin activity assays typically involve multistep sample preparation, multicomponent reactions, multistep analysis, or a combination thereof. We report a single-step, real-time ricin activity assay that requires little or no sample preparation and employs direct analysis in real time mass spectrometry. The release of adenine from the inhomogeneous substrate herring sperm DNA by ricin was determined to be 53 ± 2 pmol adenine per picomole of ricin per hour. This procedure can be readily adapted to any enzyme for which a reactant or product of low molecular weight (up to ∼600) can be identified.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Bevilacqua, Vicky L. H. and Nilles, J. Michael and Rice, Jeffrey S. and Connell, Theresa R. and Schenning, Amanda M. and Reilly, Lisa M. and Durst, H. Dupont},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {798--800},\n}\n\n\n\n
\n
\n\n\n
\n Biotoxin activity assays typically involve multistep sample preparation, multicomponent reactions, multistep analysis, or a combination thereof. We report a single-step, real-time ricin activity assay that requires little or no sample preparation and employs direct analysis in real time mass spectrometry. The release of adenine from the inhomogeneous substrate herring sperm DNA by ricin was determined to be 53 ± 2 pmol adenine per picomole of ricin per hour. This procedure can be readily adapted to any enzyme for which a reactant or product of low molecular weight (up to ∼600) can be identified.\n
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\n \n\n \n \n \n \n \n \n Small Molecule Ambient Mass Spectrometry Imaging by Infrared Laser Ablation Metastable-Induced Chemical Ionization.\n \n \n \n \n\n\n \n Galhena, A. S.; Harris, G. A.; Nyadong, L.; Murray, K. K.; and Fernández, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 82(6): 2178–2181. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"SmallPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{galhena_small_2010,\n\ttitle = {Small {Molecule} {Ambient} {Mass} {Spectrometry} {Imaging} by {Infrared} {Laser} {Ablation} {Metastable}-{Induced} {Chemical} {Ionization}},\n\tvolume = {82},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac902905v},\n\tdoi = {10.1021/ac902905v},\n\tabstract = {Presented here is a novel ambient ion source termed infrared laser ablation metastable-induced chemical ionization (IR-LAMICI). IR-LAMICI integrates IR laser ablation and direct analysis in real time (DART)-type metastable-induced chemical ionization for open air mass spectrometry (MS) ionization. The ion generation in the IR-LAMICI source is a two step process. First, IR laser pulses impinge the sample surface ablating surface material. Second, a portion of ablated material reacts with the metastable reactive plume facilitating gas-phase chemical ionization of analyte molecules generating protonated or deprotonated species in positive and negative ion modes, respectively. The successful coupling of IR-laser ablation with metastable-induced chemical ionization resulted in an ambient plasma-based spatially resolved small molecule imaging platform for mass spectrometry (MS). The analytical capabilities of IR-LAMICI are explored by imaging pharmaceutical tablets, screening counterfeit drugs, and probing algal tissue surfaces for natural products. The resolution of a chemical image is determined by the crater size produced with each laser pulse but not by the size of the metastable gas jet. The detection limits for an active pharmaceutical ingredient (acetaminophen) using the IR-LAMICI source is calculated to be low picograms. Furthermore, three-dimensional computational fluid dynamic simulations showed improvements in the IR-LAMICI ion source are possible.},\n\tnumber = {6},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Galhena, Asiri S. and Harris, Glenn A. and Nyadong, Leonard and Murray, Kermit K. and Fernández, Facundo M.},\n\tyear = {2010},\n\tkeywords = {Thermo Ion Trap},\n\tpages = {2178--2181},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Presented here is a novel ambient ion source termed infrared laser ablation metastable-induced chemical ionization (IR-LAMICI). IR-LAMICI integrates IR laser ablation and direct analysis in real time (DART)-type metastable-induced chemical ionization for open air mass spectrometry (MS) ionization. The ion generation in the IR-LAMICI source is a two step process. First, IR laser pulses impinge the sample surface ablating surface material. Second, a portion of ablated material reacts with the metastable reactive plume facilitating gas-phase chemical ionization of analyte molecules generating protonated or deprotonated species in positive and negative ion modes, respectively. The successful coupling of IR-laser ablation with metastable-induced chemical ionization resulted in an ambient plasma-based spatially resolved small molecule imaging platform for mass spectrometry (MS). The analytical capabilities of IR-LAMICI are explored by imaging pharmaceutical tablets, screening counterfeit drugs, and probing algal tissue surfaces for natural products. The resolution of a chemical image is determined by the crater size produced with each laser pulse but not by the size of the metastable gas jet. The detection limits for an active pharmaceutical ingredient (acetaminophen) using the IR-LAMICI source is calculated to be low picograms. Furthermore, three-dimensional computational fluid dynamic simulations showed improvements in the IR-LAMICI ion source are possible.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of stabilisers in polypropylene using time-of-flight mass spectrometry and DART as ion source.\n \n \n \n \n\n\n \n Haunschmidt, M.; Klampfl, C. W.; Buchberger, W.; and Hertsens, R.\n\n\n \n\n\n\n The Analyst, 135(1): 80. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_rapid_2010,\n\ttitle = {Rapid identification of stabilisers in polypropylene using time-of-flight mass spectrometry and {DART} as ion source},\n\tvolume = {135},\n\tissn = {0003-2654, 1364-5528},\n\turl = {http://xlink.rsc.org/?DOI=b911040b},\n\tdoi = {10.1039/b911040b},\n\tabstract = {A method for analysing plastic samples without any sample pretreatment using direct analysis in real time mass spectrometry (DART-MS) was developed. DART-MS allows the direct, simple and rapid identification of polymer additives in plastic products. To demonstrate the suitability of DART-MS for the detection of a wide range of commonly employed stabilising agents, a test set of 21 stabilisers was selected. In a first step standard solutions of these stabilisers in toluene as well as toluene-extracts from polymer samples were analysed. Subsequently, to prove the applicability of the developed DART-MS method also for the direct analysis of plastic products, samples of polypropylene containing a range of stabilisers were prepared using a lab-scale compounder. Polymer samples were cut into 0.5 cm wide pieces and directly placed into the DART ion source. Focusing on the DART ionisation, several parameters like discharge needle potential, potential of the grid electrode and the discharge electrode, the heater temperature and the gas flow had to be varied to guarantee optimum results. Both positive and negative ionisation was tested, whereby the positive ion mode led to higher signal intensities for all analytes. Determination of accurate masses to improve the certainty in signal assignment could be achieved by using PEG 600 as an internal standard for mass calibration. The developed method allowed the detection of all selected additives (including some of their degradation products) in real polymer samples.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {The Analyst},\n\tauthor = {Haunschmidt, Manuela and Klampfl, Christian W. and Buchberger, Wolfgang and Hertsens, Robert},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {80},\n}\n\n\n\n
\n
\n\n\n
\n A method for analysing plastic samples without any sample pretreatment using direct analysis in real time mass spectrometry (DART-MS) was developed. DART-MS allows the direct, simple and rapid identification of polymer additives in plastic products. To demonstrate the suitability of DART-MS for the detection of a wide range of commonly employed stabilising agents, a test set of 21 stabilisers was selected. In a first step standard solutions of these stabilisers in toluene as well as toluene-extracts from polymer samples were analysed. Subsequently, to prove the applicability of the developed DART-MS method also for the direct analysis of plastic products, samples of polypropylene containing a range of stabilisers were prepared using a lab-scale compounder. Polymer samples were cut into 0.5 cm wide pieces and directly placed into the DART ion source. Focusing on the DART ionisation, several parameters like discharge needle potential, potential of the grid electrode and the discharge electrode, the heater temperature and the gas flow had to be varied to guarantee optimum results. Both positive and negative ionisation was tested, whereby the positive ion mode led to higher signal intensities for all analytes. Determination of accurate masses to improve the certainty in signal assignment could be achieved by using PEG 600 as an internal standard for mass calibration. The developed method allowed the detection of all selected additives (including some of their degradation products) in real polymer samples.\n
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\n \n\n \n \n \n \n \n \n The coupling of direct analysis in real time ionization to Fourier transform ion cyclotron resonance mass spectrometry for ultrahigh-resolution mass analysis.\n \n \n \n \n\n\n \n Rummel, J. L.; McKenna, A. M.; Marshall, A. G.; Eyler, J. R.; and Powell, D. H.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(6): 784–790. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{rummel_coupling_2010,\n\ttitle = {The coupling of direct analysis in real time ionization to {Fourier} transform ion cyclotron resonance mass spectrometry for ultrahigh-resolution mass analysis},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4450},\n\tdoi = {10.1002/rcm.4450},\n\tabstract = {Direct Analysis in Real Time (DART) is an ambient ionization technique for mass spectrometry that provides rapid and sensitive analyses with little or no sample preparation. DART has been reported primarily for mass analyzers of low to moderate resolving power such as quadrupole ion traps and time-of-flight (TOF) mass spectrometers. In the current work, a custom-built DART source has been successfully coupled to two different Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers for the first time. Comparison of spectra of the isobaric compounds, diisopropyl methylphosphonate and theophylline, acquired by 4.7 T FT-ICR MS and TOF MS, demonstrates that the TOF resolving power can be insufficient for compositionally complex samples. 9.4 T FT-ICR MS yielded the highest mass resolving power yet reported with DART ionization for 1,2-benzanthracene and 9,10-diphenylanthracene. Polycyclic aromatic hydrocarbons exhibit a spatial dependence in ionization mechanisms between the DART source and the mass spectrometer. The feasibility of analyzing a variety of samples was established with the introduction and analysis of food products and crude oil samples. DART FT-ICR MS provides complex sample analysis that is rapid, highly selective and information-rich, but limited to relatively low-mass analytes. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {6},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rummel, Julia L. and McKenna, Amy M. and Marshall, Alan G. and Eyler, John R. and Powell, David H.},\n\tyear = {2010},\n\tkeywords = {FT-ICR},\n\tpages = {784--790},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART) is an ambient ionization technique for mass spectrometry that provides rapid and sensitive analyses with little or no sample preparation. DART has been reported primarily for mass analyzers of low to moderate resolving power such as quadrupole ion traps and time-of-flight (TOF) mass spectrometers. In the current work, a custom-built DART source has been successfully coupled to two different Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers for the first time. Comparison of spectra of the isobaric compounds, diisopropyl methylphosphonate and theophylline, acquired by 4.7 T FT-ICR MS and TOF MS, demonstrates that the TOF resolving power can be insufficient for compositionally complex samples. 9.4 T FT-ICR MS yielded the highest mass resolving power yet reported with DART ionization for 1,2-benzanthracene and 9,10-diphenylanthracene. Polycyclic aromatic hydrocarbons exhibit a spatial dependence in ionization mechanisms between the DART source and the mass spectrometer. The feasibility of analyzing a variety of samples was established with the introduction and analysis of food products and crude oil samples. DART FT-ICR MS provides complex sample analysis that is rapid, highly selective and information-rich, but limited to relatively low-mass analytes. Copyright © 2010 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Identification of marker compounds in herbal drugs on TLC with DART-MS.\n \n \n \n \n\n\n \n Kim, H. J.; Jee, E. H.; Ahn, K. S.; Choi, H. S.; and Jang, Y. P.\n\n\n \n\n\n\n Archives of Pharmacal Research, 33(9): 1355–1359. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_identification_2010,\n\ttitle = {Identification of marker compounds in herbal drugs on {TLC} with {DART}-{MS}},\n\tvolume = {33},\n\tissn = {0253-6269, 1976-3786},\n\turl = {http://www.springerlink.com/index/10.1007/s12272-010-0909-7},\n\tdoi = {10.1007/s12272-010-0909-7},\n\tabstract = {This study was conducted to provide a more versatile and specific information on Thin Layer Chromatographic (TLC) analysis of medicinal plants. TLC plates developed with the extract of herbal medicines were analyzed with direct analysis in real time (DART) ion source. Three well known herbal drugs were extracted and developed on a silica-coated TLC plate with the conditions pre-established in Korean Pharmacopoeia IX. The developed plate was placed between the DART ion source and TOF-MS analyzer to get real time mass spectra from the bands on the TLC plate directly. The marker coumarin compounds, decursin and decursinol were successfully identified from the TLC plate developed with Angelicae gigantis radix, along with alkaloid compounds of rutaecarpine and evodiamine from Evodiae fructus, and lignan molecules of gomisin A, N, and schisandrin from Schisandrae fructus. This hyphenation system of TLC and DART-MS could provide unique and specific information on the major constituents of crude plant drug on TLC through uncovering high resolution mass number of each band on the TLC plate directly in real time.},\n\tnumber = {9},\n\turldate = {2012-04-18},\n\tjournal = {Archives of Pharmacal Research},\n\tauthor = {Kim, Hye Jin and Jee, Eun Hye and Ahn, Kwang Sung and Choi, Hyo Sook and Jang, Young Pyo},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1355--1359},\n}\n\n\n\n
\n
\n\n\n
\n This study was conducted to provide a more versatile and specific information on Thin Layer Chromatographic (TLC) analysis of medicinal plants. TLC plates developed with the extract of herbal medicines were analyzed with direct analysis in real time (DART) ion source. Three well known herbal drugs were extracted and developed on a silica-coated TLC plate with the conditions pre-established in Korean Pharmacopoeia IX. The developed plate was placed between the DART ion source and TOF-MS analyzer to get real time mass spectra from the bands on the TLC plate directly. The marker coumarin compounds, decursin and decursinol were successfully identified from the TLC plate developed with Angelicae gigantis radix, along with alkaloid compounds of rutaecarpine and evodiamine from Evodiae fructus, and lignan molecules of gomisin A, N, and schisandrin from Schisandrae fructus. This hyphenation system of TLC and DART-MS could provide unique and specific information on the major constituents of crude plant drug on TLC through uncovering high resolution mass number of each band on the TLC plate directly in real time.\n
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\n \n\n \n \n \n \n \n \n Optimization of a direct analysis in real time/time-of-flight mass spectrometry method for rapid serum metabolomic fingerprinting.\n \n \n \n \n\n\n \n Zhou, M.; McDonald, J. F.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(1): 68–75. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhou_optimization_2010,\n\ttitle = {Optimization of a direct analysis in real time/time-of-flight mass spectrometry method for rapid serum metabolomic fingerprinting},\n\tvolume = {21},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://www.springerlink.com/index/10.1016/j.jasms.2009.09.004},\n\tdoi = {10.1016/j.jasms.2009.09.004},\n\tabstract = {Metabolomic fingerprinting of bodily fluids can reveal the underlying causes of metabolic disorders associated with many diseases, and has thus been recognized as a potential tool for disease diagnosis and prognosis following therapy. Here we report a rapid approach in which direct analysis in real time (DART) coupled with time-of-flight (TOF) mass spectrometry (MS) and hybrid quadrupole TOF (Q-TOF) MS is used as a means for metabolomic fingerprinting of human serum. In this approach, serum samples are first treated to precipitate proteins, and the volatility of the remaining metabolites increased by derivatization, followed by DART MS analysis. Maximum DART MS performance was obtained by optimizing instrumental parameters such as ionizing gas temperature and flow rate for the analysis of identical aliquots of a healthy human serum samples. These variables were observed to have a significant effect on the overall mass range of the metabolites detected as well as the signal-to-noise ratios in DART mass spectra. Each DART run requires only 1.2 min, during which more than 1500 different spectral features are observed in a time-dependent fashion. A repeatability of 4.1\\% to 4.5\\% was obtained for the total ion signal using a manual sampling arm. With the appealing features of high-throughput, lack of memory effects, and simplicity, DART MS has shown potential to become an invaluable tool for metabolomic fingerprinting.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Zhou, Manshui and McDonald, John F. and Fernández, Facundo M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {68--75},\n}\n\n\n\n
\n
\n\n\n
\n Metabolomic fingerprinting of bodily fluids can reveal the underlying causes of metabolic disorders associated with many diseases, and has thus been recognized as a potential tool for disease diagnosis and prognosis following therapy. Here we report a rapid approach in which direct analysis in real time (DART) coupled with time-of-flight (TOF) mass spectrometry (MS) and hybrid quadrupole TOF (Q-TOF) MS is used as a means for metabolomic fingerprinting of human serum. In this approach, serum samples are first treated to precipitate proteins, and the volatility of the remaining metabolites increased by derivatization, followed by DART MS analysis. Maximum DART MS performance was obtained by optimizing instrumental parameters such as ionizing gas temperature and flow rate for the analysis of identical aliquots of a healthy human serum samples. These variables were observed to have a significant effect on the overall mass range of the metabolites detected as well as the signal-to-noise ratios in DART mass spectra. Each DART run requires only 1.2 min, during which more than 1500 different spectral features are observed in a time-dependent fashion. A repeatability of 4.1% to 4.5% was obtained for the total ion signal using a manual sampling arm. With the appealing features of high-throughput, lack of memory effects, and simplicity, DART MS has shown potential to become an invaluable tool for metabolomic fingerprinting.\n
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\n \n\n \n \n \n \n \n \n Explosives Detection Using Direct Analysis in Real Time (DART) Mass Spectrometry.\n \n \n \n \n\n\n \n Nilles, J. M.; Connell, T. R.; Stokes, S. T.; and Dupont Durst, H.\n\n\n \n\n\n\n Propellants, Explosives, Pyrotechnics, 35(5): 446–451. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ExplosivesPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nilles_explosives_2010,\n\ttitle = {Explosives {Detection} {Using} {Direct} {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry}},\n\tvolume = {35},\n\tissn = {07213115},\n\turl = {http://doi.wiley.com/10.1002/prep.200900084},\n\tdoi = {10.1002/prep.200900084},\n\tabstract = {The growing use of explosives by terrorists and criminals creates a need for instrumentation which can rapidly analyze these energetic compounds, preferably on site. Direct analysis in real time (DART) is a promising technology for surface analysis with little or no sample preparation. Therefore, DART ionization is evaluated for use in detecting explosives on solid substrates and in liquid matrices. Fifteen explosives were chosen as a consequence of their common usage. Five surfaces were chosen to represent a wide range of physical properties such as composition, porosity, surface morphology, and thermal and electrical conductivity. Additionally these surfaces are commonly found in everyday surroundings. All 75 compound-surface combinations produced a clear, easily identifiable, mass spectra characteristic of the targeted analyte. Simultaneous detection of five explosives is demonstrated on these same surfaces. Lastly, rapid detection of trace contamination in common fluids is also explored.},\n\tnumber = {5},\n\turldate = {2012-04-18},\n\tjournal = {Propellants, Explosives, Pyrotechnics},\n\tauthor = {Nilles, J. Michael and Connell, Theresa R. and Stokes, Sarah T. and Dupont Durst, H.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {446--451},\n}\n\n\n\n
\n
\n\n\n
\n The growing use of explosives by terrorists and criminals creates a need for instrumentation which can rapidly analyze these energetic compounds, preferably on site. Direct analysis in real time (DART) is a promising technology for surface analysis with little or no sample preparation. Therefore, DART ionization is evaluated for use in detecting explosives on solid substrates and in liquid matrices. Fifteen explosives were chosen as a consequence of their common usage. Five surfaces were chosen to represent a wide range of physical properties such as composition, porosity, surface morphology, and thermal and electrical conductivity. Additionally these surfaces are commonly found in everyday surroundings. All 75 compound-surface combinations produced a clear, easily identifiable, mass spectra characteristic of the targeted analyte. Simultaneous detection of five explosives is demonstrated on these same surfaces. Lastly, rapid detection of trace contamination in common fluids is also explored.\n
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\n \n\n \n \n \n \n \n \n Ambient Pressure Desorption Ionization Mass Spectrometry in Support of Preclinical Pharmaceutical Development.\n \n \n \n \n\n\n \n Helmy, R.; Schafer, W.; Buhler, L.; Marcinko, S.; Musselman, B.; Guidry, E.; Jenkins, H.; Fleitz, F.; and Welch, C. J.\n\n\n \n\n\n\n Organic Process Research & Development, 14(2): 386–392. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{helmy_ambient_2010,\n\ttitle = {Ambient {Pressure} {Desorption} {Ionization} {Mass} {Spectrometry} in {Support} of {Preclinical} {Pharmaceutical} {Development}},\n\tvolume = {14},\n\tissn = {1083-6160, 1520-586X},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/op9002938},\n\tdoi = {10.1021/op9002938},\n\tabstract = {The use of ambient pressure desorption ionization mass spectrometry for the rapid analytical support of process and pharmaceutical development is demonstrated. The ability of direct analysis in real time (DART) technology to analyze both active pharmaceutical ingredients (APIs) and intermediates without sample preparation or the development of LC-based separations provided critical experimental results with minimal time required for method development. The utility and versatility of DART is shown for applications such as degradation studies, analysis of high-throughput catalyst screens, preparative-scale chromatography fractions, and impurity determination.},\n\tnumber = {2},\n\turldate = {2012-04-18},\n\tjournal = {Organic Process Research \\& Development},\n\tauthor = {Helmy, Roy and Schafer, Wes and Buhler, Leah and Marcinko, Stephen and Musselman, Brian and Guidry, Erin and Jenkins, Herb and Fleitz, Fred and Welch, Christopher J.},\n\tyear = {2010},\n\tkeywords = {Thermo LTQ},\n\tpages = {386--392},\n}\n\n\n\n
\n
\n\n\n
\n The use of ambient pressure desorption ionization mass spectrometry for the rapid analytical support of process and pharmaceutical development is demonstrated. The ability of direct analysis in real time (DART) technology to analyze both active pharmaceutical ingredients (APIs) and intermediates without sample preparation or the development of LC-based separations provided critical experimental results with minimal time required for method development. The utility and versatility of DART is shown for applications such as degradation studies, analysis of high-throughput catalyst screens, preparative-scale chromatography fractions, and impurity determination.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry: a fast screening of solid pharmaceuticals for the presence of an active ingredient, as an alternative for IR spectroscopy.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Bochkov, P. O.; Ovcharov, M. V.; Zhokhov, S. S.; and Abramovich, R. A.\n\n\n \n\n\n\n Drug Testing and Analysis, 2(6): 292–294. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_dart_2010,\n\ttitle = {{DART} mass spectrometry: a fast screening of solid pharmaceuticals for the presence of an active ingredient, as an alternative for {IR} spectroscopy},\n\tvolume = {2},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.136},\n\tdoi = {10.1002/dta.136},\n\tabstract = {The application of DART as a choice analytical tool for rapid analysis of counterfeit pharmaceuticals is discussed. DART technology shows considerable promise for rapid, ‘investigator friendly’ studies of ingredients contained within pharmaceuticals. Its user friendly approach renders it as an attractive, rapid, labour saving tool in comparison to its traditional IR counterpart.},\n\tnumber = {6},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Chernetsova, Elena S. and Bochkov, Pavel O. and Ovcharov, Maxim V. and Zhokhov, Sergey S. and Abramovich, Rimma A.},\n\tyear = {2010},\n\tpages = {292--294},\n}\n\n\n\n
\n
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\n The application of DART as a choice analytical tool for rapid analysis of counterfeit pharmaceuticals is discussed. DART technology shows considerable promise for rapid, ‘investigator friendly’ studies of ingredients contained within pharmaceuticals. Its user friendly approach renders it as an attractive, rapid, labour saving tool in comparison to its traditional IR counterpart.\n
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\n \n\n \n \n \n \n \n \n Analysis of multiple mycotoxins in beer employing (ultra)-high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Zachariasova, M.; Cajka, T.; Godula, M.; Malachova, A.; Veprikova, Z.; and Hajslova, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(22): 3357–3367. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zachariasova_analysis_2010,\n\ttitle = {Analysis of multiple mycotoxins in beer employing (ultra)-high-resolution mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4746},\n\tdoi = {10.1002/rcm.4746},\n\tabstract = {The objective of the presented study was to develop and optimize a simple, high-throughput method for the control of 32 mycotoxins (Fusarium and Alternaria toxins, aflatoxins, ergot alkaloids, ochratoxins, and sterigmatocystin) in beer. Due to the broad range of their physicochemical properties, the sample preparation step was simplified as much as possible to avoid analyte losses. The addition of acetonitrile to beer samples enabled precipitation of abundant matrix components. The clean-up efficiency was controlled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source. For determination of analytes, ultra-high-performance liquid chromatography hyphenated with high-resolution mass spectrometry utilizing an orbitrap (U-HPLC–orbitrapMS) or time-of-flight (TOFMS) technology was used. Because of significantly better detection capabilities of the orbitrap technology, the U-HPLC–orbitrapMS method was chosen as a determinative step and fully validated. To compensate matrix effects, matrix-matched calibration was employed. The lowest calibration levels for most of the target mycotoxins ranged from 1 to 8 µg L−1 beer and the recoveries of analytes were in range from 86 to 124\\%. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {22},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Zachariasova, Milena and Cajka, Tomas and Godula, Michal and Malachova, Alexandra and Veprikova, Zdenka and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Orbitrap},\n\tpages = {3357--3367},\n}\n\n\n\n
\n
\n\n\n
\n The objective of the presented study was to develop and optimize a simple, high-throughput method for the control of 32 mycotoxins (Fusarium and Alternaria toxins, aflatoxins, ergot alkaloids, ochratoxins, and sterigmatocystin) in beer. Due to the broad range of their physicochemical properties, the sample preparation step was simplified as much as possible to avoid analyte losses. The addition of acetonitrile to beer samples enabled precipitation of abundant matrix components. The clean-up efficiency was controlled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source. For determination of analytes, ultra-high-performance liquid chromatography hyphenated with high-resolution mass spectrometry utilizing an orbitrap (U-HPLC–orbitrapMS) or time-of-flight (TOFMS) technology was used. Because of significantly better detection capabilities of the orbitrap technology, the U-HPLC–orbitrapMS method was chosen as a determinative step and fully validated. To compensate matrix effects, matrix-matched calibration was employed. The lowest calibration levels for most of the target mycotoxins ranged from 1 to 8 µg L−1 beer and the recoveries of analytes were in range from 86 to 124%. Copyright © 2010 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry: advances and applications in forensics.\n \n \n \n \n\n\n \n Green, F. M.; Salter, T. L.; Stokes, P.; Gilmore, I. S.; and O'Connor, G.\n\n\n \n\n\n\n Surface and Interface Analysis, 42(5): 347–357. May 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{green_ambient_2010,\n\ttitle = {Ambient mass spectrometry: advances and applications in forensics},\n\tvolume = {42},\n\tissn = {01422421, 10969918},\n\tshorttitle = {Ambient mass spectrometry},\n\turl = {http://doi.wiley.com/10.1002/sia.3131},\n\tdoi = {10.1002/sia.3131},\n\tlanguage = {en},\n\tnumber = {5},\n\turldate = {2016-01-29},\n\tjournal = {Surface and Interface Analysis},\n\tauthor = {Green, F. M. and Salter, T. L. and Stokes, P. and Gilmore, I. S. and O'Connor, G.},\n\tmonth = may,\n\tyear = {2010},\n\tpages = {347--357},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Identification of Glycyrrhiza species by direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Fukuda, E.; Baba, M.; Iwasaki, N.; Uesawa, Y.; Arifuku, K.; Kamoe, O.; Tsubono, K.; and Okada, Y.\n\n\n \n\n\n\n Natural product communications, 5(11): 1755–1758. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fukuda_identification_2010,\n\ttitle = {Identification of {Glycyrrhiza} species by direct analysis in real time mass spectrometry.},\n\tvolume = {5},\n\tabstract = {DART (Direct Analysis in Real Time)-MS is a novel mass spectrometric ion source, and allows the analysis of most compounds at ambient pressure and ground potential by producing [M+H]+ molecular ion species. Using this method, we examined the compounds characteristic of several kinds of licorices. For the analysis of Glycyrrhiza inflata Batalin, the peak at m/z 339 originates mainly from [M+H]+ of licochalcone A (LA), a species-specific compound. This peak was hardly detected in G. glabra Linné and G. uralensis Fischer. These results indicate that G. inflata can be differentiated from the other two species by detection of LA peaks using DART-MS analysis.},\n\tnumber = {11},\n\tjournal = {Natural product communications},\n\tauthor = {Fukuda, Eriko and Baba, Masaki and Iwasaki, Noriaki and Uesawa, Yoshihiro and Arifuku, Kazunori and Kamoe, Osamu and Tsubono, Koji and Okada, Yoshihito},\n\tyear = {2010},\n\tpages = {1755--1758},\n}\n\n\n\n
\n
\n\n\n
\n DART (Direct Analysis in Real Time)-MS is a novel mass spectrometric ion source, and allows the analysis of most compounds at ambient pressure and ground potential by producing [M+H]+ molecular ion species. Using this method, we examined the compounds characteristic of several kinds of licorices. For the analysis of Glycyrrhiza inflata Batalin, the peak at m/z 339 originates mainly from [M+H]+ of licochalcone A (LA), a species-specific compound. This peak was hardly detected in G. glabra Linné and G. uralensis Fischer. These results indicate that G. inflata can be differentiated from the other two species by detection of LA peaks using DART-MS analysis.\n
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\n \n\n \n \n \n \n \n \n Molecular Analysis of Primary Vapor and Char Products during Stepwise Pyrolysis of Poplar Biomass.\n \n \n \n \n\n\n \n Jones, R. W.; Reinot, T.; and McClelland, J. F.\n\n\n \n\n\n\n Energy & Fuels, 24(9): 5199–5209. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"MolecularPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{jones_molecular_2010,\n\ttitle = {Molecular {Analysis} of {Primary} {Vapor} and {Char} {Products} during {Stepwise} {Pyrolysis} of {Poplar} {Biomass}},\n\tvolume = {24},\n\turl = {http://dx.doi.org/10.1021/ef100655n},\n\tdoi = {10.1021/ef100655n},\n\tabstract = {Pyrolysis of biomass produces both pyrolysis oil and solid char. In this study, poplar has been pyrolyzed in a stepwise fashion over a series of temperatures from 200 to 500 °C, and both the primary products contributing to pyrolysis oil and the changes in the pyrolyzing poplar surface leading toward char have been characterized at each step. The primary products were identified by direct analysis in real time (DART) mass spectrometry, and the changes in the poplar surface were monitored using Fourier transform infrared (FTIR) photoacoustic spectroscopy, with a sampling depth of a few micrometers. The primary products from pyrolyzing cellulose, xylan, and lignin under similar conditions were also characterized to identify the sources of the poplar products.},\n\tnumber = {9},\n\tjournal = {Energy \\& Fuels},\n\tauthor = {Jones, Roger W. and Reinot, Tonu and McClelland, John F.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {5199--5209},\n}\n\n\n\n
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\n Pyrolysis of biomass produces both pyrolysis oil and solid char. In this study, poplar has been pyrolyzed in a stepwise fashion over a series of temperatures from 200 to 500 °C, and both the primary products contributing to pyrolysis oil and the changes in the pyrolyzing poplar surface leading toward char have been characterized at each step. The primary products were identified by direct analysis in real time (DART) mass spectrometry, and the changes in the poplar surface were monitored using Fourier transform infrared (FTIR) photoacoustic spectroscopy, with a sampling depth of a few micrometers. The primary products from pyrolyzing cellulose, xylan, and lignin under similar conditions were also characterized to identify the sources of the poplar products.\n
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\n \n\n \n \n \n \n \n \n Rapid determination of melamine and cyanuric acid in milk powder using direct analysis in real time-time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Vaclavik, L.; Rosmus, J.; Popping, B.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1217(25): 4204–4211. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_rapid_2010,\n\ttitle = {Rapid determination of melamine and cyanuric acid in milk powder using direct analysis in real time-time-of-flight mass spectrometry},\n\tvolume = {1217},\n\turl = {http://dx.doi.org/10.1016/j.chroma.2010.03.014},\n\tabstract = {The use of fast semi-automated method employing direct analysis in real time (DART) ion source coupled to time-of-flight mass spectrometry (TOFMS) for analysis of melamine (MEL) and cyanuric acid (CYA) in milk powder and milk based products has been demonstrated in this study. Simple sample extraction procedure employing methanol–5\\% aqueous formic acid mixture, which enabled disruption of melamine–cyanurate complex, was followed by direct, high-throughput (30 s per run) examination of sample extracts spread on a glass rod by mass spectrometry under ambient conditions, without any prior chromatographic separation. After optimization of instrument parameter settings, limits of detection (LODs) 170 and 450 μg kg−1 were achieved for MEL and CYA, respectively. In the final phase of study, the possibility of minimizing spectral interference, thus improving method performance characteristics through the use of ultrahigh resolving power offered by Orbitrap based mass analyzer is demonstrated.},\n\tnumber = {25},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Vaclavik, Lukas and Rosmus, Jan and Popping, Bert and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Melamine; Cyanuric acid; Milk powder; Direct analysis in real time (DART); Time-of-flight mass spectrometry; AccuTOF; Orbitrap mass spectrometry},\n\tpages = {4204--4211},\n}\n\n\n\n
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\n The use of fast semi-automated method employing direct analysis in real time (DART) ion source coupled to time-of-flight mass spectrometry (TOFMS) for analysis of melamine (MEL) and cyanuric acid (CYA) in milk powder and milk based products has been demonstrated in this study. Simple sample extraction procedure employing methanol–5% aqueous formic acid mixture, which enabled disruption of melamine–cyanurate complex, was followed by direct, high-throughput (30 s per run) examination of sample extracts spread on a glass rod by mass spectrometry under ambient conditions, without any prior chromatographic separation. After optimization of instrument parameter settings, limits of detection (LODs) 170 and 450 μg kg−1 were achieved for MEL and CYA, respectively. In the final phase of study, the possibility of minimizing spectral interference, thus improving method performance characteristics through the use of ultrahigh resolving power offered by Orbitrap based mass analyzer is demonstrated.\n
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\n \n\n \n \n \n \n \n \n Rapid Mass Spectrometric Metabolic Profiling of Blood Sera Detects Ovarian Cancer with High Accuracy.\n \n \n \n \n\n\n \n Zhou, M.; Guan, W.; Walker, L. D.; Mezencev, R.; Benigno, B. B.; Gray, A.; Fernandez, F. M.; and McDonald, J. F.\n\n\n \n\n\n\n Cancer Epidemiology, Biomarkers & Prevention. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{zhou_rapid_2010,\n\ttitle = {Rapid {Mass} {Spectrometric} {Metabolic} {Profiling} of {Blood} {Sera} {Detects} {Ovarian} {Cancer} with {High} {Accuracy}},\n\turl = {http://cebp.aacrjournals.org/content/early/2010/08/05/1055-9965.EPI-10-0126.abstract},\n\tdoi = {10.1158/1055-9965.EPI-10-0126},\n\tabstract = {Background: Ovarian cancer diagnosis is problematic because the disease is typically asymptomatic, especially at the early stages of progression and/or recurrence. We report here the integration of a new mass spectrometric technology with a novel support vector machine computational method for use in cancer diagnostics, and describe the application of the method to ovarian cancer.\n\nMethods: We coupled a high-throughput ambient ionization technique for mass spectrometry (direct analysis in real-time mass spectrometry) to profile relative metabolite levels in sera from 44 women diagnosed with serous papillary ovarian cancer (stages I-IV) and 50 healthy women or women with benign conditions. The profiles were input to a customized functional support vector machine–based machine-learning algorithm for diagnostic classification. Performance was evaluated through a 64-30 split validation test and with a stringent series of leave-one-out cross-validations.\n\nResults: The assay distinguished between the cancer and control groups with an unprecedented 99\\% to 100\\% accuracy (100\\% sensitivity and 100\\% specificity by the 64-30 split validation test; 100\\% sensitivity and 98\\% specificity by leave-one-out cross-validations).\n\nConclusion: The method has significant clinical potential as a cancer diagnostic tool. Because of the extremely low prevalence of ovarian cancer in the general population (∼0.04\\%), extensive prospective testing will be required to evaluate the test's potential utility in general screening applications. However, more immediate applications might be as a diagnostic tool in higher-risk groups or to monitor cancer recurrence after therapeutic treatment.\n\nImpact: The ability to accurately and inexpensively diagnose ovarian cancer will have a significant positive effect on ovarian cancer treatment and outcome.},\n\tjournal = {Cancer Epidemiology, Biomarkers \\& Prevention},\n\tauthor = {Zhou, M. and Guan, W. and Walker, L. D. and Mezencev, R. and Benigno, B. B. and Gray, A. and Fernandez, F. M. and McDonald, J. F.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
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\n Background: Ovarian cancer diagnosis is problematic because the disease is typically asymptomatic, especially at the early stages of progression and/or recurrence. We report here the integration of a new mass spectrometric technology with a novel support vector machine computational method for use in cancer diagnostics, and describe the application of the method to ovarian cancer. Methods: We coupled a high-throughput ambient ionization technique for mass spectrometry (direct analysis in real-time mass spectrometry) to profile relative metabolite levels in sera from 44 women diagnosed with serous papillary ovarian cancer (stages I-IV) and 50 healthy women or women with benign conditions. The profiles were input to a customized functional support vector machine–based machine-learning algorithm for diagnostic classification. Performance was evaluated through a 64-30 split validation test and with a stringent series of leave-one-out cross-validations. Results: The assay distinguished between the cancer and control groups with an unprecedented 99% to 100% accuracy (100% sensitivity and 100% specificity by the 64-30 split validation test; 100% sensitivity and 98% specificity by leave-one-out cross-validations). Conclusion: The method has significant clinical potential as a cancer diagnostic tool. Because of the extremely low prevalence of ovarian cancer in the general population (∼0.04%), extensive prospective testing will be required to evaluate the test's potential utility in general screening applications. However, more immediate applications might be as a diagnostic tool in higher-risk groups or to monitor cancer recurrence after therapeutic treatment. Impact: The ability to accurately and inexpensively diagnose ovarian cancer will have a significant positive effect on ovarian cancer treatment and outcome.\n
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\n \n\n \n \n \n \n \n Applications of Direct Analysis in Real Time Mass Spectrometry (DART-MS) in Allium Chemistry. (Z)-Butanethial S-Oxide and 1-Butenyl Thiosulfinates and Their S-(E)-1-Butenylcysteine S-Oxide Precursor from Allium siculum.\n \n \n \n\n\n \n Kubec, R.; Cody, R.; Dane, A.; Musah, R.; Schraml, J.; Vattekkatte, A.; and Block, E.\n\n\n \n\n\n\n Journal of Agricultural and Food Chemistry, 58(2): 1121–1128. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kubec_applications_2010,\n\ttitle = {Applications of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) in {Allium} {Chemistry}. ({Z})-{Butanethial} {S}-{Oxide} and 1-{Butenyl} {Thiosulfinates} and {Their} {S}-({E})-1-{Butenylcysteine} {S}-{Oxide} {Precursor} from {Allium} siculum},\n\tvolume = {58},\n\tissn = {0021-8561},\n\tdoi = {10.1021/jf903733e},\n\tabstract = {Lachrymatory (Z)-butanethial S-oxide along with several 1-butenyl thiosulfinates was detected by DART mass spectrometry upon cutting Allium siculum, a popular ornamental Allium species used in some cultures as a spice. (Z)-Butanethial S-oxide isolated from the plant was shown to be identical to a synthetic sample. Its likely precursor, (RS,RC,E)-S-(1-butenyl)cysteine S-oxide (homoisoalliin), was isolated from homogenates of A. siculum, and a closely related species Allium tripedale, and fully characterized. Through use of LC-MS, a series of related γ-glutamyl derivatives were tentatively identified in A. siculum and A. tripedale homogenates, including γ-glutamyl-(E)-S-(1-butenyl)cysteine and its S-oxide, γ-glutamyl-S-butylcysteine and its S-oxide, and γ-glutamyl-S-methylcysteine and its S-oxide. Because compounds containing the 1-butenyl group have not been previously identified in genus Allium species, this work extends the range of known Allium sulfur compounds. The general applicability of DART mass spectrometry in identifying naturally occurring, thermally fragile thial S-oxides and thiosulfinates is illustrated with onion, Allium cepa, as well as a plant from a different genus, Petiveria alliacea.},\n\tnumber = {2},\n\tjournal = {Journal of Agricultural and Food Chemistry},\n\tauthor = {Kubec, R. and Cody, R.B. and Dane, A.J. and Musah, R.A. and Schraml, J. and Vattekkatte, A. and Block, E.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1121--1128},\n}\n\n\n\n
\n
\n\n\n
\n Lachrymatory (Z)-butanethial S-oxide along with several 1-butenyl thiosulfinates was detected by DART mass spectrometry upon cutting Allium siculum, a popular ornamental Allium species used in some cultures as a spice. (Z)-Butanethial S-oxide isolated from the plant was shown to be identical to a synthetic sample. Its likely precursor, (RS,RC,E)-S-(1-butenyl)cysteine S-oxide (homoisoalliin), was isolated from homogenates of A. siculum, and a closely related species Allium tripedale, and fully characterized. Through use of LC-MS, a series of related γ-glutamyl derivatives were tentatively identified in A. siculum and A. tripedale homogenates, including γ-glutamyl-(E)-S-(1-butenyl)cysteine and its S-oxide, γ-glutamyl-S-butylcysteine and its S-oxide, and γ-glutamyl-S-methylcysteine and its S-oxide. Because compounds containing the 1-butenyl group have not been previously identified in genus Allium species, this work extends the range of known Allium sulfur compounds. The general applicability of DART mass spectrometry in identifying naturally occurring, thermally fragile thial S-oxides and thiosulfinates is illustrated with onion, Allium cepa, as well as a plant from a different genus, Petiveria alliacea.\n
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\n \n\n \n \n \n \n \n \n Bambusae Caulis in Taeniam extract reduces ovalbumin-induced airway inflammation and T helper 2 responses in mice.\n \n \n \n \n\n\n \n Ra, J.; Lee, S.; Kim, H.; Jang, Y.; Ahn, H.; and Kim, J.\n\n\n \n\n\n\n Journal of Ethnopharmacology, 128(1): 241–247. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"BambusaePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{ra_bambusae_2010,\n\ttitle = {Bambusae {Caulis} in {Taeniam} extract reduces ovalbumin-induced airway inflammation and {T} helper 2 responses in mice},\n\tvolume = {128},\n\turl = {http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6T8D-4Y5BMD1-B&_user=10&_coverDate=03%2F02%2F2010&_rdoc=1&_fmt=high&_orig=search&_sort=d&_docanchor=&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=4d40845f392128c88900870785447421},\n\tdoi = {10.1016/j.jep.2010.01.023},\n\tabstract = {Ethnopharmacological relevance Bambusae Caulis in Taeniam (BC) was known as traditional herbal medicine with anti-inflammatory property in the Orient. Aim of the study Allergic asthma is inflammatory disease of airways associated with enhanced T helper (Th) 2 lymphocytes responses to allergens, leading to eosinophilic infiltration and elevated serum IgE levels. Although there were some studies that BC extract had an anti-inflammatory property, there was no study on asthma. In present study, we investigated the suitability of BC extract as a therapeutic candidate in the treatment of allergic airway disease in ovalbumin-induced asthma model. Materials and methods Balb/C mice (female, 6 weeks old) were treated by ovalbumin sensitization and nebulization, and used as asthma model. The number of eosinophil in bronchoalveolar lavage (BAL) fluid and the degree of eosinophila were investigated by hematoxylin and eosin stain and the infiltration of inflammatory cells into lung tissues was examined by staining by hematoxylin and eosin solution. The levels of interleukin (IL)-4 in BAL fluid, immunoglobulin E (IgE) in serum, interferon (IFN)-γ and IL-4 production in splenocyte culture from Balb/C mice (not treated, 6 weeks old) that incubated with or without BC extract for 48 h were determined by enzyme-linked immunosorbent assay. Results The level of eosinophils was decreased by treatment of the animals with BC extract (40 mg/kg) and correspondingly, a significantly lowered degree of eosinophila was also reported (p {\\textless} 0.01). In lung tissue, BC extract reduced the increased immune cell infiltration induced by OVA (p {\\textless} 0.05). Furthermore, the levels of IL-4 and IgE in BAL fluid or serum up-regulated by OVA was decreased by BC extract. Finally, IFN-γ production was significantly increased (p {\\textless} 0.01), while IL-4 production significantly decreased (p {\\textless} 0.01), after treatment of the culture supernatants of splenocytes with BC extract. Conclusions These results indicated that BC extract reduces OVA-induced airway inflammation and Th 2 response in mice, suggesting that BC extract can be a therapeutic candidate for allergic airway disease, including asthma.},\n\tnumber = {1},\n\tjournal = {Journal of Ethnopharmacology},\n\tauthor = {Ra, J. and Lee, S. and Kim, H.J. and Jang, Y.P. and Ahn, H. and Kim, J.},\n\tyear = {2010},\n\tkeywords = {Airway inflammation; Bambusae Caulis in Taeniam; Herbal medicine; AccuTOF},\n\tpages = {241--247},\n}\n\n\n\n
\n
\n\n\n
\n Ethnopharmacological relevance Bambusae Caulis in Taeniam (BC) was known as traditional herbal medicine with anti-inflammatory property in the Orient. Aim of the study Allergic asthma is inflammatory disease of airways associated with enhanced T helper (Th) 2 lymphocytes responses to allergens, leading to eosinophilic infiltration and elevated serum IgE levels. Although there were some studies that BC extract had an anti-inflammatory property, there was no study on asthma. In present study, we investigated the suitability of BC extract as a therapeutic candidate in the treatment of allergic airway disease in ovalbumin-induced asthma model. Materials and methods Balb/C mice (female, 6 weeks old) were treated by ovalbumin sensitization and nebulization, and used as asthma model. The number of eosinophil in bronchoalveolar lavage (BAL) fluid and the degree of eosinophila were investigated by hematoxylin and eosin stain and the infiltration of inflammatory cells into lung tissues was examined by staining by hematoxylin and eosin solution. The levels of interleukin (IL)-4 in BAL fluid, immunoglobulin E (IgE) in serum, interferon (IFN)-γ and IL-4 production in splenocyte culture from Balb/C mice (not treated, 6 weeks old) that incubated with or without BC extract for 48 h were determined by enzyme-linked immunosorbent assay. Results The level of eosinophils was decreased by treatment of the animals with BC extract (40 mg/kg) and correspondingly, a significantly lowered degree of eosinophila was also reported (p \\textless 0.01). In lung tissue, BC extract reduced the increased immune cell infiltration induced by OVA (p \\textless 0.05). Furthermore, the levels of IL-4 and IgE in BAL fluid or serum up-regulated by OVA was decreased by BC extract. Finally, IFN-γ production was significantly increased (p \\textless 0.01), while IL-4 production significantly decreased (p \\textless 0.01), after treatment of the culture supernatants of splenocytes with BC extract. Conclusions These results indicated that BC extract reduces OVA-induced airway inflammation and Th 2 response in mice, suggesting that BC extract can be a therapeutic candidate for allergic airway disease, including asthma.\n
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\n \n\n \n \n \n \n \n Analysis of multiple mycotoxins in cereals under ambient conditions using direct analysis in real time (DART) ionization coupled to high resolution mass spectrometry.\n \n \n \n\n\n \n Vaclavik, L.; Zachariasova, M.; Hrbek, V.; and Hajslova, J.\n\n\n \n\n\n\n Talanta, 82(5): 1950–1957. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{vaclavik_analysis_2010,\n\ttitle = {Analysis of multiple mycotoxins in cereals under ambient conditions using direct analysis in real time ({DART}) ionization coupled to high resolution mass spectrometry},\n\tvolume = {82},\n\tabstract = {Direct analysis in real time (DART) ionization coupled to an (ultra)high resolution mass spectrometer based on orbitrap technology (orbitrapMS) was used for rapid quantitative analysis of multiple mycotoxins isolated from wheat and maize by modified QuEChERS procedure. After initial evaluation of ionization efficiencies for major groups of mycotoxins achievable with DART technology, sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of most intensively ionizing toxins (deoxynivalenol, nivalenol, zearalenon, actyldeoxynivalenol, deepoxy-deoxynivalenol, fusarenon-X, altenuene, alternariol, alternariolmethylether, diacetoxyscirpenol,\nsterigmatocystin). The lowest calibration levels (LCLs) estimated for the respective analytes ranged from 50 to 150 [mu]g kg-1. Quantitative\nanalysis was performed either with the use of matrix-matched standards or by employing commercially available 13C-labeled internal standards\n(available for deoxynivalenol, nivalenol and zearalenon). Good recoveries (100-108\\%) and repeatabilities (RSD 5.4-6.9\\%) were obtained\nat spiking level 500 [mu]g kg-1 with isotope dilution technique. Based on matrix-matched calibration, recoveries and repeatabilities were in\nthe range 84-118\\% and 7.9-12.0\\% (RSD), respectively. The trueness of data obtained for deoxynivalenol and zearalenon in wheat/maize by DART-orbitrapMS was demonstrated by analysis of certified reference materials (CRMs). Good agreement of these results with data generated\nby validated ultra-high pressure liquid chromatography-time-of-flight mass spectrometry method was documented.},\n\tnumber = {5},\n\tjournal = {Talanta},\n\tauthor = {Vaclavik, Lukas and Zachariasova, Milena and Hrbek, Vojtech and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Orbitrap},\n\tpages = {1950--1957},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n\n\n
\n Direct analysis in real time (DART) ionization coupled to an (ultra)high resolution mass spectrometer based on orbitrap technology (orbitrapMS) was used for rapid quantitative analysis of multiple mycotoxins isolated from wheat and maize by modified QuEChERS procedure. After initial evaluation of ionization efficiencies for major groups of mycotoxins achievable with DART technology, sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of most intensively ionizing toxins (deoxynivalenol, nivalenol, zearalenon, actyldeoxynivalenol, deepoxy-deoxynivalenol, fusarenon-X, altenuene, alternariol, alternariolmethylether, diacetoxyscirpenol, sterigmatocystin). The lowest calibration levels (LCLs) estimated for the respective analytes ranged from 50 to 150 [mu]g kg-1. Quantitative analysis was performed either with the use of matrix-matched standards or by employing commercially available 13C-labeled internal standards (available for deoxynivalenol, nivalenol and zearalenon). Good recoveries (100-108%) and repeatabilities (RSD 5.4-6.9%) were obtained at spiking level 500 [mu]g kg-1 with isotope dilution technique. Based on matrix-matched calibration, recoveries and repeatabilities were in the range 84-118% and 7.9-12.0% (RSD), respectively. The trueness of data obtained for deoxynivalenol and zearalenon in wheat/maize by DART-orbitrapMS was demonstrated by analysis of certified reference materials (CRMs). Good agreement of these results with data generated by validated ultra-high pressure liquid chromatography-time-of-flight mass spectrometry method was documented.\n
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\n \n\n \n \n \n \n \n Thermal separation to facilitate Direct Analysis in Real Time (DART) of mixtures.\n \n \n \n\n\n \n Nilles, J.; Connell, T.; and Durst, H.\n\n\n \n\n\n\n Analyst, 135(5): 883–886. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{nilles_thermal_2010,\n\ttitle = {Thermal separation to facilitate {Direct} {Analysis} in {Real} {Time} ({DART}) of mixtures},\n\tvolume = {135},\n\tdoi = {10.1039/c0an00036a},\n\tabstract = {We explore a thermal separation technique for use with Direct Analysis in Real Time (DART). By applying gas temperature ramping, we are able to disburse a mixture of compounds in time. The three components were selected to create a challenging mixture that would not likely be discerned solely using exact mass capabilities. While the thermal separation technique is of low resolution, it preserves the inherent rapid, non-contact, ambient characteristics of the ion source.},\n\tnumber = {5},\n\tjournal = {Analyst},\n\tauthor = {Nilles, J.M. and Connell, T.R. and Durst, H.D.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {883--886},\n}\n\n\n\n
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\n We explore a thermal separation technique for use with Direct Analysis in Real Time (DART). By applying gas temperature ramping, we are able to disburse a mixture of compounds in time. The three components were selected to create a challenging mixture that would not likely be discerned solely using exact mass capabilities. While the thermal separation technique is of low resolution, it preserves the inherent rapid, non-contact, ambient characteristics of the ion source.\n
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\n \n\n \n \n \n \n \n Profiling of Piper betle Linn. cultivars by direct analysis in real time mass spectrometric technique.\n \n \n \n\n\n \n Bajpai, V.; Sharma, D.; Kumar, B.; and Madhusudanan, K. P.\n\n\n \n\n\n\n Biomedical Chromatography, 24(12): 1283–1286. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{bajpai_profiling_2010,\n\ttitle = {Profiling of {Piper} betle {Linn}. cultivars by direct analysis in real time mass spectrometric technique},\n\tvolume = {24},\n\tdoi = {10.1002/bmc.1437},\n\tabstract = {Piper betle Linn. is a traditional plant associated with the Asian and southeast Asian cultures. Its use is also recorded in folk medicines in these regions. Several of its medicinal properties have recently been proven. Phytochemical analysis showed the presence of mainly terpenes and phenols in betel leaves. These constituents vary in the different cultivars of Piper betle. In this paper we have attempted to profile eight locally available betel cultivars using the recently developed mass spectral ionization technique of direct analysis in real time (DART). Principal component analysis has also been employed to analyze the DART MS data of these betel cultivars. The results show that the cultivars of Piper betle could be differentiated using DART MS data.},\n\tnumber = {12},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Bajpai, Vikas and Sharma, Deepty and Kumar, Brijesh and Madhusudanan, K. P.},\n\tyear = {2010},\n\tkeywords = {DARTMS; Piper betle L; cultivars; profiling; PCA; AccuTOF},\n\tpages = {1283--1286},\n}\n\n\n\n
\n
\n\n\n
\n Piper betle Linn. is a traditional plant associated with the Asian and southeast Asian cultures. Its use is also recorded in folk medicines in these regions. Several of its medicinal properties have recently been proven. Phytochemical analysis showed the presence of mainly terpenes and phenols in betel leaves. These constituents vary in the different cultivars of Piper betle. In this paper we have attempted to profile eight locally available betel cultivars using the recently developed mass spectral ionization technique of direct analysis in real time (DART). Principal component analysis has also been employed to analyze the DART MS data of these betel cultivars. The results show that the cultivars of Piper betle could be differentiated using DART MS data.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time Ion Source.\n \n \n \n\n\n \n Cody, R. B.; and Dane, A. J.\n\n\n \n\n\n\n In Meyers, R. A., editor(s), Encyclopedia of Analytical Chemistry. John Wiley & Sons, Ltd., Published online: December 15, 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@incollection{cody_direct_2010,\n\taddress = {Published online: December 15},\n\ttitle = {Direct {Analysis} in {Real} {Time} {Ion} {Source}},\n\tisbn = {978-0-470-02731-8},\n\tabstract = {Direct Analysis in Real Time (DARTTM) refers to an atmospheric-pressure “open-air” ion source that is based on the interaction of long-lived (“metastable”) excited-state neutral atoms or molecules with analytes and atmospheric gases. The DART source is used for the rapid analysis of liquids, solids, vapors, or materials on surfaces in open air with little or no sample preparation.},\n\tbooktitle = {Encyclopedia of {Analytical} {Chemistry}},\n\tpublisher = {John Wiley \\& Sons, Ltd.},\n\tauthor = {Cody, Robert B. and Dane, A. John},\n\teditor = {Meyers, Robert A.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
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\n\n\n
\n Direct Analysis in Real Time (DARTTM) refers to an atmospheric-pressure “open-air” ion source that is based on the interaction of long-lived (“metastable”) excited-state neutral atoms or molecules with analytes and atmospheric gases. The DART source is used for the rapid analysis of liquids, solids, vapors, or materials on surfaces in open air with little or no sample preparation.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART) Mass Spectrometry of Nucleotides and Nucleosides: Elucidation of a Novel Fragment [C5H5O]+ and Its In-Source Adducts.\n \n \n \n\n\n \n Curtis, M. E.; Minier, M. A.; Chitranshi, P.; Sparkman, O. D.; Jones, P. R.; and Xue, L.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(8): 1371–1381. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{curtis_direct_2010,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry} of {Nucleotides} and {Nucleosides}: {Elucidation} of a {Novel} {Fragment} [{C5H5O}]+ and {Its} {In}-{Source} {Adducts}},\n\tvolume = {21},\n\tdoi = {10.1016/j.jasms.2010.03.046},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry is a recently developed innovative technology, which has shown broad applications for fast and convenient analysis of complex samples. Due to the ease of sample preparation, we have recently initiated an investigation of the feasibility of detecting nucleotides and nucleosides using the DART-AccuTOF instrument, which we will refer to as the DART mass spectrometer. Our experimental results reveal that the ions representing the intact molecules of nucleotides are not detectable in either positive-ion or negative-ion mode. Instead, all four natural nucleotides fragment in the DART ion source, and a common fragment ion, [C5H5O]+ (1), is observed, which is probably formed via multiple- elimination reactions. Interestingly, 1  can form adducts with nucleobases in different molar ratios in the DART ion source. In contrast to nucleotides, the ions representing the intact molecules of nucleosides are detected in both positive-ion and negative-ion mode using DART mass spectrometry. Surprisingly, the fragmentation pattern of nucleosides is different from that of nucleotides in the DART ion source. In the cases of nucleosides (under positive-ion conditions), the production of 1 is not observed, indicating that the phosphate group plays an important role for the multiple eliminations observed in the spectra of nucleotides. The in-source reactions described in the present work show the complexity of the conditions in the DART ion source, and we hope that our results illustrate a better understanding about DART mass spectrometry.},\n\tnumber = {8},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Curtis, M. E. and Minier, M. A. and Chitranshi, P. and Sparkman, O. D. and Jones, P. R. and Xue, L.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1371--1381},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) mass spectrometry is a recently developed innovative technology, which has shown broad applications for fast and convenient analysis of complex samples. Due to the ease of sample preparation, we have recently initiated an investigation of the feasibility of detecting nucleotides and nucleosides using the DART-AccuTOF instrument, which we will refer to as the DART mass spectrometer. Our experimental results reveal that the ions representing the intact molecules of nucleotides are not detectable in either positive-ion or negative-ion mode. Instead, all four natural nucleotides fragment in the DART ion source, and a common fragment ion, [C5H5O]+ (1), is observed, which is probably formed via multiple- elimination reactions. Interestingly, 1 can form adducts with nucleobases in different molar ratios in the DART ion source. In contrast to nucleotides, the ions representing the intact molecules of nucleosides are detected in both positive-ion and negative-ion mode using DART mass spectrometry. Surprisingly, the fragmentation pattern of nucleosides is different from that of nucleotides in the DART ion source. In the cases of nucleosides (under positive-ion conditions), the production of 1 is not observed, indicating that the phosphate group plays an important role for the multiple eliminations observed in the spectra of nucleotides. The in-source reactions described in the present work show the complexity of the conditions in the DART ion source, and we hope that our results illustrate a better understanding about DART mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n Release kinetics of actives from chewing gums into saliva monitored by direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Jeckelmann, N.; and Haefliger, O. P.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(8): 1165–1171. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ReleasePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{jeckelmann_release_2010,\n\ttitle = {Release kinetics of actives from chewing gums into saliva monitored by direct analysis in real time mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4500},\n\tdoi = {10.1002/rcm.4500},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) was used to monitor the release kinetics of a taste-refreshing compound from chewing gums into the saliva of subjects. A new DART-MS sample probe was designed which was about four times more sensitive than the current benchmark probe. This decreased the impact of the dilution of the saliva samples that was required to minimize ion suppression effects and make quantitative analyses without an internal standard possible. The new probe was also about three times more reproducible, which allowed quantitative measurements to be conducted manually without requiring the enhanced precision provided by an automatic sample positioner. The accuracy of analyses performed by DART-MS was verified by comparing the results obtained from saliva samples analyzed both by DART-MS and by a more classical liquid chromatography/mass spectrometry (LC/MS) method. This investigation showed good agreement between the two techniques. DART-MS could then be used to objectively demonstrate the efficiency of a granular carbohydrate-based delivery system to boost for a few minutes the release of a lipophilic flavor raw material with a high octanol/water partition coefficient, cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl) (WS-3), from chewing gum into saliva. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {8},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Jeckelmann, Nicolas and Haefliger, Olivier P.},\n\tyear = {2010},\n\tkeywords = {Applied Biosystems QTrap},\n\tpages = {1165--1171},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) was used to monitor the release kinetics of a taste-refreshing compound from chewing gums into the saliva of subjects. A new DART-MS sample probe was designed which was about four times more sensitive than the current benchmark probe. This decreased the impact of the dilution of the saliva samples that was required to minimize ion suppression effects and make quantitative analyses without an internal standard possible. The new probe was also about three times more reproducible, which allowed quantitative measurements to be conducted manually without requiring the enhanced precision provided by an automatic sample positioner. The accuracy of analyses performed by DART-MS was verified by comparing the results obtained from saliva samples analyzed both by DART-MS and by a more classical liquid chromatography/mass spectrometry (LC/MS) method. This investigation showed good agreement between the two techniques. DART-MS could then be used to objectively demonstrate the efficiency of a granular carbohydrate-based delivery system to boost for a few minutes the release of a lipophilic flavor raw material with a high octanol/water partition coefficient, cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl) (WS-3), from chewing gum into saliva. Copyright © 2010 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Comparison of the Internal Energy Deposition of Direct Analysis in Real Time and Electrospray Ionization Time-of-Flight Mass Spectrometry.\n \n \n \n\n\n \n Harris, G. A.; Hostetler, D. M.; Hampton, C.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(5): 855–863. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{harris_comparison_2010,\n\ttitle = {Comparison of the {Internal} {Energy} {Deposition} of {Direct} {Analysis} in {Real} {Time} and {Electrospray} {Ionization} {Time}-of-{Flight} {Mass} {Spectrometry}},\n\tvolume = {21},\n\tdoi = {10.1016/j.jasms.2010.01.019},\n\tabstract = {The internal energy (Eint) distributions of a series of p-substituted benzylpyridinium ions generated by both direct analysis in real time (DART) and electrospray ionization (ESI) were compared using the “survival yield” method. DART mean Eint values at gas flow rates of 2, 4, and 6 L min−1, and at set temperatures of 175, 250, and 325 °C were in the 1.92–2.21 eV range. ESI mean Eint  at identical temperatures in aqueous and 50\\% methanol solutions ranged between 1.71 and 1.96 eV, and 1.53 and 1.63 eV, respectively. Although the results indicated that ESI is a “softer” ionization technique than DART, there was overlap between the two techniques for the particular time-of-flight mass spectrometer used. As a whole, there was an increase in Eint with increasing reactive and drying gas temperatures for DART and ESI, respectively, indicating thermal ion activation. Three dimensional computational fluid dynamic simulations in combination with direct temperature measurements within the DART ionization region revealed complex inversely coupled fluid-thermal phenomena affecting ion Eint values during atmospheric transport. Primarily, that DART gas temperature in the ionization region was appreciably less than the set gas temperature of DART due to the set gas flow rates. There was no evidence of Eint deposition pathways from metastable-stimulated desorption, but fragmentation induced by high-energy helium metastables was observed at the highest gas flow rates and temperatures.},\n\tnumber = {5},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Harris, G. A. and Hostetler, D. M. and Hampton, C.Y. and Fernández, F. M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {855--863},\n}\n\n\n\n
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\n The internal energy (Eint) distributions of a series of p-substituted benzylpyridinium ions generated by both direct analysis in real time (DART) and electrospray ionization (ESI) were compared using the “survival yield” method. DART mean Eint values at gas flow rates of 2, 4, and 6 L min−1, and at set temperatures of 175, 250, and 325 °C were in the 1.92–2.21 eV range. ESI mean Eint at identical temperatures in aqueous and 50% methanol solutions ranged between 1.71 and 1.96 eV, and 1.53 and 1.63 eV, respectively. Although the results indicated that ESI is a “softer” ionization technique than DART, there was overlap between the two techniques for the particular time-of-flight mass spectrometer used. As a whole, there was an increase in Eint with increasing reactive and drying gas temperatures for DART and ESI, respectively, indicating thermal ion activation. Three dimensional computational fluid dynamic simulations in combination with direct temperature measurements within the DART ionization region revealed complex inversely coupled fluid-thermal phenomena affecting ion Eint values during atmospheric transport. Primarily, that DART gas temperature in the ionization region was appreciably less than the set gas temperature of DART due to the set gas flow rates. There was no evidence of Eint deposition pathways from metastable-stimulated desorption, but fragmentation induced by high-energy helium metastables was observed at the highest gas flow rates and temperatures.\n
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\n \n\n \n \n \n \n \n Determination of organic UV filters in water by stir bar sorptive extraction and direct analysis in real-time mass spectrometry.\n \n \n \n\n\n \n Haunschmidt, M.; Klampfl, C.; Buchberger, W.; and Hertsens, R.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 397(1): 269–275. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_determination_2010,\n\ttitle = {Determination of organic {UV} filters in water by stir bar sorptive extraction and direct analysis in real-time mass spectrometry},\n\tvolume = {397},\n\tdoi = {10.1007/s00216-009-3438-9},\n\tabstract = {A screening method for analyzing environmental waters contaminated with UV filters using direct analysis in real-time mass spectrometry (DART-MS) was developed. To demonstrate the suitability of DART-MS a test set of seven organic UV filters, namely benzophenone-3 (BP-3), ethylhexyl dimethyl p-aminobenzoate (OD-PABA), 4-t-butyl-4′-methoxydibenzoylmethane (BM-DBM), homomethyl salicylate (HMS), 2-(ethylhexyl) salicylate (EHS), octocrylene (OC), and 4-methylbenzylidene camphor (4-MBC), was defined. In the first step, standard solutions of the analytes prepared in methanol were investigated in order to determine optimum parameters for the DART-MS. Because of the very low concentrations of UV filters expected in environmental water samples, a pre-concentration step using stir bar sorptive extraction was performed. DART-MS allows the direct, simple and rapid semi-quantitative analysis of the analytes enriched on the surface of the polydimethylsiloxane-coated stir bars. The optimized method provided calibration curves with correlation coefficients R{\\textgreater}0.959, repeatability from 5\\% (for 4-MBC) to 30\\% (for BM-DBM) relative standard deviation and limits of detection lower than 40 ng L−1 for all analytes. Finally, real lake water samples from locations with typical leisure activities were analyzed. Results obtained with the developed DART-MS method were cross-checked by confirmatory analysis using thermodesorption gas chromatography mass spectrometry (TD-GC-MS). Thereby, it could be demonstrated that both analytical methods provide comparable concentrations for the UV filters in the lake water samples.},\n\tnumber = {1},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Haunschmidt, Manuela and Klampfl, Christian and Buchberger, Wolfgang and Hertsens, Robert},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {269--275},\n}\n\n\n\n
\n
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\n A screening method for analyzing environmental waters contaminated with UV filters using direct analysis in real-time mass spectrometry (DART-MS) was developed. To demonstrate the suitability of DART-MS a test set of seven organic UV filters, namely benzophenone-3 (BP-3), ethylhexyl dimethyl p-aminobenzoate (OD-PABA), 4-t-butyl-4′-methoxydibenzoylmethane (BM-DBM), homomethyl salicylate (HMS), 2-(ethylhexyl) salicylate (EHS), octocrylene (OC), and 4-methylbenzylidene camphor (4-MBC), was defined. In the first step, standard solutions of the analytes prepared in methanol were investigated in order to determine optimum parameters for the DART-MS. Because of the very low concentrations of UV filters expected in environmental water samples, a pre-concentration step using stir bar sorptive extraction was performed. DART-MS allows the direct, simple and rapid semi-quantitative analysis of the analytes enriched on the surface of the polydimethylsiloxane-coated stir bars. The optimized method provided calibration curves with correlation coefficients R\\textgreater0.959, repeatability from 5% (for 4-MBC) to 30% (for BM-DBM) relative standard deviation and limits of detection lower than 40 ng L−1 for all analytes. Finally, real lake water samples from locations with typical leisure activities were analyzed. Results obtained with the developed DART-MS method were cross-checked by confirmatory analysis using thermodesorption gas chromatography mass spectrometry (TD-GC-MS). Thereby, it could be demonstrated that both analytical methods provide comparable concentrations for the UV filters in the lake water samples.\n
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\n \n\n \n \n \n \n \n Investigations on the Coupling of High-Performance Liquid Chromatography to Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Eberherr, W.; Buchberger, W.; Hertsens, R.; and Klampfl, C.\n\n\n \n\n\n\n Analytical Chemistry, 82(13): 5792–5796. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{eberherr_investigations_2010,\n\ttitle = {Investigations on the {Coupling} of {High}-{Performance} {Liquid} {Chromatography} to {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {82},\n\tdoi = {10.1021/ac1008496},\n\tabstract = {A novel hyphenated technique namely the combination of HPLC with direct analysis in real time (DART) mass spectrometry (MS) is presented. The coupling of HPLC to DART-MS was achieved by a simple interface design with a capillary end piece transferring the HPLC effluent to the ionization region of the DART. Flow rates (0.3−1.6 mL min−1) and inner diameters of the capillary (50−150 μm) were harmonized to provide a stable liquid jet. Ionization-related parameters optimized included positioning of the capillary end piece with respect to He outlet of the ionization source and the MS inlet, He heater temperature and He flow rate. Among DART-MS voltages, the grid electrode voltage proved to have the most pronounced effect on signal intensities. A major benefit of this setup is the possibility to employ (commonly not MS-compatible) HPLC eluents such as phosphate buffers up to a phosphate concentration of 120 mM even at typical HPLC flow rates such as 1 mL min−1  and above without negative side effects like contamination of the ion source or ion suppression. Experiments evaluating the correlation of signal intensity to mass-flow and concentration revealed that DART-MS can be seen as a mass flow sensitive detector. The usability of this hyphenated technique has been tested on the example of four parabenes (measured in the negative ion mode) as well as a set of pyrazine derivatives (measured in the positive ion mode). For the parabenes limits of detection (LOD) in the range of 20−55 μg L−1 and linear ranges from at least 200−10000 μg L−1 with correlation coefficients better than 0.997 were obtained.},\n\tnumber = {13},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Eberherr, W. and Buchberger, W. and Hertsens, R. and Klampfl, C.W.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {5792--5796},\n}\n\n\n\n
\n
\n\n\n
\n A novel hyphenated technique namely the combination of HPLC with direct analysis in real time (DART) mass spectrometry (MS) is presented. The coupling of HPLC to DART-MS was achieved by a simple interface design with a capillary end piece transferring the HPLC effluent to the ionization region of the DART. Flow rates (0.3−1.6 mL min−1) and inner diameters of the capillary (50−150 μm) were harmonized to provide a stable liquid jet. Ionization-related parameters optimized included positioning of the capillary end piece with respect to He outlet of the ionization source and the MS inlet, He heater temperature and He flow rate. Among DART-MS voltages, the grid electrode voltage proved to have the most pronounced effect on signal intensities. A major benefit of this setup is the possibility to employ (commonly not MS-compatible) HPLC eluents such as phosphate buffers up to a phosphate concentration of 120 mM even at typical HPLC flow rates such as 1 mL min−1 and above without negative side effects like contamination of the ion source or ion suppression. Experiments evaluating the correlation of signal intensity to mass-flow and concentration revealed that DART-MS can be seen as a mass flow sensitive detector. The usability of this hyphenated technique has been tested on the example of four parabenes (measured in the negative ion mode) as well as a set of pyrazine derivatives (measured in the positive ion mode). For the parabenes limits of detection (LOD) in the range of 20−55 μg L−1 and linear ranges from at least 200−10000 μg L−1 with correlation coefficients better than 0.997 were obtained.\n
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\n \n\n \n \n \n \n \n Capabilities of direct analysis in real time mass spectrometry and gas chromatography-mass spectrometry in the mint oil test.\n \n \n \n\n\n \n Chernetsova, E. S.; Khomyakov, Y. Y.; Goryainov, S. V.; Ovcharov, M. V.; Bochkov, P. O.; Zatonsky, G. V.; Zhokhov, S. S.; and Abramovich, R. A.\n\n\n \n\n\n\n Mendeleev Communications, 20(5): 299–300. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{chernetsova_capabilities_2010,\n\ttitle = {Capabilities of direct analysis in real time mass spectrometry and gas chromatography-mass spectrometry in the mint oil test},\n\tvolume = {20},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry is compared to gas chromatography–mass spectrometry by the example of mint essential oil analysis.},\n\tnumber = {5},\n\tjournal = {Mendeleev Communications},\n\tauthor = {Chernetsova, Elena S. and Khomyakov, Yuri Yu. and Goryainov, Sergey V. and Ovcharov, Maxim V. and Bochkov, Pavel O. and Zatonsky, George V. and Zhokhov, Sergey S. and Abramovich, Rimma A.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {299--300},\n}\n\n\n\n
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\n Direct analysis in real time (DART) mass spectrometry is compared to gas chromatography–mass spectrometry by the example of mint essential oil analysis.\n
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\n \n\n \n \n \n \n \n Selective ionization of melamine in powdered milk by using argon direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Dane, A. J.; and Cody, R. B.\n\n\n \n\n\n\n Analyst, 135(4): 696–699. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{dane_selective_2010,\n\ttitle = {Selective ionization of melamine in powdered milk by using argon direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {135},\n\tdoi = {10.1039/B923561B},\n\tabstract = {5-Hydroxymethylfurfural (5-HMF) is a compound with the elemental composition C6H6O3 that is present in powdered milk. Protonated 5-HMF (calculated m/z 127.0395) has the same nominal m/z as protonated melamine (calculated m/z 127.0732) and can interfere with direct analysis of melamine in powdered milk. Tandem mass spectrometry and high-resolution mass spectrometry have been previously used to distinguish melamine from 5-HMF. An alternative approach is presented here that uses the direct analysis in real time (DART) ion source operated with argon gas in combination with acetylacetone and pyridine reagent gases to selectively ionize melamine and eliminate the interference from 5-HMF. High-resolution/accurate mass data were used to verify the elimination of the 5-HMF interference and confirm the melamine elemental composition. With further refinement, this technique could lead to a rapid analysis method for screening large numbers of samples.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Dane, A. John and Cody, R. B.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {696--699},\n}\n\n\n\n
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\n 5-Hydroxymethylfurfural (5-HMF) is a compound with the elemental composition C6H6O3 that is present in powdered milk. Protonated 5-HMF (calculated m/z 127.0395) has the same nominal m/z as protonated melamine (calculated m/z 127.0732) and can interfere with direct analysis of melamine in powdered milk. Tandem mass spectrometry and high-resolution mass spectrometry have been previously used to distinguish melamine from 5-HMF. An alternative approach is presented here that uses the direct analysis in real time (DART) ion source operated with argon gas in combination with acetylacetone and pyridine reagent gases to selectively ionize melamine and eliminate the interference from 5-HMF. High-resolution/accurate mass data were used to verify the elimination of the 5-HMF interference and confirm the melamine elemental composition. With further refinement, this technique could lead to a rapid analysis method for screening large numbers of samples.\n
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\n \n\n \n \n \n \n \n Routine analysis and characterization of highly insoluble polycyclic aromatic compounds by direct analysis in real time mass spectrometry (DART).\n \n \n \n\n\n \n Domin, M.; Steinberg, B.; Quimby, J.; Smith, N.; Greene, A.; and Scott, L.\n\n\n \n\n\n\n Analyst, 135(4): 700–704. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{domin_routine_2010,\n\ttitle = {Routine analysis and characterization of highly insoluble polycyclic aromatic compounds by direct analysis in real time mass spectrometry ({DART})},\n\tvolume = {135},\n\tdoi = {10.1039/b923300h},\n\tabstract = {Direct Analysis in Real Time (DART), is used for the first time for the routine rapid analysis of highly insoluble polycyclic aromatic compounds. Direct analysis of such compounds as solid samples under solvent-free conditions shows that DART is a powerful analytical platform capable of providing high-throughput analysis for these complex samples, requiring no special sample pre-treatment or instrument setup.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Domin, M.A. and Steinberg, B.D. and Quimby, J.M. and Smith, N.J. and Greene, A.K. and Scott, L.T.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {700--704},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Direct Analysis in Real Time (DART), is used for the first time for the routine rapid analysis of highly insoluble polycyclic aromatic compounds. Direct analysis of such compounds as solid samples under solvent-free conditions shows that DART is a powerful analytical platform capable of providing high-throughput analysis for these complex samples, requiring no special sample pre-treatment or instrument setup.\n
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\n \n\n \n \n \n \n \n Allium chemistry: Use of new instrumental techniques to “see” reactive organosulfur species formed upon crushing garlic and onion.\n \n \n \n\n\n \n Block, E.; Cody, R.; Dane, A.; Sheridan, R.; Vattekkatte, A.; and Wang, K.\n\n\n \n\n\n\n Pure and Applied Chemistry, 82(3): 535–539. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{block_allium_2010,\n\ttitle = {Allium chemistry: {Use} of new instrumental techniques to “see” reactive organosulfur species formed upon crushing garlic and onion},\n\tvolume = {82},\n\tdoi = {10.1351/PAC-CON-09-08-12},\n\tabstract = {Three different instrumental methods have been used to examine the organosulfur chemistry of intact and cut garlic and onions: X-ray fluorescence spectroscopic imaging (XFS), direct analysis in real time (DART) mass spec-trometry, and ultra-performance liquid chromatography-(Ag+)-coordination ion spray mass spectrometry (UPLC–(Ag+)CIS–MS). The first technique has been used to map the location of different chemical forms of sulfur in intact and damaged onion cells, the second technique, to identify the reactive, volatile sulfur compounds formed on cutting the plants, and the third technique, to identify members of families of polysulfides  found in the distilled oil of garlic.},\n\tnumber = {3},\n\tjournal = {Pure and Applied Chemistry},\n\tauthor = {Block, E. and Cody, R.B. and Dane, A.J. and Sheridan, R. and Vattekkatte, A. and Wang, K.},\n\tyear = {2010},\n\tkeywords = {direct analysis in real time; garlic; mass spectrometry; onion; sulfur compounds; ultra-performance liquid chromatography; X-ray fluorescence spectroscopy, AccuTOF},\n\tpages = {535--539},\n}\n\n\n\n
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\n Three different instrumental methods have been used to examine the organosulfur chemistry of intact and cut garlic and onions: X-ray fluorescence spectroscopic imaging (XFS), direct analysis in real time (DART) mass spec-trometry, and ultra-performance liquid chromatography-(Ag+)-coordination ion spray mass spectrometry (UPLC–(Ag+)CIS–MS). The first technique has been used to map the location of different chemical forms of sulfur in intact and damaged onion cells, the second technique, to identify the reactive, volatile sulfur compounds formed on cutting the plants, and the third technique, to identify members of families of polysulfides found in the distilled oil of garlic.\n
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\n \n\n \n \n \n \n \n Applications of Direct Analysis in Real Time Mass Spectrometry (DART-MS) in Allium Chemistry. 2-Propenesulfenic and 2-Propenesulfinic Acids, Diallyl Trisulfane S-Oxide, and Other Reactive Sulfur Compounds from Crushed Garlic and Other Alliums.\n \n \n \n\n\n \n Block, E.; Dane, A.; Thomas, S.; and Cody, R.\n\n\n \n\n\n\n Journal of Agricultural and Food Chemistry, 58(8): 4617–4625. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{block_applications_2010,\n\ttitle = {Applications of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) in {Allium} {Chemistry}. 2-{Propenesulfenic} and 2-{Propenesulfinic} {Acids}, {Diallyl} {Trisulfane} {S}-{Oxide}, and {Other} {Reactive} {Sulfur} {Compounds} from {Crushed} {Garlic} and {Other} {Alliums}},\n\tvolume = {58},\n\tdoi = {10.1021/jf1000106},\n\tabstract = {Through the use of direct analysis in real time mass spectrometry (DART-MS), 2-propenesulfenic acid, an intermediate long postulated as being formed when garlic (Allium sativum) is crushed, has been detected for the first time and determined by mass spectrometric methods to have a half-life of {\\textless}1 s at room temperature. Two other key intermediates, 2-propenesulfinic acid and diallyl trisulfane S-oxide, have also been detected for the first time in volatiles from crushed garlic, along with allicin and related thiosulfinates, allyl alcohol, sulfur dioxide, propene, and pyruvate as coproducts. A commercial dietary supplement containing garlic powder, which was sampled after crushing, was found to contain alliin, methiin, and S-allylcysteine and produced allicin upon addition of water. DART-MS detection of 1-butenesulfenic acid from the ornamental A. siculum is also reported. (Z)-Propanethial S-oxide (onion lachrymatory factor), absent in garlic, is found to be formed from crushed elephant garlic (Allium ampeloprasum), consistent with the classification of this plant as a closer relative of leek than of garlic. Mixtures of thiosulfinates, lachrymatory thial S-oxides, and related compounds are directly observed from crushed leek (Allium porrum) and Chinese chive (Allium tuberosum). Disulfanes and polysulfanes are detected only when the Allium samples are heated, consistent with earlier conclusions that these are not primary products from cut or crushed alliums.},\n\tnumber = {8},\n\tjournal = {Journal of Agricultural and Food Chemistry},\n\tauthor = {Block, E. and Dane, A.J. and Thomas, S. and Cody, R.B.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {4617--4625},\n}\n\n\n\n
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\n Through the use of direct analysis in real time mass spectrometry (DART-MS), 2-propenesulfenic acid, an intermediate long postulated as being formed when garlic (Allium sativum) is crushed, has been detected for the first time and determined by mass spectrometric methods to have a half-life of \\textless1 s at room temperature. Two other key intermediates, 2-propenesulfinic acid and diallyl trisulfane S-oxide, have also been detected for the first time in volatiles from crushed garlic, along with allicin and related thiosulfinates, allyl alcohol, sulfur dioxide, propene, and pyruvate as coproducts. A commercial dietary supplement containing garlic powder, which was sampled after crushing, was found to contain alliin, methiin, and S-allylcysteine and produced allicin upon addition of water. DART-MS detection of 1-butenesulfenic acid from the ornamental A. siculum is also reported. (Z)-Propanethial S-oxide (onion lachrymatory factor), absent in garlic, is found to be formed from crushed elephant garlic (Allium ampeloprasum), consistent with the classification of this plant as a closer relative of leek than of garlic. Mixtures of thiosulfinates, lachrymatory thial S-oxides, and related compounds are directly observed from crushed leek (Allium porrum) and Chinese chive (Allium tuberosum). Disulfanes and polysulfanes are detected only when the Allium samples are heated, consistent with earlier conclusions that these are not primary products from cut or crushed alliums.\n
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\n \n\n \n \n \n \n \n Recognition of beer brand based on multivariate analysis of volatile fingerprint.\n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1217(25): 4195–4203. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cajka_recognition_2010,\n\ttitle = {Recognition of beer brand based on multivariate analysis of volatile fingerprint},\n\tvolume = {1217},\n\tdoi = {10.1016/j.chroma.2009.12.049},\n\tabstract = {Automated head-space solid-phase microextraction (HS-SPME)-based sampling procedure, coupled to gas chromatography-time-of-flight mass spectrometry (GC-TOFMS), was developed and employed for obtaining of fingerprints (GC profiles) of beer volatiles. In total, 265 speciality beer samples were collected over a 1-year period with the aim to distinguish, based on analytical (profiling) data, (i) the beers labelled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. For the chemometric evaluation of the data, partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) were tested. The best prediction ability was obtained for the model that distinguished a group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided 100\\% correct classification. Slightly worse prediction abilities were achieved for the models "Trappist vs. non-Trappist beers" with the values of 93.9\\% (PLS-DA), 91.9\\% (LDA) and 97.0\\% (ANN-MLP) and "Rochefort 8 vs. the rest" with the values of 87.9\\% (PLS-DA) and 84.8\\% (LDA) and 93.9\\% (ANN-MLP). In addition to chromatographic profiling, also the potential of direct coupling of SPME (extraction/pre-concentration device) with high-resolution TOFMS employing a direct analysis in real time (DART) ion source has been demonstrated as a challenging profiling approach.},\n\tnumber = {25},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Cajka, T. and Riddellova, K. and Tomaniova, M. and Hajslova, J.},\n\tyear = {2010},\n\tkeywords = {DART; AccuTOF},\n\tpages = {4195--4203},\n}\n\n\n\n
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\n Automated head-space solid-phase microextraction (HS-SPME)-based sampling procedure, coupled to gas chromatography-time-of-flight mass spectrometry (GC-TOFMS), was developed and employed for obtaining of fingerprints (GC profiles) of beer volatiles. In total, 265 speciality beer samples were collected over a 1-year period with the aim to distinguish, based on analytical (profiling) data, (i) the beers labelled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. For the chemometric evaluation of the data, partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) were tested. The best prediction ability was obtained for the model that distinguished a group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided 100% correct classification. Slightly worse prediction abilities were achieved for the models \"Trappist vs. non-Trappist beers\" with the values of 93.9% (PLS-DA), 91.9% (LDA) and 97.0% (ANN-MLP) and \"Rochefort 8 vs. the rest\" with the values of 87.9% (PLS-DA) and 84.8% (LDA) and 93.9% (ANN-MLP). In addition to chromatographic profiling, also the potential of direct coupling of SPME (extraction/pre-concentration device) with high-resolution TOFMS employing a direct analysis in real time (DART) ion source has been demonstrated as a challenging profiling approach.\n
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\n \n\n \n \n \n \n \n An ultra superfast identification of low-molecular components of pharmaceuticals by DART mass spectrometry.\n \n \n \n\n\n \n Chernetsova, E.; Bochkov, P.; Ovcharov, M.; Zatonskii, G.; and Abramovich, R.\n\n\n \n\n\n\n Journal of Analytical Chemistry, 65(14): 1537–1539. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_ultra_2010,\n\ttitle = {An ultra superfast identification of low-molecular components of pharmaceuticals by {DART} mass spectrometry},\n\tvolume = {65},\n\tnumber = {14},\n\tjournal = {Journal of Analytical Chemistry},\n\tauthor = {Chernetsova, E.S. and Bochkov, P.O. and Ovcharov, M.V. and Zatonskii, G.V. and Abramovich, R.A.},\n\tyear = {2010},\n\tkeywords = {DART; AccuTOF},\n\tpages = {1537--1539},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n The use of DART mass spectrometry for express confirmation of empirical formulas of heterocyclic compounds.\n \n \n \n\n\n \n Chernetsova, E.; Ovcharov, M.; Khomyakov, Y. Y.; Bochkov, P.; and Varlamov, A.\n\n\n \n\n\n\n Russian Chemical Bulletin, 59(10): 2014–2015. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_use_2010,\n\ttitle = {The use of {DART} mass spectrometry for express confirmation of empirical formulas of heterocyclic compounds},\n\tvolume = {59},\n\tabstract = {The results of studying the possibility of using DART spectrometry with a time-of-flight mass analyzer to confirm the elemental composition of heterocyclic compounds are presented. The method makes it possible to rapidly determine the molecular weight and to calculate the empirical formula of organic synthesis product.},\n\tnumber = {10},\n\tjournal = {Russian Chemical Bulletin},\n\tauthor = {Chernetsova, E.S. and Ovcharov, M.V. and Khomyakov, Yu. Yu. and Bochkov, P.O. and Varlamov, A.V.},\n\tyear = {2010},\n\tkeywords = {DART mass spectrometry; heterocyclic compounds; AccuTOF},\n\tpages = {2014--2015},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The results of studying the possibility of using DART spectrometry with a time-of-flight mass analyzer to confirm the elemental composition of heterocyclic compounds are presented. The method makes it possible to rapidly determine the molecular weight and to calculate the empirical formula of organic synthesis product.\n
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\n \n\n \n \n \n \n \n \n Transmission-mode direct analysis in real time and desorption electrospray ionization mass spectrometry of insecticide-treated bednets for malaria control.\n \n \n \n \n\n\n \n Perez, J. J.; Harris, G. A.; Chipuk, J. E.; Brodbelt, J. S.; Green, M. D.; Hampton, C. Y.; and Fernandez, F. M.\n\n\n \n\n\n\n Analyst, 135(4): 712–719. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"Transmission-modePaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{perez_transmission-mode_2010,\n\ttitle = {Transmission-mode direct analysis in real time and desorption electrospray ionization mass spectrometry of insecticide-treated bednets for malaria control},\n\tvolume = {135},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/B924533B},\n\tabstract = {Transmission-mode direct analysis in real time (TM-DART) is presented as an alternative sampling strategy to traditional methods of sample introduction for DART MS analysis. A custom-designed sample holder was fabricated to rapidly and reproducibly position insecticide-treated nets normal to the ionizing metastable gas stream, enabling transmission of desorbed analyte ions through the holder cavity and into the MS. Introduction of the sample at this fixed geometry eliminates the need for optimizing sample position and allows spectra based on factors such as metastable gas temperature and flow to be systematically evaluated. The results presented here, supported by computational fluid dynamic simulations, demonstrate the effects of these factors on the resulting mass spectra and the potential of this sampling strategy to be used for qualitative and quantitative analyses. Transmission-mode desorption electrospray ionization (TM-DESI) experiments on similar insecticide-treated nets were performed for comparison purposes.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Perez, Jose J. and Harris, Glenn A. and Chipuk, Joseph E. and Brodbelt, Jennifer S. and Green, Michael D. and Hampton, Christina Y. and Fernandez, Facundo M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {712--719},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Transmission-mode direct analysis in real time (TM-DART) is presented as an alternative sampling strategy to traditional methods of sample introduction for DART MS analysis. A custom-designed sample holder was fabricated to rapidly and reproducibly position insecticide-treated nets normal to the ionizing metastable gas stream, enabling transmission of desorbed analyte ions through the holder cavity and into the MS. Introduction of the sample at this fixed geometry eliminates the need for optimizing sample position and allows spectra based on factors such as metastable gas temperature and flow to be systematically evaluated. The results presented here, supported by computational fluid dynamic simulations, demonstrate the effects of these factors on the resulting mass spectra and the potential of this sampling strategy to be used for qualitative and quantitative analyses. Transmission-mode desorption electrospray ionization (TM-DESI) experiments on similar insecticide-treated nets were performed for comparison purposes.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of additives in poly(vinyl chloride) lid gaskets by direct analysis in real time ionisation and single-quadrupole mass spectrometry.\n \n \n \n \n\n\n \n Rothenbacher, T.; and Schwack, W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(1): 21–29. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{rothenbacher_rapid_2010,\n\ttitle = {Rapid identification of additives in poly(vinyl chloride) lid gaskets by direct analysis in real time ionisation and single-quadrupole mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4350},\n\tdoi = {10.1002/rcm.4350},\n\tabstract = {Gaskets for lids of glass jars usually consist of poly(vinyl chloride) (PVC) containing plasticisers and additional additives, which may migrate into packed foodstuffs. To conform to legal regulations, any such migration has to be determined analytically, which is a big challenge due to the huge chemical variety of additives in use. Therefore, a rapid screening method by means of direct analysis in real time mass spectrometry (DART-MS), using a single-quadrupole mass spectrometer, was developed. On introducing a plastisol sample into the DART interface, protonated molecules and ammonium adducts were obtained as the typical ionisation products of any additives present, and cleavages of ester bonds as typical fragmentation processes. Generally, additives present in the 1\\% range could be directly and easily identified if ion suppressive effects deriving from specific molecules did not occur. These effects could be avoided by analysing toluene extracts of plastisol samples, and this also improved the sensivity. Using this method, it was possible to identify phthalates, fatty acid amides, tributyl O-acetylcitrate, dibutyl sebacate, bis(2-ethylhexyl) adipate, 1,2-diisononyl 1,2-cyclohexanedicarboxylate, and even more complex additives like acetylated mono- and diacylglycerides, epoxidised soybean oil, and polyadipates, with a limit of detection of ≤1\\% in PVC plastisols. Only in the case of epoxidised linseed oil were levels of ≥5\\% required for identification. The detection of azodicarbonamide, used as a foaming agent within the manufacturing process, was possible in principle, but was not highly reproducible due to the very low concentrations in plastisols. Copyright © 2009 John Wiley \\& Sons, Ltd.},\n\tnumber = {1},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rothenbacher, Thorsten and Schwack, Wolfgang},\n\tyear = {2010},\n\tkeywords = {Agilent Quad},\n\tpages = {21--29},\n}\n\n\n\n
\n
\n\n\n
\n Gaskets for lids of glass jars usually consist of poly(vinyl chloride) (PVC) containing plasticisers and additional additives, which may migrate into packed foodstuffs. To conform to legal regulations, any such migration has to be determined analytically, which is a big challenge due to the huge chemical variety of additives in use. Therefore, a rapid screening method by means of direct analysis in real time mass spectrometry (DART-MS), using a single-quadrupole mass spectrometer, was developed. On introducing a plastisol sample into the DART interface, protonated molecules and ammonium adducts were obtained as the typical ionisation products of any additives present, and cleavages of ester bonds as typical fragmentation processes. Generally, additives present in the 1% range could be directly and easily identified if ion suppressive effects deriving from specific molecules did not occur. These effects could be avoided by analysing toluene extracts of plastisol samples, and this also improved the sensivity. Using this method, it was possible to identify phthalates, fatty acid amides, tributyl O-acetylcitrate, dibutyl sebacate, bis(2-ethylhexyl) adipate, 1,2-diisononyl 1,2-cyclohexanedicarboxylate, and even more complex additives like acetylated mono- and diacylglycerides, epoxidised soybean oil, and polyadipates, with a limit of detection of ≤1% in PVC plastisols. Only in the case of epoxidised linseed oil were levels of ≥5% required for identification. The detection of azodicarbonamide, used as a foaming agent within the manufacturing process, was possible in principle, but was not highly reproducible due to the very low concentrations in plastisols. Copyright © 2009 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n A Rapid Technique for the Confirmation of Iodine and Red Phosphorus Using Direct Analysis in Real Time and Accurate Mass Spectrometry.\n \n \n \n\n\n \n Steiner, R. R\n\n\n \n\n\n\n Microgram J, 7(1): 3–6. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{steiner_rapid_2010,\n\ttitle = {A {Rapid} {Technique} for the {Confirmation} of {Iodine} and {Red} {Phosphorus} {Using} {Direct} {Analysis} in {Real} {Time} and {Accurate} {Mass} {Spectrometry}},\n\tvolume = {7},\n\tabstract = {Iodine and red phosphorus are chemicals commonly seen in clandestine methamphetamine laboratories. Current analytical methods used for the confirmation of these chemicals include FTIR and GC/MS, usually after a derivatization or reaction with other compounds. X-ray diffraction and scanning electron microscope-energy dispersive x-ray analysis are also used to confirm these chemicals, but all of these techniques tend to be time-consuming or produce poisonous products. A novel technique, using the JEOL-IonSense AccuTOF-DART system, has been developed which yields accurate mass spectra usually in less than ten minutes of analysis time, with no sample preparation.},\n\tnumber = {1},\n\tjournal = {Microgram J},\n\tauthor = {Steiner, Robert R},\n\tyear = {2010},\n\tpages = {3--6},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Iodine and red phosphorus are chemicals commonly seen in clandestine methamphetamine laboratories. Current analytical methods used for the confirmation of these chemicals include FTIR and GC/MS, usually after a derivatization or reaction with other compounds. X-ray diffraction and scanning electron microscope-energy dispersive x-ray analysis are also used to confirm these chemicals, but all of these techniques tend to be time-consuming or produce poisonous products. A novel technique, using the JEOL-IonSense AccuTOF-DART system, has been developed which yields accurate mass spectra usually in less than ten minutes of analysis time, with no sample preparation.\n
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\n \n\n \n \n \n \n \n \n Small Molecule Ambient Mass Spectrometry Imaging by Infrared Laser Ablation Metastable-Induced Chemical Ionization.\n \n \n \n \n\n\n \n Galhena, A. S.; Harris, G. A.; Nyadong, L.; Murray, K. K.; and Fernández, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 82(6): 2178–2181. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"SmallPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{galhena_small_2010,\n\ttitle = {Small {Molecule} {Ambient} {Mass} {Spectrometry} {Imaging} by {Infrared} {Laser} {Ablation} {Metastable}-{Induced} {Chemical} {Ionization}},\n\tvolume = {82},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac902905v},\n\tdoi = {10.1021/ac902905v},\n\tabstract = {Presented here is a novel ambient ion source termed infrared laser ablation metastable-induced chemical ionization (IR-LAMICI). IR-LAMICI integrates IR laser ablation and direct analysis in real time (DART)-type metastable-induced chemical ionization for open air mass spectrometry (MS) ionization. The ion generation in the IR-LAMICI source is a two step process. First, IR laser pulses impinge the sample surface ablating surface material. Second, a portion of ablated material reacts with the metastable reactive plume facilitating gas-phase chemical ionization of analyte molecules generating protonated or deprotonated species in positive and negative ion modes, respectively. The successful coupling of IR-laser ablation with metastable-induced chemical ionization resulted in an ambient plasma-based spatially resolved small molecule imaging platform for mass spectrometry (MS). The analytical capabilities of IR-LAMICI are explored by imaging pharmaceutical tablets, screening counterfeit drugs, and probing algal tissue surfaces for natural products. The resolution of a chemical image is determined by the crater size produced with each laser pulse but not by the size of the metastable gas jet. The detection limits for an active pharmaceutical ingredient (acetaminophen) using the IR-LAMICI source is calculated to be low picograms. Furthermore, three-dimensional computational fluid dynamic simulations showed improvements in the IR-LAMICI ion source are possible.},\n\tnumber = {6},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Galhena, Asiri S. and Harris, Glenn A. and Nyadong, Leonard and Murray, Kermit K. and Fernández, Facundo M.},\n\tyear = {2010},\n\tkeywords = {Thermo Ion Trap},\n\tpages = {2178--2181},\n}\n\n\n\n
\n
\n\n\n
\n Presented here is a novel ambient ion source termed infrared laser ablation metastable-induced chemical ionization (IR-LAMICI). IR-LAMICI integrates IR laser ablation and direct analysis in real time (DART)-type metastable-induced chemical ionization for open air mass spectrometry (MS) ionization. The ion generation in the IR-LAMICI source is a two step process. First, IR laser pulses impinge the sample surface ablating surface material. Second, a portion of ablated material reacts with the metastable reactive plume facilitating gas-phase chemical ionization of analyte molecules generating protonated or deprotonated species in positive and negative ion modes, respectively. The successful coupling of IR-laser ablation with metastable-induced chemical ionization resulted in an ambient plasma-based spatially resolved small molecule imaging platform for mass spectrometry (MS). The analytical capabilities of IR-LAMICI are explored by imaging pharmaceutical tablets, screening counterfeit drugs, and probing algal tissue surfaces for natural products. The resolution of a chemical image is determined by the crater size produced with each laser pulse but not by the size of the metastable gas jet. The detection limits for an active pharmaceutical ingredient (acetaminophen) using the IR-LAMICI source is calculated to be low picograms. Furthermore, three-dimensional computational fluid dynamic simulations showed improvements in the IR-LAMICI ion source are possible.\n
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\n \n\n \n \n \n \n \n \n Ricin Activity Assay by Direct Analysis in Real Time Mass Spectrometry Detection of Adenine Release.\n \n \n \n \n\n\n \n Bevilacqua, V. L. H.; Nilles, J. M.; Rice, J. S.; Connell, T. R.; Schenning, A. M.; Reilly, L. M.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 82(3): 798–800. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RicinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{bevilacqua_ricin_2010,\n\ttitle = {Ricin {Activity} {Assay} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} {Detection} of {Adenine} {Release}},\n\tvolume = {82},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac9025972},\n\tdoi = {10.1021/ac9025972},\n\tabstract = {Biotoxin activity assays typically involve multistep sample preparation, multicomponent reactions, multistep analysis, or a combination thereof. We report a single-step, real-time ricin activity assay that requires little or no sample preparation and employs direct analysis in real time mass spectrometry. The release of adenine from the inhomogeneous substrate herring sperm DNA by ricin was determined to be 53 ± 2 pmol adenine per picomole of ricin per hour. This procedure can be readily adapted to any enzyme for which a reactant or product of low molecular weight (up to ∼600) can be identified.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Bevilacqua, Vicky L. H. and Nilles, J. Michael and Rice, Jeffrey S. and Connell, Theresa R. and Schenning, Amanda M. and Reilly, Lisa M. and Durst, H. Dupont},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {798--800},\n}\n\n\n\n
\n
\n\n\n
\n Biotoxin activity assays typically involve multistep sample preparation, multicomponent reactions, multistep analysis, or a combination thereof. We report a single-step, real-time ricin activity assay that requires little or no sample preparation and employs direct analysis in real time mass spectrometry. The release of adenine from the inhomogeneous substrate herring sperm DNA by ricin was determined to be 53 ± 2 pmol adenine per picomole of ricin per hour. This procedure can be readily adapted to any enzyme for which a reactant or product of low molecular weight (up to ∼600) can be identified.\n
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\n \n\n \n \n \n \n \n \n The coupling of direct analysis in real time ionization to Fourier transform ion cyclotron resonance mass spectrometry for ultrahigh-resolution mass analysis.\n \n \n \n \n\n\n \n Rummel, J. L.; McKenna, A. M.; Marshall, A. G.; Eyler, J. R.; and Powell, D. H.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(6): 784–790. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{rummel_coupling_2010,\n\ttitle = {The coupling of direct analysis in real time ionization to {Fourier} transform ion cyclotron resonance mass spectrometry for ultrahigh-resolution mass analysis},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4450},\n\tdoi = {10.1002/rcm.4450},\n\tabstract = {Direct Analysis in Real Time (DART) is an ambient ionization technique for mass spectrometry that provides rapid and sensitive analyses with little or no sample preparation. DART has been reported primarily for mass analyzers of low to moderate resolving power such as quadrupole ion traps and time-of-flight (TOF) mass spectrometers. In the current work, a custom-built DART source has been successfully coupled to two different Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers for the first time. Comparison of spectra of the isobaric compounds, diisopropyl methylphosphonate and theophylline, acquired by 4.7 T FT-ICR MS and TOF MS, demonstrates that the TOF resolving power can be insufficient for compositionally complex samples. 9.4 T FT-ICR MS yielded the highest mass resolving power yet reported with DART ionization for 1,2-benzanthracene and 9,10-diphenylanthracene. Polycyclic aromatic hydrocarbons exhibit a spatial dependence in ionization mechanisms between the DART source and the mass spectrometer. The feasibility of analyzing a variety of samples was established with the introduction and analysis of food products and crude oil samples. DART FT-ICR MS provides complex sample analysis that is rapid, highly selective and information-rich, but limited to relatively low-mass analytes. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {6},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rummel, Julia L. and McKenna, Amy M. and Marshall, Alan G. and Eyler, John R. and Powell, David H.},\n\tyear = {2010},\n\tkeywords = {FT-ICR},\n\tpages = {784--790},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART) is an ambient ionization technique for mass spectrometry that provides rapid and sensitive analyses with little or no sample preparation. DART has been reported primarily for mass analyzers of low to moderate resolving power such as quadrupole ion traps and time-of-flight (TOF) mass spectrometers. In the current work, a custom-built DART source has been successfully coupled to two different Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers for the first time. Comparison of spectra of the isobaric compounds, diisopropyl methylphosphonate and theophylline, acquired by 4.7 T FT-ICR MS and TOF MS, demonstrates that the TOF resolving power can be insufficient for compositionally complex samples. 9.4 T FT-ICR MS yielded the highest mass resolving power yet reported with DART ionization for 1,2-benzanthracene and 9,10-diphenylanthracene. Polycyclic aromatic hydrocarbons exhibit a spatial dependence in ionization mechanisms between the DART source and the mass spectrometer. The feasibility of analyzing a variety of samples was established with the introduction and analysis of food products and crude oil samples. DART FT-ICR MS provides complex sample analysis that is rapid, highly selective and information-rich, but limited to relatively low-mass analytes. Copyright © 2010 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Ambient Pressure Desorption Ionization Mass Spectrometry in Support of Preclinical Pharmaceutical Development.\n \n \n \n \n\n\n \n Helmy, R.; Schafer, W.; Buhler, L.; Marcinko, S.; Musselman, B.; Guidry, E.; Jenkins, H.; Fleitz, F.; and Welch, C. J.\n\n\n \n\n\n\n Organic Process Research & Development, 14(2): 386–392. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{helmy_ambient_2010,\n\ttitle = {Ambient {Pressure} {Desorption} {Ionization} {Mass} {Spectrometry} in {Support} of {Preclinical} {Pharmaceutical} {Development}},\n\tvolume = {14},\n\tissn = {1083-6160, 1520-586X},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/op9002938},\n\tdoi = {10.1021/op9002938},\n\tabstract = {The use of ambient pressure desorption ionization mass spectrometry for the rapid analytical support of process and pharmaceutical development is demonstrated. The ability of direct analysis in real time (DART) technology to analyze both active pharmaceutical ingredients (APIs) and intermediates without sample preparation or the development of LC-based separations provided critical experimental results with minimal time required for method development. The utility and versatility of DART is shown for applications such as degradation studies, analysis of high-throughput catalyst screens, preparative-scale chromatography fractions, and impurity determination.},\n\tnumber = {2},\n\turldate = {2012-04-18},\n\tjournal = {Organic Process Research \\& Development},\n\tauthor = {Helmy, Roy and Schafer, Wes and Buhler, Leah and Marcinko, Stephen and Musselman, Brian and Guidry, Erin and Jenkins, Herb and Fleitz, Fred and Welch, Christopher J.},\n\tyear = {2010},\n\tkeywords = {Thermo LTQ},\n\tpages = {386--392},\n}\n\n\n\n
\n
\n\n\n
\n The use of ambient pressure desorption ionization mass spectrometry for the rapid analytical support of process and pharmaceutical development is demonstrated. The ability of direct analysis in real time (DART) technology to analyze both active pharmaceutical ingredients (APIs) and intermediates without sample preparation or the development of LC-based separations provided critical experimental results with minimal time required for method development. The utility and versatility of DART is shown for applications such as degradation studies, analysis of high-throughput catalyst screens, preparative-scale chromatography fractions, and impurity determination.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of stabilisers in polypropylene using time-of-flight mass spectrometry and DART as ion source.\n \n \n \n \n\n\n \n Haunschmidt, M.; Klampfl, C. W.; Buchberger, W.; and Hertsens, R.\n\n\n \n\n\n\n The Analyst, 135(1): 80. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_rapid_2010,\n\ttitle = {Rapid identification of stabilisers in polypropylene using time-of-flight mass spectrometry and {DART} as ion source},\n\tvolume = {135},\n\tissn = {0003-2654, 1364-5528},\n\turl = {http://xlink.rsc.org/?DOI=b911040b},\n\tdoi = {10.1039/b911040b},\n\tabstract = {A method for analysing plastic samples without any sample pretreatment using direct analysis in real time mass spectrometry (DART-MS) was developed. DART-MS allows the direct, simple and rapid identification of polymer additives in plastic products. To demonstrate the suitability of DART-MS for the detection of a wide range of commonly employed stabilising agents, a test set of 21 stabilisers was selected. In a first step standard solutions of these stabilisers in toluene as well as toluene-extracts from polymer samples were analysed. Subsequently, to prove the applicability of the developed DART-MS method also for the direct analysis of plastic products, samples of polypropylene containing a range of stabilisers were prepared using a lab-scale compounder. Polymer samples were cut into 0.5 cm wide pieces and directly placed into the DART ion source. Focusing on the DART ionisation, several parameters like discharge needle potential, potential of the grid electrode and the discharge electrode, the heater temperature and the gas flow had to be varied to guarantee optimum results. Both positive and negative ionisation was tested, whereby the positive ion mode led to higher signal intensities for all analytes. Determination of accurate masses to improve the certainty in signal assignment could be achieved by using PEG 600 as an internal standard for mass calibration. The developed method allowed the detection of all selected additives (including some of their degradation products) in real polymer samples.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {The Analyst},\n\tauthor = {Haunschmidt, Manuela and Klampfl, Christian W. and Buchberger, Wolfgang and Hertsens, Robert},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {80},\n}\n\n\n\n
\n
\n\n\n
\n A method for analysing plastic samples without any sample pretreatment using direct analysis in real time mass spectrometry (DART-MS) was developed. DART-MS allows the direct, simple and rapid identification of polymer additives in plastic products. To demonstrate the suitability of DART-MS for the detection of a wide range of commonly employed stabilising agents, a test set of 21 stabilisers was selected. In a first step standard solutions of these stabilisers in toluene as well as toluene-extracts from polymer samples were analysed. Subsequently, to prove the applicability of the developed DART-MS method also for the direct analysis of plastic products, samples of polypropylene containing a range of stabilisers were prepared using a lab-scale compounder. Polymer samples were cut into 0.5 cm wide pieces and directly placed into the DART ion source. Focusing on the DART ionisation, several parameters like discharge needle potential, potential of the grid electrode and the discharge electrode, the heater temperature and the gas flow had to be varied to guarantee optimum results. Both positive and negative ionisation was tested, whereby the positive ion mode led to higher signal intensities for all analytes. Determination of accurate masses to improve the certainty in signal assignment could be achieved by using PEG 600 as an internal standard for mass calibration. The developed method allowed the detection of all selected additives (including some of their degradation products) in real polymer samples.\n
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\n \n\n \n \n \n \n \n \n Identification of marker compounds in herbal drugs on TLC with DART-MS.\n \n \n \n \n\n\n \n Kim, H. J.; Jee, E. H.; Ahn, K. S.; Choi, H. S.; and Jang, Y. P.\n\n\n \n\n\n\n Archives of Pharmacal Research, 33(9): 1355–1359. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_identification_2010,\n\ttitle = {Identification of marker compounds in herbal drugs on {TLC} with {DART}-{MS}},\n\tvolume = {33},\n\tissn = {0253-6269, 1976-3786},\n\turl = {http://www.springerlink.com/index/10.1007/s12272-010-0909-7},\n\tdoi = {10.1007/s12272-010-0909-7},\n\tabstract = {This study was conducted to provide a more versatile and specific information on Thin Layer Chromatographic (TLC) analysis of medicinal plants. TLC plates developed with the extract of herbal medicines were analyzed with direct analysis in real time (DART) ion source. Three well known herbal drugs were extracted and developed on a silica-coated TLC plate with the conditions pre-established in Korean Pharmacopoeia IX. The developed plate was placed between the DART ion source and TOF-MS analyzer to get real time mass spectra from the bands on the TLC plate directly. The marker coumarin compounds, decursin and decursinol were successfully identified from the TLC plate developed with Angelicae gigantis radix, along with alkaloid compounds of rutaecarpine and evodiamine from Evodiae fructus, and lignan molecules of gomisin A, N, and schisandrin from Schisandrae fructus. This hyphenation system of TLC and DART-MS could provide unique and specific information on the major constituents of crude plant drug on TLC through uncovering high resolution mass number of each band on the TLC plate directly in real time.},\n\tnumber = {9},\n\turldate = {2012-04-18},\n\tjournal = {Archives of Pharmacal Research},\n\tauthor = {Kim, Hye Jin and Jee, Eun Hye and Ahn, Kwang Sung and Choi, Hyo Sook and Jang, Young Pyo},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1355--1359},\n}\n\n\n\n
\n
\n\n\n
\n This study was conducted to provide a more versatile and specific information on Thin Layer Chromatographic (TLC) analysis of medicinal plants. TLC plates developed with the extract of herbal medicines were analyzed with direct analysis in real time (DART) ion source. Three well known herbal drugs were extracted and developed on a silica-coated TLC plate with the conditions pre-established in Korean Pharmacopoeia IX. The developed plate was placed between the DART ion source and TOF-MS analyzer to get real time mass spectra from the bands on the TLC plate directly. The marker coumarin compounds, decursin and decursinol were successfully identified from the TLC plate developed with Angelicae gigantis radix, along with alkaloid compounds of rutaecarpine and evodiamine from Evodiae fructus, and lignan molecules of gomisin A, N, and schisandrin from Schisandrae fructus. This hyphenation system of TLC and DART-MS could provide unique and specific information on the major constituents of crude plant drug on TLC through uncovering high resolution mass number of each band on the TLC plate directly in real time.\n
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\n \n\n \n \n \n \n \n \n Optimization of a direct analysis in real time/time-of-flight mass spectrometry method for rapid serum metabolomic fingerprinting.\n \n \n \n \n\n\n \n Zhou, M.; McDonald, J. F.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(1): 68–75. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhou_optimization_2010,\n\ttitle = {Optimization of a direct analysis in real time/time-of-flight mass spectrometry method for rapid serum metabolomic fingerprinting},\n\tvolume = {21},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://www.springerlink.com/index/10.1016/j.jasms.2009.09.004},\n\tdoi = {10.1016/j.jasms.2009.09.004},\n\tabstract = {Metabolomic fingerprinting of bodily fluids can reveal the underlying causes of metabolic disorders associated with many diseases, and has thus been recognized as a potential tool for disease diagnosis and prognosis following therapy. Here we report a rapid approach in which direct analysis in real time (DART) coupled with time-of-flight (TOF) mass spectrometry (MS) and hybrid quadrupole TOF (Q-TOF) MS is used as a means for metabolomic fingerprinting of human serum. In this approach, serum samples are first treated to precipitate proteins, and the volatility of the remaining metabolites increased by derivatization, followed by DART MS analysis. Maximum DART MS performance was obtained by optimizing instrumental parameters such as ionizing gas temperature and flow rate for the analysis of identical aliquots of a healthy human serum samples. These variables were observed to have a significant effect on the overall mass range of the metabolites detected as well as the signal-to-noise ratios in DART mass spectra. Each DART run requires only 1.2 min, during which more than 1500 different spectral features are observed in a time-dependent fashion. A repeatability of 4.1\\% to 4.5\\% was obtained for the total ion signal using a manual sampling arm. With the appealing features of high-throughput, lack of memory effects, and simplicity, DART MS has shown potential to become an invaluable tool for metabolomic fingerprinting.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Zhou, Manshui and McDonald, John F. and Fernández, Facundo M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {68--75},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Metabolomic fingerprinting of bodily fluids can reveal the underlying causes of metabolic disorders associated with many diseases, and has thus been recognized as a potential tool for disease diagnosis and prognosis following therapy. Here we report a rapid approach in which direct analysis in real time (DART) coupled with time-of-flight (TOF) mass spectrometry (MS) and hybrid quadrupole TOF (Q-TOF) MS is used as a means for metabolomic fingerprinting of human serum. In this approach, serum samples are first treated to precipitate proteins, and the volatility of the remaining metabolites increased by derivatization, followed by DART MS analysis. Maximum DART MS performance was obtained by optimizing instrumental parameters such as ionizing gas temperature and flow rate for the analysis of identical aliquots of a healthy human serum samples. These variables were observed to have a significant effect on the overall mass range of the metabolites detected as well as the signal-to-noise ratios in DART mass spectra. Each DART run requires only 1.2 min, during which more than 1500 different spectral features are observed in a time-dependent fashion. A repeatability of 4.1% to 4.5% was obtained for the total ion signal using a manual sampling arm. With the appealing features of high-throughput, lack of memory effects, and simplicity, DART MS has shown potential to become an invaluable tool for metabolomic fingerprinting.\n
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\n \n\n \n \n \n \n \n \n Explosives Detection Using Direct Analysis in Real Time (DART) Mass Spectrometry.\n \n \n \n \n\n\n \n Nilles, J. M.; Connell, T. R.; Stokes, S. T.; and Dupont Durst, H.\n\n\n \n\n\n\n Propellants, Explosives, Pyrotechnics, 35(5): 446–451. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ExplosivesPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nilles_explosives_2010,\n\ttitle = {Explosives {Detection} {Using} {Direct} {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry}},\n\tvolume = {35},\n\tissn = {07213115},\n\turl = {http://doi.wiley.com/10.1002/prep.200900084},\n\tdoi = {10.1002/prep.200900084},\n\tabstract = {The growing use of explosives by terrorists and criminals creates a need for instrumentation which can rapidly analyze these energetic compounds, preferably on site. Direct analysis in real time (DART) is a promising technology for surface analysis with little or no sample preparation. Therefore, DART ionization is evaluated for use in detecting explosives on solid substrates and in liquid matrices. Fifteen explosives were chosen as a consequence of their common usage. Five surfaces were chosen to represent a wide range of physical properties such as composition, porosity, surface morphology, and thermal and electrical conductivity. Additionally these surfaces are commonly found in everyday surroundings. All 75 compound-surface combinations produced a clear, easily identifiable, mass spectra characteristic of the targeted analyte. Simultaneous detection of five explosives is demonstrated on these same surfaces. Lastly, rapid detection of trace contamination in common fluids is also explored.},\n\tnumber = {5},\n\turldate = {2012-04-18},\n\tjournal = {Propellants, Explosives, Pyrotechnics},\n\tauthor = {Nilles, J. Michael and Connell, Theresa R. and Stokes, Sarah T. and Dupont Durst, H.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {446--451},\n}\n\n\n\n
\n
\n\n\n
\n The growing use of explosives by terrorists and criminals creates a need for instrumentation which can rapidly analyze these energetic compounds, preferably on site. Direct analysis in real time (DART) is a promising technology for surface analysis with little or no sample preparation. Therefore, DART ionization is evaluated for use in detecting explosives on solid substrates and in liquid matrices. Fifteen explosives were chosen as a consequence of their common usage. Five surfaces were chosen to represent a wide range of physical properties such as composition, porosity, surface morphology, and thermal and electrical conductivity. Additionally these surfaces are commonly found in everyday surroundings. All 75 compound-surface combinations produced a clear, easily identifiable, mass spectra characteristic of the targeted analyte. Simultaneous detection of five explosives is demonstrated on these same surfaces. Lastly, rapid detection of trace contamination in common fluids is also explored.\n
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\n\n\n
\n \n\n \n \n \n \n \n \n DART mass spectrometry: a fast screening of solid pharmaceuticals for the presence of an active ingredient, as an alternative for IR spectroscopy.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Bochkov, P. O.; Ovcharov, M. V.; Zhokhov, S. S.; and Abramovich, R. A.\n\n\n \n\n\n\n Drug Testing and Analysis, 2(6): 292–294. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_dart_2010,\n\ttitle = {{DART} mass spectrometry: a fast screening of solid pharmaceuticals for the presence of an active ingredient, as an alternative for {IR} spectroscopy},\n\tvolume = {2},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.136},\n\tdoi = {10.1002/dta.136},\n\tabstract = {The application of DART as a choice analytical tool for rapid analysis of counterfeit pharmaceuticals is discussed. DART technology shows considerable promise for rapid, ‘investigator friendly’ studies of ingredients contained within pharmaceuticals. Its user friendly approach renders it as an attractive, rapid, labour saving tool in comparison to its traditional IR counterpart.},\n\tnumber = {6},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Chernetsova, Elena S. and Bochkov, Pavel O. and Ovcharov, Maxim V. and Zhokhov, Sergey S. and Abramovich, Rimma A.},\n\tyear = {2010},\n\tpages = {292--294},\n}\n\n\n\n
\n
\n\n\n
\n The application of DART as a choice analytical tool for rapid analysis of counterfeit pharmaceuticals is discussed. DART technology shows considerable promise for rapid, ‘investigator friendly’ studies of ingredients contained within pharmaceuticals. Its user friendly approach renders it as an attractive, rapid, labour saving tool in comparison to its traditional IR counterpart.\n
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\n \n\n \n \n \n \n \n \n Analysis of multiple mycotoxins in beer employing (ultra)-high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Zachariasova, M.; Cajka, T.; Godula, M.; Malachova, A.; Veprikova, Z.; and Hajslova, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(22): 3357–3367. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zachariasova_analysis_2010,\n\ttitle = {Analysis of multiple mycotoxins in beer employing (ultra)-high-resolution mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4746},\n\tdoi = {10.1002/rcm.4746},\n\tabstract = {The objective of the presented study was to develop and optimize a simple, high-throughput method for the control of 32 mycotoxins (Fusarium and Alternaria toxins, aflatoxins, ergot alkaloids, ochratoxins, and sterigmatocystin) in beer. Due to the broad range of their physicochemical properties, the sample preparation step was simplified as much as possible to avoid analyte losses. The addition of acetonitrile to beer samples enabled precipitation of abundant matrix components. The clean-up efficiency was controlled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source. For determination of analytes, ultra-high-performance liquid chromatography hyphenated with high-resolution mass spectrometry utilizing an orbitrap (U-HPLC–orbitrapMS) or time-of-flight (TOFMS) technology was used. Because of significantly better detection capabilities of the orbitrap technology, the U-HPLC–orbitrapMS method was chosen as a determinative step and fully validated. To compensate matrix effects, matrix-matched calibration was employed. The lowest calibration levels for most of the target mycotoxins ranged from 1 to 8 µg L−1 beer and the recoveries of analytes were in range from 86 to 124\\%. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {22},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Zachariasova, Milena and Cajka, Tomas and Godula, Michal and Malachova, Alexandra and Veprikova, Zdenka and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Orbitrap},\n\tpages = {3357--3367},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The objective of the presented study was to develop and optimize a simple, high-throughput method for the control of 32 mycotoxins (Fusarium and Alternaria toxins, aflatoxins, ergot alkaloids, ochratoxins, and sterigmatocystin) in beer. Due to the broad range of their physicochemical properties, the sample preparation step was simplified as much as possible to avoid analyte losses. The addition of acetonitrile to beer samples enabled precipitation of abundant matrix components. The clean-up efficiency was controlled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source. For determination of analytes, ultra-high-performance liquid chromatography hyphenated with high-resolution mass spectrometry utilizing an orbitrap (U-HPLC–orbitrapMS) or time-of-flight (TOFMS) technology was used. Because of significantly better detection capabilities of the orbitrap technology, the U-HPLC–orbitrapMS method was chosen as a determinative step and fully validated. To compensate matrix effects, matrix-matched calibration was employed. The lowest calibration levels for most of the target mycotoxins ranged from 1 to 8 µg L−1 beer and the recoveries of analytes were in range from 86 to 124%. Copyright © 2010 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n The coupling of direct analysis in real time ionization to Fourier transform ion cyclotron resonance mass spectrometry for ultrahigh-resolution mass analysis.\n \n \n \n \n\n\n \n Rummel, J. L.; McKenna, A. M.; Marshall, A. G.; Eyler, J. R.; and Powell, D. H.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(6): 784–790. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{rummel_coupling_2010,\n\ttitle = {The coupling of direct analysis in real time ionization to {Fourier} transform ion cyclotron resonance mass spectrometry for ultrahigh-resolution mass analysis},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4450},\n\tdoi = {10.1002/rcm.4450},\n\tabstract = {Direct Analysis in Real Time (DART) is an ambient ionization technique for mass spectrometry that provides rapid and sensitive analyses with little or no sample preparation. DART has been reported primarily for mass analyzers of low to moderate resolving power such as quadrupole ion traps and time-of-flight (TOF) mass spectrometers. In the current work, a custom-built DART source has been successfully coupled to two different Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers for the first time. Comparison of spectra of the isobaric compounds, diisopropyl methylphosphonate and theophylline, acquired by 4.7 T FT-ICR MS and TOF MS, demonstrates that the TOF resolving power can be insufficient for compositionally complex samples. 9.4 T FT-ICR MS yielded the highest mass resolving power yet reported with DART ionization for 1,2-benzanthracene and 9,10-diphenylanthracene. Polycyclic aromatic hydrocarbons exhibit a spatial dependence in ionization mechanisms between the DART source and the mass spectrometer. The feasibility of analyzing a variety of samples was established with the introduction and analysis of food products and crude oil samples. DART FT-ICR MS provides complex sample analysis that is rapid, highly selective and information-rich, but limited to relatively low-mass analytes. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {6},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rummel, Julia L. and McKenna, Amy M. and Marshall, Alan G. and Eyler, John R. and Powell, David H.},\n\tyear = {2010},\n\tkeywords = {FT-ICR},\n\tpages = {784--790},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART) is an ambient ionization technique for mass spectrometry that provides rapid and sensitive analyses with little or no sample preparation. DART has been reported primarily for mass analyzers of low to moderate resolving power such as quadrupole ion traps and time-of-flight (TOF) mass spectrometers. In the current work, a custom-built DART source has been successfully coupled to two different Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers for the first time. Comparison of spectra of the isobaric compounds, diisopropyl methylphosphonate and theophylline, acquired by 4.7 T FT-ICR MS and TOF MS, demonstrates that the TOF resolving power can be insufficient for compositionally complex samples. 9.4 T FT-ICR MS yielded the highest mass resolving power yet reported with DART ionization for 1,2-benzanthracene and 9,10-diphenylanthracene. Polycyclic aromatic hydrocarbons exhibit a spatial dependence in ionization mechanisms between the DART source and the mass spectrometer. The feasibility of analyzing a variety of samples was established with the introduction and analysis of food products and crude oil samples. DART FT-ICR MS provides complex sample analysis that is rapid, highly selective and information-rich, but limited to relatively low-mass analytes. Copyright © 2010 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Determination of organic UV filters in water by stir bar sorptive extraction and direct analysis in real-time mass spectrometry.\n \n \n \n\n\n \n Haunschmidt, M.; Klampfl, C.; Buchberger, W.; and Hertsens, R.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 397(1): 269–275. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_determination_2010,\n\ttitle = {Determination of organic {UV} filters in water by stir bar sorptive extraction and direct analysis in real-time mass spectrometry},\n\tvolume = {397},\n\tdoi = {10.1007/s00216-009-3438-9},\n\tabstract = {A screening method for analyzing environmental waters contaminated with UV filters using direct analysis in real-time mass spectrometry (DART-MS) was developed. To demonstrate the suitability of DART-MS a test set of seven organic UV filters, namely benzophenone-3 (BP-3), ethylhexyl dimethyl p-aminobenzoate (OD-PABA), 4-t-butyl-4′-methoxydibenzoylmethane (BM-DBM), homomethyl salicylate (HMS), 2-(ethylhexyl) salicylate (EHS), octocrylene (OC), and 4-methylbenzylidene camphor (4-MBC), was defined. In the first step, standard solutions of the analytes prepared in methanol were investigated in order to determine optimum parameters for the DART-MS. Because of the very low concentrations of UV filters expected in environmental water samples, a pre-concentration step using stir bar sorptive extraction was performed. DART-MS allows the direct, simple and rapid semi-quantitative analysis of the analytes enriched on the surface of the polydimethylsiloxane-coated stir bars. The optimized method provided calibration curves with correlation coefficients R{\\textgreater}0.959, repeatability from 5\\% (for 4-MBC) to 30\\% (for BM-DBM) relative standard deviation and limits of detection lower than 40 ng L−1 for all analytes. Finally, real lake water samples from locations with typical leisure activities were analyzed. Results obtained with the developed DART-MS method were cross-checked by confirmatory analysis using thermodesorption gas chromatography mass spectrometry (TD-GC-MS). Thereby, it could be demonstrated that both analytical methods provide comparable concentrations for the UV filters in the lake water samples.},\n\tnumber = {1},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Haunschmidt, Manuela and Klampfl, Christian and Buchberger, Wolfgang and Hertsens, Robert},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {269--275},\n}\n\n\n\n
\n
\n\n\n
\n A screening method for analyzing environmental waters contaminated with UV filters using direct analysis in real-time mass spectrometry (DART-MS) was developed. To demonstrate the suitability of DART-MS a test set of seven organic UV filters, namely benzophenone-3 (BP-3), ethylhexyl dimethyl p-aminobenzoate (OD-PABA), 4-t-butyl-4′-methoxydibenzoylmethane (BM-DBM), homomethyl salicylate (HMS), 2-(ethylhexyl) salicylate (EHS), octocrylene (OC), and 4-methylbenzylidene camphor (4-MBC), was defined. In the first step, standard solutions of the analytes prepared in methanol were investigated in order to determine optimum parameters for the DART-MS. Because of the very low concentrations of UV filters expected in environmental water samples, a pre-concentration step using stir bar sorptive extraction was performed. DART-MS allows the direct, simple and rapid semi-quantitative analysis of the analytes enriched on the surface of the polydimethylsiloxane-coated stir bars. The optimized method provided calibration curves with correlation coefficients R\\textgreater0.959, repeatability from 5% (for 4-MBC) to 30% (for BM-DBM) relative standard deviation and limits of detection lower than 40 ng L−1 for all analytes. Finally, real lake water samples from locations with typical leisure activities were analyzed. Results obtained with the developed DART-MS method were cross-checked by confirmatory analysis using thermodesorption gas chromatography mass spectrometry (TD-GC-MS). Thereby, it could be demonstrated that both analytical methods provide comparable concentrations for the UV filters in the lake water samples.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry: a fast screening of solid pharmaceuticals for the presence of an active ingredient, as an alternative for IR spectroscopy.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Bochkov, P. O.; Ovcharov, M. V.; Zhokhov, S. S.; and Abramovich, R. A.\n\n\n \n\n\n\n Drug Testing and Analysis, 2(6): 292–294. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_dart_2010,\n\ttitle = {{DART} mass spectrometry: a fast screening of solid pharmaceuticals for the presence of an active ingredient, as an alternative for {IR} spectroscopy},\n\tvolume = {2},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.136},\n\tdoi = {10.1002/dta.136},\n\tabstract = {The application of DART as a choice analytical tool for rapid analysis of counterfeit pharmaceuticals is discussed. DART technology shows considerable promise for rapid, ‘investigator friendly’ studies of ingredients contained within pharmaceuticals. Its user friendly approach renders it as an attractive, rapid, labour saving tool in comparison to its traditional IR counterpart.},\n\tnumber = {6},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Chernetsova, Elena S. and Bochkov, Pavel O. and Ovcharov, Maxim V. and Zhokhov, Sergey S. and Abramovich, Rimma A.},\n\tyear = {2010},\n\tpages = {292--294},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The application of DART as a choice analytical tool for rapid analysis of counterfeit pharmaceuticals is discussed. DART technology shows considerable promise for rapid, ‘investigator friendly’ studies of ingredients contained within pharmaceuticals. Its user friendly approach renders it as an attractive, rapid, labour saving tool in comparison to its traditional IR counterpart.\n
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\n \n\n \n \n \n \n \n \n Bambusae Caulis in Taeniam extract reduces ovalbumin-induced airway inflammation and T helper 2 responses in mice.\n \n \n \n \n\n\n \n Ra, J.; Lee, S.; Kim, H.; Jang, Y.; Ahn, H.; and Kim, J.\n\n\n \n\n\n\n Journal of Ethnopharmacology, 128(1): 241–247. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"BambusaePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{ra_bambusae_2010,\n\ttitle = {Bambusae {Caulis} in {Taeniam} extract reduces ovalbumin-induced airway inflammation and {T} helper 2 responses in mice},\n\tvolume = {128},\n\turl = {http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6T8D-4Y5BMD1-B&_user=10&_coverDate=03%2F02%2F2010&_rdoc=1&_fmt=high&_orig=search&_sort=d&_docanchor=&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=4d40845f392128c88900870785447421},\n\tdoi = {10.1016/j.jep.2010.01.023},\n\tabstract = {Ethnopharmacological relevance Bambusae Caulis in Taeniam (BC) was known as traditional herbal medicine with anti-inflammatory property in the Orient. Aim of the study Allergic asthma is inflammatory disease of airways associated with enhanced T helper (Th) 2 lymphocytes responses to allergens, leading to eosinophilic infiltration and elevated serum IgE levels. Although there were some studies that BC extract had an anti-inflammatory property, there was no study on asthma. In present study, we investigated the suitability of BC extract as a therapeutic candidate in the treatment of allergic airway disease in ovalbumin-induced asthma model. Materials and methods Balb/C mice (female, 6 weeks old) were treated by ovalbumin sensitization and nebulization, and used as asthma model. The number of eosinophil in bronchoalveolar lavage (BAL) fluid and the degree of eosinophila were investigated by hematoxylin and eosin stain and the infiltration of inflammatory cells into lung tissues was examined by staining by hematoxylin and eosin solution. The levels of interleukin (IL)-4 in BAL fluid, immunoglobulin E (IgE) in serum, interferon (IFN)-γ and IL-4 production in splenocyte culture from Balb/C mice (not treated, 6 weeks old) that incubated with or without BC extract for 48 h were determined by enzyme-linked immunosorbent assay. Results The level of eosinophils was decreased by treatment of the animals with BC extract (40 mg/kg) and correspondingly, a significantly lowered degree of eosinophila was also reported (p {\\textless} 0.01). In lung tissue, BC extract reduced the increased immune cell infiltration induced by OVA (p {\\textless} 0.05). Furthermore, the levels of IL-4 and IgE in BAL fluid or serum up-regulated by OVA was decreased by BC extract. Finally, IFN-γ production was significantly increased (p {\\textless} 0.01), while IL-4 production significantly decreased (p {\\textless} 0.01), after treatment of the culture supernatants of splenocytes with BC extract. Conclusions These results indicated that BC extract reduces OVA-induced airway inflammation and Th 2 response in mice, suggesting that BC extract can be a therapeutic candidate for allergic airway disease, including asthma.},\n\tnumber = {1},\n\tjournal = {Journal of Ethnopharmacology},\n\tauthor = {Ra, J. and Lee, S. and Kim, H.J. and Jang, Y.P. and Ahn, H. and Kim, J.},\n\tyear = {2010},\n\tkeywords = {Airway inflammation; Bambusae Caulis in Taeniam; Herbal medicine; AccuTOF},\n\tpages = {241--247},\n}\n\n\n\n
\n
\n\n\n
\n Ethnopharmacological relevance Bambusae Caulis in Taeniam (BC) was known as traditional herbal medicine with anti-inflammatory property in the Orient. Aim of the study Allergic asthma is inflammatory disease of airways associated with enhanced T helper (Th) 2 lymphocytes responses to allergens, leading to eosinophilic infiltration and elevated serum IgE levels. Although there were some studies that BC extract had an anti-inflammatory property, there was no study on asthma. In present study, we investigated the suitability of BC extract as a therapeutic candidate in the treatment of allergic airway disease in ovalbumin-induced asthma model. Materials and methods Balb/C mice (female, 6 weeks old) were treated by ovalbumin sensitization and nebulization, and used as asthma model. The number of eosinophil in bronchoalveolar lavage (BAL) fluid and the degree of eosinophila were investigated by hematoxylin and eosin stain and the infiltration of inflammatory cells into lung tissues was examined by staining by hematoxylin and eosin solution. The levels of interleukin (IL)-4 in BAL fluid, immunoglobulin E (IgE) in serum, interferon (IFN)-γ and IL-4 production in splenocyte culture from Balb/C mice (not treated, 6 weeks old) that incubated with or without BC extract for 48 h were determined by enzyme-linked immunosorbent assay. Results The level of eosinophils was decreased by treatment of the animals with BC extract (40 mg/kg) and correspondingly, a significantly lowered degree of eosinophila was also reported (p \\textless 0.01). In lung tissue, BC extract reduced the increased immune cell infiltration induced by OVA (p \\textless 0.05). Furthermore, the levels of IL-4 and IgE in BAL fluid or serum up-regulated by OVA was decreased by BC extract. Finally, IFN-γ production was significantly increased (p \\textless 0.01), while IL-4 production significantly decreased (p \\textless 0.01), after treatment of the culture supernatants of splenocytes with BC extract. Conclusions These results indicated that BC extract reduces OVA-induced airway inflammation and Th 2 response in mice, suggesting that BC extract can be a therapeutic candidate for allergic airway disease, including asthma.\n
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\n \n\n \n \n \n \n \n A Rapid Technique for the Confirmation of Iodine and Red Phosphorus Using Direct Analysis in Real Time and Accurate Mass Spectrometry.\n \n \n \n\n\n \n Steiner, R. R\n\n\n \n\n\n\n Microgram J, 7(1): 3–6. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{steiner_rapid_2010,\n\ttitle = {A {Rapid} {Technique} for the {Confirmation} of {Iodine} and {Red} {Phosphorus} {Using} {Direct} {Analysis} in {Real} {Time} and {Accurate} {Mass} {Spectrometry}},\n\tvolume = {7},\n\tabstract = {Iodine and red phosphorus are chemicals commonly seen in clandestine methamphetamine laboratories. Current analytical methods used for the confirmation of these chemicals include FTIR and GC/MS, usually after a derivatization or reaction with other compounds. X-ray diffraction and scanning electron microscope-energy dispersive x-ray analysis are also used to confirm these chemicals, but all of these techniques tend to be time-consuming or produce poisonous products. A novel technique, using the JEOL-IonSense AccuTOF-DART system, has been developed which yields accurate mass spectra usually in less than ten minutes of analysis time, with no sample preparation.},\n\tnumber = {1},\n\tjournal = {Microgram J},\n\tauthor = {Steiner, Robert R},\n\tyear = {2010},\n\tpages = {3--6},\n}\n\n\n\n
\n
\n\n\n
\n Iodine and red phosphorus are chemicals commonly seen in clandestine methamphetamine laboratories. Current analytical methods used for the confirmation of these chemicals include FTIR and GC/MS, usually after a derivatization or reaction with other compounds. X-ray diffraction and scanning electron microscope-energy dispersive x-ray analysis are also used to confirm these chemicals, but all of these techniques tend to be time-consuming or produce poisonous products. A novel technique, using the JEOL-IonSense AccuTOF-DART system, has been developed which yields accurate mass spectra usually in less than ten minutes of analysis time, with no sample preparation.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time Ion Source.\n \n \n \n\n\n \n Cody, R. B.; and Dane, A. J.\n\n\n \n\n\n\n In Meyers, R. A., editor(s), Encyclopedia of Analytical Chemistry. John Wiley & Sons, Ltd., Published online: December 15, 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@incollection{cody_direct_2010,\n\taddress = {Published online: December 15},\n\ttitle = {Direct {Analysis} in {Real} {Time} {Ion} {Source}},\n\tisbn = {978-0-470-02731-8},\n\tabstract = {Direct Analysis in Real Time (DARTTM) refers to an atmospheric-pressure “open-air” ion source that is based on the interaction of long-lived (“metastable”) excited-state neutral atoms or molecules with analytes and atmospheric gases. The DART source is used for the rapid analysis of liquids, solids, vapors, or materials on surfaces in open air with little or no sample preparation.},\n\tbooktitle = {Encyclopedia of {Analytical} {Chemistry}},\n\tpublisher = {John Wiley \\& Sons, Ltd.},\n\tauthor = {Cody, Robert B. and Dane, A. John},\n\teditor = {Meyers, Robert A.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DARTTM) refers to an atmospheric-pressure “open-air” ion source that is based on the interaction of long-lived (“metastable”) excited-state neutral atoms or molecules with analytes and atmospheric gases. The DART source is used for the rapid analysis of liquids, solids, vapors, or materials on surfaces in open air with little or no sample preparation.\n
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\n \n\n \n \n \n \n \n \n Molecular Analysis of Primary Vapor and Char Products during Stepwise Pyrolysis of Poplar Biomass.\n \n \n \n \n\n\n \n Jones, R. W.; Reinot, T.; and McClelland, J. F.\n\n\n \n\n\n\n Energy & Fuels, 24(9): 5199–5209. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"MolecularPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{jones_molecular_2010,\n\ttitle = {Molecular {Analysis} of {Primary} {Vapor} and {Char} {Products} during {Stepwise} {Pyrolysis} of {Poplar} {Biomass}},\n\tvolume = {24},\n\turl = {http://dx.doi.org/10.1021/ef100655n},\n\tdoi = {10.1021/ef100655n},\n\tabstract = {Pyrolysis of biomass produces both pyrolysis oil and solid char. In this study, poplar has been pyrolyzed in a stepwise fashion over a series of temperatures from 200 to 500 °C, and both the primary products contributing to pyrolysis oil and the changes in the pyrolyzing poplar surface leading toward char have been characterized at each step. The primary products were identified by direct analysis in real time (DART) mass spectrometry, and the changes in the poplar surface were monitored using Fourier transform infrared (FTIR) photoacoustic spectroscopy, with a sampling depth of a few micrometers. The primary products from pyrolyzing cellulose, xylan, and lignin under similar conditions were also characterized to identify the sources of the poplar products.},\n\tnumber = {9},\n\tjournal = {Energy \\& Fuels},\n\tauthor = {Jones, Roger W. and Reinot, Tonu and McClelland, John F.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {5199--5209},\n}\n\n\n\n
\n
\n\n\n
\n Pyrolysis of biomass produces both pyrolysis oil and solid char. In this study, poplar has been pyrolyzed in a stepwise fashion over a series of temperatures from 200 to 500 °C, and both the primary products contributing to pyrolysis oil and the changes in the pyrolyzing poplar surface leading toward char have been characterized at each step. The primary products were identified by direct analysis in real time (DART) mass spectrometry, and the changes in the poplar surface were monitored using Fourier transform infrared (FTIR) photoacoustic spectroscopy, with a sampling depth of a few micrometers. The primary products from pyrolyzing cellulose, xylan, and lignin under similar conditions were also characterized to identify the sources of the poplar products.\n
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\n \n\n \n \n \n \n \n Allium chemistry: Use of new instrumental techniques to “see” reactive organosulfur species formed upon crushing garlic and onion.\n \n \n \n\n\n \n Block, E.; Cody, R.; Dane, A.; Sheridan, R.; Vattekkatte, A.; and Wang, K.\n\n\n \n\n\n\n Pure and Applied Chemistry, 82(3): 535–539. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{block_allium_2010,\n\ttitle = {Allium chemistry: {Use} of new instrumental techniques to “see” reactive organosulfur species formed upon crushing garlic and onion},\n\tvolume = {82},\n\tdoi = {10.1351/PAC-CON-09-08-12},\n\tabstract = {Three different instrumental methods have been used to examine the organosulfur chemistry of intact and cut garlic and onions: X-ray fluorescence spectroscopic imaging (XFS), direct analysis in real time (DART) mass spec-trometry, and ultra-performance liquid chromatography-(Ag+)-coordination ion spray mass spectrometry (UPLC–(Ag+)CIS–MS). The first technique has been used to map the location of different chemical forms of sulfur in intact and damaged onion cells, the second technique, to identify the reactive, volatile sulfur compounds formed on cutting the plants, and the third technique, to identify members of families of polysulfides  found in the distilled oil of garlic.},\n\tnumber = {3},\n\tjournal = {Pure and Applied Chemistry},\n\tauthor = {Block, E. and Cody, R.B. and Dane, A.J. and Sheridan, R. and Vattekkatte, A. and Wang, K.},\n\tyear = {2010},\n\tkeywords = {direct analysis in real time; garlic; mass spectrometry; onion; sulfur compounds; ultra-performance liquid chromatography; X-ray fluorescence spectroscopy, AccuTOF},\n\tpages = {535--539},\n}\n\n\n\n
\n
\n\n\n
\n Three different instrumental methods have been used to examine the organosulfur chemistry of intact and cut garlic and onions: X-ray fluorescence spectroscopic imaging (XFS), direct analysis in real time (DART) mass spec-trometry, and ultra-performance liquid chromatography-(Ag+)-coordination ion spray mass spectrometry (UPLC–(Ag+)CIS–MS). The first technique has been used to map the location of different chemical forms of sulfur in intact and damaged onion cells, the second technique, to identify the reactive, volatile sulfur compounds formed on cutting the plants, and the third technique, to identify members of families of polysulfides found in the distilled oil of garlic.\n
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\n \n\n \n \n \n \n \n \n Transmission-mode direct analysis in real time and desorption electrospray ionization mass spectrometry of insecticide-treated bednets for malaria control.\n \n \n \n \n\n\n \n Perez, J. J.; Harris, G. A.; Chipuk, J. E.; Brodbelt, J. S.; Green, M. D.; Hampton, C. Y.; and Fernandez, F. M.\n\n\n \n\n\n\n Analyst, 135(4): 712–719. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"Transmission-modePaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{perez_transmission-mode_2010,\n\ttitle = {Transmission-mode direct analysis in real time and desorption electrospray ionization mass spectrometry of insecticide-treated bednets for malaria control},\n\tvolume = {135},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/B924533B},\n\tabstract = {Transmission-mode direct analysis in real time (TM-DART) is presented as an alternative sampling strategy to traditional methods of sample introduction for DART MS analysis. A custom-designed sample holder was fabricated to rapidly and reproducibly position insecticide-treated nets normal to the ionizing metastable gas stream, enabling transmission of desorbed analyte ions through the holder cavity and into the MS. Introduction of the sample at this fixed geometry eliminates the need for optimizing sample position and allows spectra based on factors such as metastable gas temperature and flow to be systematically evaluated. The results presented here, supported by computational fluid dynamic simulations, demonstrate the effects of these factors on the resulting mass spectra and the potential of this sampling strategy to be used for qualitative and quantitative analyses. Transmission-mode desorption electrospray ionization (TM-DESI) experiments on similar insecticide-treated nets were performed for comparison purposes.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Perez, Jose J. and Harris, Glenn A. and Chipuk, Joseph E. and Brodbelt, Jennifer S. and Green, Michael D. and Hampton, Christina Y. and Fernandez, Facundo M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {712--719},\n}\n\n\n\n
\n
\n\n\n
\n Transmission-mode direct analysis in real time (TM-DART) is presented as an alternative sampling strategy to traditional methods of sample introduction for DART MS analysis. A custom-designed sample holder was fabricated to rapidly and reproducibly position insecticide-treated nets normal to the ionizing metastable gas stream, enabling transmission of desorbed analyte ions through the holder cavity and into the MS. Introduction of the sample at this fixed geometry eliminates the need for optimizing sample position and allows spectra based on factors such as metastable gas temperature and flow to be systematically evaluated. The results presented here, supported by computational fluid dynamic simulations, demonstrate the effects of these factors on the resulting mass spectra and the potential of this sampling strategy to be used for qualitative and quantitative analyses. Transmission-mode desorption electrospray ionization (TM-DESI) experiments on similar insecticide-treated nets were performed for comparison purposes.\n
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\n \n\n \n \n \n \n \n \n Release kinetics of actives from chewing gums into saliva monitored by direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Jeckelmann, N.; and Haefliger, O. P.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(8): 1165–1171. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ReleasePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{jeckelmann_release_2010,\n\ttitle = {Release kinetics of actives from chewing gums into saliva monitored by direct analysis in real time mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4500},\n\tdoi = {10.1002/rcm.4500},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) was used to monitor the release kinetics of a taste-refreshing compound from chewing gums into the saliva of subjects. A new DART-MS sample probe was designed which was about four times more sensitive than the current benchmark probe. This decreased the impact of the dilution of the saliva samples that was required to minimize ion suppression effects and make quantitative analyses without an internal standard possible. The new probe was also about three times more reproducible, which allowed quantitative measurements to be conducted manually without requiring the enhanced precision provided by an automatic sample positioner. The accuracy of analyses performed by DART-MS was verified by comparing the results obtained from saliva samples analyzed both by DART-MS and by a more classical liquid chromatography/mass spectrometry (LC/MS) method. This investigation showed good agreement between the two techniques. DART-MS could then be used to objectively demonstrate the efficiency of a granular carbohydrate-based delivery system to boost for a few minutes the release of a lipophilic flavor raw material with a high octanol/water partition coefficient, cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl) (WS-3), from chewing gum into saliva. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {8},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Jeckelmann, Nicolas and Haefliger, Olivier P.},\n\tyear = {2010},\n\tkeywords = {Applied Biosystems QTrap},\n\tpages = {1165--1171},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) was used to monitor the release kinetics of a taste-refreshing compound from chewing gums into the saliva of subjects. A new DART-MS sample probe was designed which was about four times more sensitive than the current benchmark probe. This decreased the impact of the dilution of the saliva samples that was required to minimize ion suppression effects and make quantitative analyses without an internal standard possible. The new probe was also about three times more reproducible, which allowed quantitative measurements to be conducted manually without requiring the enhanced precision provided by an automatic sample positioner. The accuracy of analyses performed by DART-MS was verified by comparing the results obtained from saliva samples analyzed both by DART-MS and by a more classical liquid chromatography/mass spectrometry (LC/MS) method. This investigation showed good agreement between the two techniques. DART-MS could then be used to objectively demonstrate the efficiency of a granular carbohydrate-based delivery system to boost for a few minutes the release of a lipophilic flavor raw material with a high octanol/water partition coefficient, cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl) (WS-3), from chewing gum into saliva. Copyright © 2010 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Ricin Activity Assay by Direct Analysis in Real Time Mass Spectrometry Detection of Adenine Release.\n \n \n \n \n\n\n \n Bevilacqua, V. L. H.; Nilles, J. M.; Rice, J. S.; Connell, T. R.; Schenning, A. M.; Reilly, L. M.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 82(3): 798–800. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RicinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{bevilacqua_ricin_2010,\n\ttitle = {Ricin {Activity} {Assay} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} {Detection} of {Adenine} {Release}},\n\tvolume = {82},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac9025972},\n\tdoi = {10.1021/ac9025972},\n\tabstract = {Biotoxin activity assays typically involve multistep sample preparation, multicomponent reactions, multistep analysis, or a combination thereof. We report a single-step, real-time ricin activity assay that requires little or no sample preparation and employs direct analysis in real time mass spectrometry. The release of adenine from the inhomogeneous substrate herring sperm DNA by ricin was determined to be 53 ± 2 pmol adenine per picomole of ricin per hour. This procedure can be readily adapted to any enzyme for which a reactant or product of low molecular weight (up to ∼600) can be identified.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Bevilacqua, Vicky L. H. and Nilles, J. Michael and Rice, Jeffrey S. and Connell, Theresa R. and Schenning, Amanda M. and Reilly, Lisa M. and Durst, H. Dupont},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {798--800},\n}\n\n\n\n
\n
\n\n\n
\n Biotoxin activity assays typically involve multistep sample preparation, multicomponent reactions, multistep analysis, or a combination thereof. We report a single-step, real-time ricin activity assay that requires little or no sample preparation and employs direct analysis in real time mass spectrometry. The release of adenine from the inhomogeneous substrate herring sperm DNA by ricin was determined to be 53 ± 2 pmol adenine per picomole of ricin per hour. This procedure can be readily adapted to any enzyme for which a reactant or product of low molecular weight (up to ∼600) can be identified.\n
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\n \n\n \n \n \n \n \n \n Optimization of a direct analysis in real time/time-of-flight mass spectrometry method for rapid serum metabolomic fingerprinting.\n \n \n \n \n\n\n \n Zhou, M.; McDonald, J. F.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(1): 68–75. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhou_optimization_2010,\n\ttitle = {Optimization of a direct analysis in real time/time-of-flight mass spectrometry method for rapid serum metabolomic fingerprinting},\n\tvolume = {21},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://www.springerlink.com/index/10.1016/j.jasms.2009.09.004},\n\tdoi = {10.1016/j.jasms.2009.09.004},\n\tabstract = {Metabolomic fingerprinting of bodily fluids can reveal the underlying causes of metabolic disorders associated with many diseases, and has thus been recognized as a potential tool for disease diagnosis and prognosis following therapy. Here we report a rapid approach in which direct analysis in real time (DART) coupled with time-of-flight (TOF) mass spectrometry (MS) and hybrid quadrupole TOF (Q-TOF) MS is used as a means for metabolomic fingerprinting of human serum. In this approach, serum samples are first treated to precipitate proteins, and the volatility of the remaining metabolites increased by derivatization, followed by DART MS analysis. Maximum DART MS performance was obtained by optimizing instrumental parameters such as ionizing gas temperature and flow rate for the analysis of identical aliquots of a healthy human serum samples. These variables were observed to have a significant effect on the overall mass range of the metabolites detected as well as the signal-to-noise ratios in DART mass spectra. Each DART run requires only 1.2 min, during which more than 1500 different spectral features are observed in a time-dependent fashion. A repeatability of 4.1\\% to 4.5\\% was obtained for the total ion signal using a manual sampling arm. With the appealing features of high-throughput, lack of memory effects, and simplicity, DART MS has shown potential to become an invaluable tool for metabolomic fingerprinting.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Zhou, Manshui and McDonald, John F. and Fernández, Facundo M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {68--75},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Metabolomic fingerprinting of bodily fluids can reveal the underlying causes of metabolic disorders associated with many diseases, and has thus been recognized as a potential tool for disease diagnosis and prognosis following therapy. Here we report a rapid approach in which direct analysis in real time (DART) coupled with time-of-flight (TOF) mass spectrometry (MS) and hybrid quadrupole TOF (Q-TOF) MS is used as a means for metabolomic fingerprinting of human serum. In this approach, serum samples are first treated to precipitate proteins, and the volatility of the remaining metabolites increased by derivatization, followed by DART MS analysis. Maximum DART MS performance was obtained by optimizing instrumental parameters such as ionizing gas temperature and flow rate for the analysis of identical aliquots of a healthy human serum samples. These variables were observed to have a significant effect on the overall mass range of the metabolites detected as well as the signal-to-noise ratios in DART mass spectra. Each DART run requires only 1.2 min, during which more than 1500 different spectral features are observed in a time-dependent fashion. A repeatability of 4.1% to 4.5% was obtained for the total ion signal using a manual sampling arm. With the appealing features of high-throughput, lack of memory effects, and simplicity, DART MS has shown potential to become an invaluable tool for metabolomic fingerprinting.\n
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\n \n\n \n \n \n \n \n Capabilities of direct analysis in real time mass spectrometry and gas chromatography-mass spectrometry in the mint oil test.\n \n \n \n\n\n \n Chernetsova, E. S.; Khomyakov, Y. Y.; Goryainov, S. V.; Ovcharov, M. V.; Bochkov, P. O.; Zatonsky, G. V.; Zhokhov, S. S.; and Abramovich, R. A.\n\n\n \n\n\n\n Mendeleev Communications, 20(5): 299–300. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_capabilities_2010,\n\ttitle = {Capabilities of direct analysis in real time mass spectrometry and gas chromatography-mass spectrometry in the mint oil test},\n\tvolume = {20},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry is compared to gas chromatography–mass spectrometry by the example of mint essential oil analysis.},\n\tnumber = {5},\n\tjournal = {Mendeleev Communications},\n\tauthor = {Chernetsova, Elena S. and Khomyakov, Yuri Yu. and Goryainov, Sergey V. and Ovcharov, Maxim V. and Bochkov, Pavel O. and Zatonsky, George V. and Zhokhov, Sergey S. and Abramovich, Rimma A.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {299--300},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) mass spectrometry is compared to gas chromatography–mass spectrometry by the example of mint essential oil analysis.\n
\n\n\n
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\n \n\n \n \n \n \n \n Identification of Glycyrrhiza species by direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Fukuda, E.; Baba, M.; Iwasaki, N.; Uesawa, Y.; Arifuku, K.; Kamoe, O.; Tsubono, K.; and Okada, Y.\n\n\n \n\n\n\n Natural product communications, 5(11): 1755–1758. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fukuda_identification_2010,\n\ttitle = {Identification of {Glycyrrhiza} species by direct analysis in real time mass spectrometry.},\n\tvolume = {5},\n\tabstract = {DART (Direct Analysis in Real Time)-MS is a novel mass spectrometric ion source, and allows the analysis of most compounds at ambient pressure and ground potential by producing [M+H]+ molecular ion species. Using this method, we examined the compounds characteristic of several kinds of licorices. For the analysis of Glycyrrhiza inflata Batalin, the peak at m/z 339 originates mainly from [M+H]+ of licochalcone A (LA), a species-specific compound. This peak was hardly detected in G. glabra Linné and G. uralensis Fischer. These results indicate that G. inflata can be differentiated from the other two species by detection of LA peaks using DART-MS analysis.},\n\tnumber = {11},\n\tjournal = {Natural product communications},\n\tauthor = {Fukuda, Eriko and Baba, Masaki and Iwasaki, Noriaki and Uesawa, Yoshihiro and Arifuku, Kazunori and Kamoe, Osamu and Tsubono, Koji and Okada, Yoshihito},\n\tyear = {2010},\n\tpages = {1755--1758},\n}\n\n\n\n
\n
\n\n\n
\n DART (Direct Analysis in Real Time)-MS is a novel mass spectrometric ion source, and allows the analysis of most compounds at ambient pressure and ground potential by producing [M+H]+ molecular ion species. Using this method, we examined the compounds characteristic of several kinds of licorices. For the analysis of Glycyrrhiza inflata Batalin, the peak at m/z 339 originates mainly from [M+H]+ of licochalcone A (LA), a species-specific compound. This peak was hardly detected in G. glabra Linné and G. uralensis Fischer. These results indicate that G. inflata can be differentiated from the other two species by detection of LA peaks using DART-MS analysis.\n
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\n \n\n \n \n \n \n \n Recognition of beer brand based on multivariate analysis of volatile fingerprint.\n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1217(25): 4195–4203. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cajka_recognition_2010,\n\ttitle = {Recognition of beer brand based on multivariate analysis of volatile fingerprint},\n\tvolume = {1217},\n\tdoi = {10.1016/j.chroma.2009.12.049},\n\tabstract = {Automated head-space solid-phase microextraction (HS-SPME)-based sampling procedure, coupled to gas chromatography-time-of-flight mass spectrometry (GC-TOFMS), was developed and employed for obtaining of fingerprints (GC profiles) of beer volatiles. In total, 265 speciality beer samples were collected over a 1-year period with the aim to distinguish, based on analytical (profiling) data, (i) the beers labelled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. For the chemometric evaluation of the data, partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) were tested. The best prediction ability was obtained for the model that distinguished a group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided 100\\% correct classification. Slightly worse prediction abilities were achieved for the models "Trappist vs. non-Trappist beers" with the values of 93.9\\% (PLS-DA), 91.9\\% (LDA) and 97.0\\% (ANN-MLP) and "Rochefort 8 vs. the rest" with the values of 87.9\\% (PLS-DA) and 84.8\\% (LDA) and 93.9\\% (ANN-MLP). In addition to chromatographic profiling, also the potential of direct coupling of SPME (extraction/pre-concentration device) with high-resolution TOFMS employing a direct analysis in real time (DART) ion source has been demonstrated as a challenging profiling approach.},\n\tnumber = {25},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Cajka, T. and Riddellova, K. and Tomaniova, M. and Hajslova, J.},\n\tyear = {2010},\n\tkeywords = {DART; AccuTOF},\n\tpages = {4195--4203},\n}\n\n\n\n
\n
\n\n\n
\n Automated head-space solid-phase microextraction (HS-SPME)-based sampling procedure, coupled to gas chromatography-time-of-flight mass spectrometry (GC-TOFMS), was developed and employed for obtaining of fingerprints (GC profiles) of beer volatiles. In total, 265 speciality beer samples were collected over a 1-year period with the aim to distinguish, based on analytical (profiling) data, (i) the beers labelled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. For the chemometric evaluation of the data, partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) were tested. The best prediction ability was obtained for the model that distinguished a group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided 100% correct classification. Slightly worse prediction abilities were achieved for the models \"Trappist vs. non-Trappist beers\" with the values of 93.9% (PLS-DA), 91.9% (LDA) and 97.0% (ANN-MLP) and \"Rochefort 8 vs. the rest\" with the values of 87.9% (PLS-DA) and 84.8% (LDA) and 93.9% (ANN-MLP). In addition to chromatographic profiling, also the potential of direct coupling of SPME (extraction/pre-concentration device) with high-resolution TOFMS employing a direct analysis in real time (DART) ion source has been demonstrated as a challenging profiling approach.\n
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\n \n\n \n \n \n \n \n \n Rapid determination of melamine and cyanuric acid in milk powder using direct analysis in real time-time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Vaclavik, L.; Rosmus, J.; Popping, B.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1217(25): 4204–4211. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_rapid_2010,\n\ttitle = {Rapid determination of melamine and cyanuric acid in milk powder using direct analysis in real time-time-of-flight mass spectrometry},\n\tvolume = {1217},\n\turl = {http://dx.doi.org/10.1016/j.chroma.2010.03.014},\n\tabstract = {The use of fast semi-automated method employing direct analysis in real time (DART) ion source coupled to time-of-flight mass spectrometry (TOFMS) for analysis of melamine (MEL) and cyanuric acid (CYA) in milk powder and milk based products has been demonstrated in this study. Simple sample extraction procedure employing methanol–5\\% aqueous formic acid mixture, which enabled disruption of melamine–cyanurate complex, was followed by direct, high-throughput (30 s per run) examination of sample extracts spread on a glass rod by mass spectrometry under ambient conditions, without any prior chromatographic separation. After optimization of instrument parameter settings, limits of detection (LODs) 170 and 450 μg kg−1 were achieved for MEL and CYA, respectively. In the final phase of study, the possibility of minimizing spectral interference, thus improving method performance characteristics through the use of ultrahigh resolving power offered by Orbitrap based mass analyzer is demonstrated.},\n\tnumber = {25},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Vaclavik, Lukas and Rosmus, Jan and Popping, Bert and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Melamine; Cyanuric acid; Milk powder; Direct analysis in real time (DART); Time-of-flight mass spectrometry; AccuTOF; Orbitrap mass spectrometry},\n\tpages = {4204--4211},\n}\n\n\n\n
\n
\n\n\n
\n The use of fast semi-automated method employing direct analysis in real time (DART) ion source coupled to time-of-flight mass spectrometry (TOFMS) for analysis of melamine (MEL) and cyanuric acid (CYA) in milk powder and milk based products has been demonstrated in this study. Simple sample extraction procedure employing methanol–5% aqueous formic acid mixture, which enabled disruption of melamine–cyanurate complex, was followed by direct, high-throughput (30 s per run) examination of sample extracts spread on a glass rod by mass spectrometry under ambient conditions, without any prior chromatographic separation. After optimization of instrument parameter settings, limits of detection (LODs) 170 and 450 μg kg−1 were achieved for MEL and CYA, respectively. In the final phase of study, the possibility of minimizing spectral interference, thus improving method performance characteristics through the use of ultrahigh resolving power offered by Orbitrap based mass analyzer is demonstrated.\n
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\n \n\n \n \n \n \n \n Analysis of multiple mycotoxins in cereals under ambient conditions using direct analysis in real time (DART) ionization coupled to high resolution mass spectrometry.\n \n \n \n\n\n \n Vaclavik, L.; Zachariasova, M.; Hrbek, V.; and Hajslova, J.\n\n\n \n\n\n\n Talanta, 82(5): 1950–1957. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_analysis_2010,\n\ttitle = {Analysis of multiple mycotoxins in cereals under ambient conditions using direct analysis in real time ({DART}) ionization coupled to high resolution mass spectrometry},\n\tvolume = {82},\n\tabstract = {Direct analysis in real time (DART) ionization coupled to an (ultra)high resolution mass spectrometer based on orbitrap technology (orbitrapMS) was used for rapid quantitative analysis of multiple mycotoxins isolated from wheat and maize by modified QuEChERS procedure. After initial evaluation of ionization efficiencies for major groups of mycotoxins achievable with DART technology, sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of most intensively ionizing toxins (deoxynivalenol, nivalenol, zearalenon, actyldeoxynivalenol, deepoxy-deoxynivalenol, fusarenon-X, altenuene, alternariol, alternariolmethylether, diacetoxyscirpenol,\nsterigmatocystin). The lowest calibration levels (LCLs) estimated for the respective analytes ranged from 50 to 150 [mu]g kg-1. Quantitative\nanalysis was performed either with the use of matrix-matched standards or by employing commercially available 13C-labeled internal standards\n(available for deoxynivalenol, nivalenol and zearalenon). Good recoveries (100-108\\%) and repeatabilities (RSD 5.4-6.9\\%) were obtained\nat spiking level 500 [mu]g kg-1 with isotope dilution technique. Based on matrix-matched calibration, recoveries and repeatabilities were in\nthe range 84-118\\% and 7.9-12.0\\% (RSD), respectively. The trueness of data obtained for deoxynivalenol and zearalenon in wheat/maize by DART-orbitrapMS was demonstrated by analysis of certified reference materials (CRMs). Good agreement of these results with data generated\nby validated ultra-high pressure liquid chromatography-time-of-flight mass spectrometry method was documented.},\n\tnumber = {5},\n\tjournal = {Talanta},\n\tauthor = {Vaclavik, Lukas and Zachariasova, Milena and Hrbek, Vojtech and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Orbitrap},\n\tpages = {1950--1957},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) ionization coupled to an (ultra)high resolution mass spectrometer based on orbitrap technology (orbitrapMS) was used for rapid quantitative analysis of multiple mycotoxins isolated from wheat and maize by modified QuEChERS procedure. After initial evaluation of ionization efficiencies for major groups of mycotoxins achievable with DART technology, sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of most intensively ionizing toxins (deoxynivalenol, nivalenol, zearalenon, actyldeoxynivalenol, deepoxy-deoxynivalenol, fusarenon-X, altenuene, alternariol, alternariolmethylether, diacetoxyscirpenol, sterigmatocystin). The lowest calibration levels (LCLs) estimated for the respective analytes ranged from 50 to 150 [mu]g kg-1. Quantitative analysis was performed either with the use of matrix-matched standards or by employing commercially available 13C-labeled internal standards (available for deoxynivalenol, nivalenol and zearalenon). Good recoveries (100-108%) and repeatabilities (RSD 5.4-6.9%) were obtained at spiking level 500 [mu]g kg-1 with isotope dilution technique. Based on matrix-matched calibration, recoveries and repeatabilities were in the range 84-118% and 7.9-12.0% (RSD), respectively. The trueness of data obtained for deoxynivalenol and zearalenon in wheat/maize by DART-orbitrapMS was demonstrated by analysis of certified reference materials (CRMs). Good agreement of these results with data generated by validated ultra-high pressure liquid chromatography-time-of-flight mass spectrometry method was documented.\n
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\n \n\n \n \n \n \n \n \n Ambient Pressure Desorption Ionization Mass Spectrometry in Support of Preclinical Pharmaceutical Development.\n \n \n \n \n\n\n \n Helmy, R.; Schafer, W.; Buhler, L.; Marcinko, S.; Musselman, B.; Guidry, E.; Jenkins, H.; Fleitz, F.; and Welch, C. J.\n\n\n \n\n\n\n Organic Process Research & Development, 14(2): 386–392. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{helmy_ambient_2010,\n\ttitle = {Ambient {Pressure} {Desorption} {Ionization} {Mass} {Spectrometry} in {Support} of {Preclinical} {Pharmaceutical} {Development}},\n\tvolume = {14},\n\tissn = {1083-6160, 1520-586X},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/op9002938},\n\tdoi = {10.1021/op9002938},\n\tabstract = {The use of ambient pressure desorption ionization mass spectrometry for the rapid analytical support of process and pharmaceutical development is demonstrated. The ability of direct analysis in real time (DART) technology to analyze both active pharmaceutical ingredients (APIs) and intermediates without sample preparation or the development of LC-based separations provided critical experimental results with minimal time required for method development. The utility and versatility of DART is shown for applications such as degradation studies, analysis of high-throughput catalyst screens, preparative-scale chromatography fractions, and impurity determination.},\n\tnumber = {2},\n\turldate = {2012-04-18},\n\tjournal = {Organic Process Research \\& Development},\n\tauthor = {Helmy, Roy and Schafer, Wes and Buhler, Leah and Marcinko, Stephen and Musselman, Brian and Guidry, Erin and Jenkins, Herb and Fleitz, Fred and Welch, Christopher J.},\n\tyear = {2010},\n\tkeywords = {Thermo LTQ},\n\tpages = {386--392},\n}\n\n\n\n
\n
\n\n\n
\n The use of ambient pressure desorption ionization mass spectrometry for the rapid analytical support of process and pharmaceutical development is demonstrated. The ability of direct analysis in real time (DART) technology to analyze both active pharmaceutical ingredients (APIs) and intermediates without sample preparation or the development of LC-based separations provided critical experimental results with minimal time required for method development. The utility and versatility of DART is shown for applications such as degradation studies, analysis of high-throughput catalyst screens, preparative-scale chromatography fractions, and impurity determination.\n
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\n \n\n \n \n \n \n \n \n Analysis of multiple mycotoxins in beer employing (ultra)-high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Zachariasova, M.; Cajka, T.; Godula, M.; Malachova, A.; Veprikova, Z.; and Hajslova, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(22): 3357–3367. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zachariasova_analysis_2010,\n\ttitle = {Analysis of multiple mycotoxins in beer employing (ultra)-high-resolution mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4746},\n\tdoi = {10.1002/rcm.4746},\n\tabstract = {The objective of the presented study was to develop and optimize a simple, high-throughput method for the control of 32 mycotoxins (Fusarium and Alternaria toxins, aflatoxins, ergot alkaloids, ochratoxins, and sterigmatocystin) in beer. Due to the broad range of their physicochemical properties, the sample preparation step was simplified as much as possible to avoid analyte losses. The addition of acetonitrile to beer samples enabled precipitation of abundant matrix components. The clean-up efficiency was controlled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source. For determination of analytes, ultra-high-performance liquid chromatography hyphenated with high-resolution mass spectrometry utilizing an orbitrap (U-HPLC–orbitrapMS) or time-of-flight (TOFMS) technology was used. Because of significantly better detection capabilities of the orbitrap technology, the U-HPLC–orbitrapMS method was chosen as a determinative step and fully validated. To compensate matrix effects, matrix-matched calibration was employed. The lowest calibration levels for most of the target mycotoxins ranged from 1 to 8 µg L−1 beer and the recoveries of analytes were in range from 86 to 124\\%. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {22},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Zachariasova, Milena and Cajka, Tomas and Godula, Michal and Malachova, Alexandra and Veprikova, Zdenka and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Orbitrap},\n\tpages = {3357--3367},\n}\n\n\n\n
\n
\n\n\n
\n The objective of the presented study was to develop and optimize a simple, high-throughput method for the control of 32 mycotoxins (Fusarium and Alternaria toxins, aflatoxins, ergot alkaloids, ochratoxins, and sterigmatocystin) in beer. Due to the broad range of their physicochemical properties, the sample preparation step was simplified as much as possible to avoid analyte losses. The addition of acetonitrile to beer samples enabled precipitation of abundant matrix components. The clean-up efficiency was controlled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source. For determination of analytes, ultra-high-performance liquid chromatography hyphenated with high-resolution mass spectrometry utilizing an orbitrap (U-HPLC–orbitrapMS) or time-of-flight (TOFMS) technology was used. Because of significantly better detection capabilities of the orbitrap technology, the U-HPLC–orbitrapMS method was chosen as a determinative step and fully validated. To compensate matrix effects, matrix-matched calibration was employed. The lowest calibration levels for most of the target mycotoxins ranged from 1 to 8 µg L−1 beer and the recoveries of analytes were in range from 86 to 124%. Copyright © 2010 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Profiling of Piper betle Linn. cultivars by direct analysis in real time mass spectrometric technique.\n \n \n \n\n\n \n Bajpai, V.; Sharma, D.; Kumar, B.; and Madhusudanan, K. P.\n\n\n \n\n\n\n Biomedical Chromatography, 24(12): 1283–1286. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{bajpai_profiling_2010,\n\ttitle = {Profiling of {Piper} betle {Linn}. cultivars by direct analysis in real time mass spectrometric technique},\n\tvolume = {24},\n\tdoi = {10.1002/bmc.1437},\n\tabstract = {Piper betle Linn. is a traditional plant associated with the Asian and southeast Asian cultures. Its use is also recorded in folk medicines in these regions. Several of its medicinal properties have recently been proven. Phytochemical analysis showed the presence of mainly terpenes and phenols in betel leaves. These constituents vary in the different cultivars of Piper betle. In this paper we have attempted to profile eight locally available betel cultivars using the recently developed mass spectral ionization technique of direct analysis in real time (DART). Principal component analysis has also been employed to analyze the DART MS data of these betel cultivars. The results show that the cultivars of Piper betle could be differentiated using DART MS data.},\n\tnumber = {12},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Bajpai, Vikas and Sharma, Deepty and Kumar, Brijesh and Madhusudanan, K. P.},\n\tyear = {2010},\n\tkeywords = {DARTMS; Piper betle L; cultivars; profiling; PCA; AccuTOF},\n\tpages = {1283--1286},\n}\n\n\n\n
\n
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\n Piper betle Linn. is a traditional plant associated with the Asian and southeast Asian cultures. Its use is also recorded in folk medicines in these regions. Several of its medicinal properties have recently been proven. Phytochemical analysis showed the presence of mainly terpenes and phenols in betel leaves. These constituents vary in the different cultivars of Piper betle. In this paper we have attempted to profile eight locally available betel cultivars using the recently developed mass spectral ionization technique of direct analysis in real time (DART). Principal component analysis has also been employed to analyze the DART MS data of these betel cultivars. The results show that the cultivars of Piper betle could be differentiated using DART MS data.\n
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\n \n\n \n \n \n \n \n Applications of Direct Analysis in Real Time Mass Spectrometry (DART-MS) in Allium Chemistry. (Z)-Butanethial S-Oxide and 1-Butenyl Thiosulfinates and Their S-(E)-1-Butenylcysteine S-Oxide Precursor from Allium siculum.\n \n \n \n\n\n \n Kubec, R.; Cody, R.; Dane, A.; Musah, R.; Schraml, J.; Vattekkatte, A.; and Block, E.\n\n\n \n\n\n\n Journal of Agricultural and Food Chemistry, 58(2): 1121–1128. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kubec_applications_2010,\n\ttitle = {Applications of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) in {Allium} {Chemistry}. ({Z})-{Butanethial} {S}-{Oxide} and 1-{Butenyl} {Thiosulfinates} and {Their} {S}-({E})-1-{Butenylcysteine} {S}-{Oxide} {Precursor} from {Allium} siculum},\n\tvolume = {58},\n\tissn = {0021-8561},\n\tdoi = {10.1021/jf903733e},\n\tabstract = {Lachrymatory (Z)-butanethial S-oxide along with several 1-butenyl thiosulfinates was detected by DART mass spectrometry upon cutting Allium siculum, a popular ornamental Allium species used in some cultures as a spice. (Z)-Butanethial S-oxide isolated from the plant was shown to be identical to a synthetic sample. Its likely precursor, (RS,RC,E)-S-(1-butenyl)cysteine S-oxide (homoisoalliin), was isolated from homogenates of A. siculum, and a closely related species Allium tripedale, and fully characterized. Through use of LC-MS, a series of related γ-glutamyl derivatives were tentatively identified in A. siculum and A. tripedale homogenates, including γ-glutamyl-(E)-S-(1-butenyl)cysteine and its S-oxide, γ-glutamyl-S-butylcysteine and its S-oxide, and γ-glutamyl-S-methylcysteine and its S-oxide. Because compounds containing the 1-butenyl group have not been previously identified in genus Allium species, this work extends the range of known Allium sulfur compounds. The general applicability of DART mass spectrometry in identifying naturally occurring, thermally fragile thial S-oxides and thiosulfinates is illustrated with onion, Allium cepa, as well as a plant from a different genus, Petiveria alliacea.},\n\tnumber = {2},\n\tjournal = {Journal of Agricultural and Food Chemistry},\n\tauthor = {Kubec, R. and Cody, R.B. and Dane, A.J. and Musah, R.A. and Schraml, J. and Vattekkatte, A. and Block, E.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1121--1128},\n}\n\n\n\n
\n
\n\n\n
\n Lachrymatory (Z)-butanethial S-oxide along with several 1-butenyl thiosulfinates was detected by DART mass spectrometry upon cutting Allium siculum, a popular ornamental Allium species used in some cultures as a spice. (Z)-Butanethial S-oxide isolated from the plant was shown to be identical to a synthetic sample. Its likely precursor, (RS,RC,E)-S-(1-butenyl)cysteine S-oxide (homoisoalliin), was isolated from homogenates of A. siculum, and a closely related species Allium tripedale, and fully characterized. Through use of LC-MS, a series of related γ-glutamyl derivatives were tentatively identified in A. siculum and A. tripedale homogenates, including γ-glutamyl-(E)-S-(1-butenyl)cysteine and its S-oxide, γ-glutamyl-S-butylcysteine and its S-oxide, and γ-glutamyl-S-methylcysteine and its S-oxide. Because compounds containing the 1-butenyl group have not been previously identified in genus Allium species, this work extends the range of known Allium sulfur compounds. The general applicability of DART mass spectrometry in identifying naturally occurring, thermally fragile thial S-oxides and thiosulfinates is illustrated with onion, Allium cepa, as well as a plant from a different genus, Petiveria alliacea.\n
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\n \n\n \n \n \n \n \n \n Identification of marker compounds in herbal drugs on TLC with DART-MS.\n \n \n \n \n\n\n \n Kim, H. J.; Jee, E. H.; Ahn, K. S.; Choi, H. S.; and Jang, Y. P.\n\n\n \n\n\n\n Archives of Pharmacal Research, 33(9): 1355–1359. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_identification_2010,\n\ttitle = {Identification of marker compounds in herbal drugs on {TLC} with {DART}-{MS}},\n\tvolume = {33},\n\tissn = {0253-6269, 1976-3786},\n\turl = {http://www.springerlink.com/index/10.1007/s12272-010-0909-7},\n\tdoi = {10.1007/s12272-010-0909-7},\n\tabstract = {This study was conducted to provide a more versatile and specific information on Thin Layer Chromatographic (TLC) analysis of medicinal plants. TLC plates developed with the extract of herbal medicines were analyzed with direct analysis in real time (DART) ion source. Three well known herbal drugs were extracted and developed on a silica-coated TLC plate with the conditions pre-established in Korean Pharmacopoeia IX. The developed plate was placed between the DART ion source and TOF-MS analyzer to get real time mass spectra from the bands on the TLC plate directly. The marker coumarin compounds, decursin and decursinol were successfully identified from the TLC plate developed with Angelicae gigantis radix, along with alkaloid compounds of rutaecarpine and evodiamine from Evodiae fructus, and lignan molecules of gomisin A, N, and schisandrin from Schisandrae fructus. This hyphenation system of TLC and DART-MS could provide unique and specific information on the major constituents of crude plant drug on TLC through uncovering high resolution mass number of each band on the TLC plate directly in real time.},\n\tnumber = {9},\n\turldate = {2012-04-18},\n\tjournal = {Archives of Pharmacal Research},\n\tauthor = {Kim, Hye Jin and Jee, Eun Hye and Ahn, Kwang Sung and Choi, Hyo Sook and Jang, Young Pyo},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1355--1359},\n}\n\n\n\n
\n
\n\n\n
\n This study was conducted to provide a more versatile and specific information on Thin Layer Chromatographic (TLC) analysis of medicinal plants. TLC plates developed with the extract of herbal medicines were analyzed with direct analysis in real time (DART) ion source. Three well known herbal drugs were extracted and developed on a silica-coated TLC plate with the conditions pre-established in Korean Pharmacopoeia IX. The developed plate was placed between the DART ion source and TOF-MS analyzer to get real time mass spectra from the bands on the TLC plate directly. The marker coumarin compounds, decursin and decursinol were successfully identified from the TLC plate developed with Angelicae gigantis radix, along with alkaloid compounds of rutaecarpine and evodiamine from Evodiae fructus, and lignan molecules of gomisin A, N, and schisandrin from Schisandrae fructus. This hyphenation system of TLC and DART-MS could provide unique and specific information on the major constituents of crude plant drug on TLC through uncovering high resolution mass number of each band on the TLC plate directly in real time.\n
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\n \n\n \n \n \n \n \n \n Rapid Mass Spectrometric Metabolic Profiling of Blood Sera Detects Ovarian Cancer with High Accuracy.\n \n \n \n \n\n\n \n Zhou, M.; Guan, W.; Walker, L. D.; Mezencev, R.; Benigno, B. B.; Gray, A.; Fernandez, F. M.; and McDonald, J. F.\n\n\n \n\n\n\n Cancer Epidemiology, Biomarkers & Prevention. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhou_rapid_2010,\n\ttitle = {Rapid {Mass} {Spectrometric} {Metabolic} {Profiling} of {Blood} {Sera} {Detects} {Ovarian} {Cancer} with {High} {Accuracy}},\n\turl = {http://cebp.aacrjournals.org/content/early/2010/08/05/1055-9965.EPI-10-0126.abstract},\n\tdoi = {10.1158/1055-9965.EPI-10-0126},\n\tabstract = {Background: Ovarian cancer diagnosis is problematic because the disease is typically asymptomatic, especially at the early stages of progression and/or recurrence. We report here the integration of a new mass spectrometric technology with a novel support vector machine computational method for use in cancer diagnostics, and describe the application of the method to ovarian cancer.\n\nMethods: We coupled a high-throughput ambient ionization technique for mass spectrometry (direct analysis in real-time mass spectrometry) to profile relative metabolite levels in sera from 44 women diagnosed with serous papillary ovarian cancer (stages I-IV) and 50 healthy women or women with benign conditions. The profiles were input to a customized functional support vector machine–based machine-learning algorithm for diagnostic classification. Performance was evaluated through a 64-30 split validation test and with a stringent series of leave-one-out cross-validations.\n\nResults: The assay distinguished between the cancer and control groups with an unprecedented 99\\% to 100\\% accuracy (100\\% sensitivity and 100\\% specificity by the 64-30 split validation test; 100\\% sensitivity and 98\\% specificity by leave-one-out cross-validations).\n\nConclusion: The method has significant clinical potential as a cancer diagnostic tool. Because of the extremely low prevalence of ovarian cancer in the general population (∼0.04\\%), extensive prospective testing will be required to evaluate the test's potential utility in general screening applications. However, more immediate applications might be as a diagnostic tool in higher-risk groups or to monitor cancer recurrence after therapeutic treatment.\n\nImpact: The ability to accurately and inexpensively diagnose ovarian cancer will have a significant positive effect on ovarian cancer treatment and outcome.},\n\tjournal = {Cancer Epidemiology, Biomarkers \\& Prevention},\n\tauthor = {Zhou, M. and Guan, W. and Walker, L. D. and Mezencev, R. and Benigno, B. B. and Gray, A. and Fernandez, F. M. and McDonald, J. F.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
\n
\n\n\n
\n Background: Ovarian cancer diagnosis is problematic because the disease is typically asymptomatic, especially at the early stages of progression and/or recurrence. We report here the integration of a new mass spectrometric technology with a novel support vector machine computational method for use in cancer diagnostics, and describe the application of the method to ovarian cancer. Methods: We coupled a high-throughput ambient ionization technique for mass spectrometry (direct analysis in real-time mass spectrometry) to profile relative metabolite levels in sera from 44 women diagnosed with serous papillary ovarian cancer (stages I-IV) and 50 healthy women or women with benign conditions. The profiles were input to a customized functional support vector machine–based machine-learning algorithm for diagnostic classification. Performance was evaluated through a 64-30 split validation test and with a stringent series of leave-one-out cross-validations. Results: The assay distinguished between the cancer and control groups with an unprecedented 99% to 100% accuracy (100% sensitivity and 100% specificity by the 64-30 split validation test; 100% sensitivity and 98% specificity by leave-one-out cross-validations). Conclusion: The method has significant clinical potential as a cancer diagnostic tool. Because of the extremely low prevalence of ovarian cancer in the general population (∼0.04%), extensive prospective testing will be required to evaluate the test's potential utility in general screening applications. However, more immediate applications might be as a diagnostic tool in higher-risk groups or to monitor cancer recurrence after therapeutic treatment. Impact: The ability to accurately and inexpensively diagnose ovarian cancer will have a significant positive effect on ovarian cancer treatment and outcome.\n
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\n \n\n \n \n \n \n \n Thermal separation to facilitate Direct Analysis in Real Time (DART) of mixtures.\n \n \n \n\n\n \n Nilles, J.; Connell, T.; and Durst, H.\n\n\n \n\n\n\n Analyst, 135(5): 883–886. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nilles_thermal_2010,\n\ttitle = {Thermal separation to facilitate {Direct} {Analysis} in {Real} {Time} ({DART}) of mixtures},\n\tvolume = {135},\n\tdoi = {10.1039/c0an00036a},\n\tabstract = {We explore a thermal separation technique for use with Direct Analysis in Real Time (DART). By applying gas temperature ramping, we are able to disburse a mixture of compounds in time. The three components were selected to create a challenging mixture that would not likely be discerned solely using exact mass capabilities. While the thermal separation technique is of low resolution, it preserves the inherent rapid, non-contact, ambient characteristics of the ion source.},\n\tnumber = {5},\n\tjournal = {Analyst},\n\tauthor = {Nilles, J.M. and Connell, T.R. and Durst, H.D.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {883--886},\n}\n\n\n\n
\n
\n\n\n
\n We explore a thermal separation technique for use with Direct Analysis in Real Time (DART). By applying gas temperature ramping, we are able to disburse a mixture of compounds in time. The three components were selected to create a challenging mixture that would not likely be discerned solely using exact mass capabilities. While the thermal separation technique is of low resolution, it preserves the inherent rapid, non-contact, ambient characteristics of the ion source.\n
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\n \n\n \n \n \n \n \n Comparison of the Internal Energy Deposition of Direct Analysis in Real Time and Electrospray Ionization Time-of-Flight Mass Spectrometry.\n \n \n \n\n\n \n Harris, G. A.; Hostetler, D. M.; Hampton, C.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(5): 855–863. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{harris_comparison_2010,\n\ttitle = {Comparison of the {Internal} {Energy} {Deposition} of {Direct} {Analysis} in {Real} {Time} and {Electrospray} {Ionization} {Time}-of-{Flight} {Mass} {Spectrometry}},\n\tvolume = {21},\n\tdoi = {10.1016/j.jasms.2010.01.019},\n\tabstract = {The internal energy (Eint) distributions of a series of p-substituted benzylpyridinium ions generated by both direct analysis in real time (DART) and electrospray ionization (ESI) were compared using the “survival yield” method. DART mean Eint values at gas flow rates of 2, 4, and 6 L min−1, and at set temperatures of 175, 250, and 325 °C were in the 1.92–2.21 eV range. ESI mean Eint  at identical temperatures in aqueous and 50\\% methanol solutions ranged between 1.71 and 1.96 eV, and 1.53 and 1.63 eV, respectively. Although the results indicated that ESI is a “softer” ionization technique than DART, there was overlap between the two techniques for the particular time-of-flight mass spectrometer used. As a whole, there was an increase in Eint with increasing reactive and drying gas temperatures for DART and ESI, respectively, indicating thermal ion activation. Three dimensional computational fluid dynamic simulations in combination with direct temperature measurements within the DART ionization region revealed complex inversely coupled fluid-thermal phenomena affecting ion Eint values during atmospheric transport. Primarily, that DART gas temperature in the ionization region was appreciably less than the set gas temperature of DART due to the set gas flow rates. There was no evidence of Eint deposition pathways from metastable-stimulated desorption, but fragmentation induced by high-energy helium metastables was observed at the highest gas flow rates and temperatures.},\n\tnumber = {5},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Harris, G. A. and Hostetler, D. M. and Hampton, C.Y. and Fernández, F. M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {855--863},\n}\n\n\n\n
\n
\n\n\n
\n The internal energy (Eint) distributions of a series of p-substituted benzylpyridinium ions generated by both direct analysis in real time (DART) and electrospray ionization (ESI) were compared using the “survival yield” method. DART mean Eint values at gas flow rates of 2, 4, and 6 L min−1, and at set temperatures of 175, 250, and 325 °C were in the 1.92–2.21 eV range. ESI mean Eint at identical temperatures in aqueous and 50% methanol solutions ranged between 1.71 and 1.96 eV, and 1.53 and 1.63 eV, respectively. Although the results indicated that ESI is a “softer” ionization technique than DART, there was overlap between the two techniques for the particular time-of-flight mass spectrometer used. As a whole, there was an increase in Eint with increasing reactive and drying gas temperatures for DART and ESI, respectively, indicating thermal ion activation. Three dimensional computational fluid dynamic simulations in combination with direct temperature measurements within the DART ionization region revealed complex inversely coupled fluid-thermal phenomena affecting ion Eint values during atmospheric transport. Primarily, that DART gas temperature in the ionization region was appreciably less than the set gas temperature of DART due to the set gas flow rates. There was no evidence of Eint deposition pathways from metastable-stimulated desorption, but fragmentation induced by high-energy helium metastables was observed at the highest gas flow rates and temperatures.\n
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\n \n\n \n \n \n \n \n \n Small Molecule Ambient Mass Spectrometry Imaging by Infrared Laser Ablation Metastable-Induced Chemical Ionization.\n \n \n \n \n\n\n \n Galhena, A. S.; Harris, G. A.; Nyadong, L.; Murray, K. K.; and Fernández, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 82(6): 2178–2181. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"SmallPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{galhena_small_2010,\n\ttitle = {Small {Molecule} {Ambient} {Mass} {Spectrometry} {Imaging} by {Infrared} {Laser} {Ablation} {Metastable}-{Induced} {Chemical} {Ionization}},\n\tvolume = {82},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac902905v},\n\tdoi = {10.1021/ac902905v},\n\tabstract = {Presented here is a novel ambient ion source termed infrared laser ablation metastable-induced chemical ionization (IR-LAMICI). IR-LAMICI integrates IR laser ablation and direct analysis in real time (DART)-type metastable-induced chemical ionization for open air mass spectrometry (MS) ionization. The ion generation in the IR-LAMICI source is a two step process. First, IR laser pulses impinge the sample surface ablating surface material. Second, a portion of ablated material reacts with the metastable reactive plume facilitating gas-phase chemical ionization of analyte molecules generating protonated or deprotonated species in positive and negative ion modes, respectively. The successful coupling of IR-laser ablation with metastable-induced chemical ionization resulted in an ambient plasma-based spatially resolved small molecule imaging platform for mass spectrometry (MS). The analytical capabilities of IR-LAMICI are explored by imaging pharmaceutical tablets, screening counterfeit drugs, and probing algal tissue surfaces for natural products. The resolution of a chemical image is determined by the crater size produced with each laser pulse but not by the size of the metastable gas jet. The detection limits for an active pharmaceutical ingredient (acetaminophen) using the IR-LAMICI source is calculated to be low picograms. Furthermore, three-dimensional computational fluid dynamic simulations showed improvements in the IR-LAMICI ion source are possible.},\n\tnumber = {6},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Galhena, Asiri S. and Harris, Glenn A. and Nyadong, Leonard and Murray, Kermit K. and Fernández, Facundo M.},\n\tyear = {2010},\n\tkeywords = {Thermo Ion Trap},\n\tpages = {2178--2181},\n}\n\n\n\n
\n
\n\n\n
\n Presented here is a novel ambient ion source termed infrared laser ablation metastable-induced chemical ionization (IR-LAMICI). IR-LAMICI integrates IR laser ablation and direct analysis in real time (DART)-type metastable-induced chemical ionization for open air mass spectrometry (MS) ionization. The ion generation in the IR-LAMICI source is a two step process. First, IR laser pulses impinge the sample surface ablating surface material. Second, a portion of ablated material reacts with the metastable reactive plume facilitating gas-phase chemical ionization of analyte molecules generating protonated or deprotonated species in positive and negative ion modes, respectively. The successful coupling of IR-laser ablation with metastable-induced chemical ionization resulted in an ambient plasma-based spatially resolved small molecule imaging platform for mass spectrometry (MS). The analytical capabilities of IR-LAMICI are explored by imaging pharmaceutical tablets, screening counterfeit drugs, and probing algal tissue surfaces for natural products. The resolution of a chemical image is determined by the crater size produced with each laser pulse but not by the size of the metastable gas jet. The detection limits for an active pharmaceutical ingredient (acetaminophen) using the IR-LAMICI source is calculated to be low picograms. Furthermore, three-dimensional computational fluid dynamic simulations showed improvements in the IR-LAMICI ion source are possible.\n
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\n \n\n \n \n \n \n \n Routine analysis and characterization of highly insoluble polycyclic aromatic compounds by direct analysis in real time mass spectrometry (DART).\n \n \n \n\n\n \n Domin, M.; Steinberg, B.; Quimby, J.; Smith, N.; Greene, A.; and Scott, L.\n\n\n \n\n\n\n Analyst, 135(4): 700–704. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{domin_routine_2010,\n\ttitle = {Routine analysis and characterization of highly insoluble polycyclic aromatic compounds by direct analysis in real time mass spectrometry ({DART})},\n\tvolume = {135},\n\tdoi = {10.1039/b923300h},\n\tabstract = {Direct Analysis in Real Time (DART), is used for the first time for the routine rapid analysis of highly insoluble polycyclic aromatic compounds. Direct analysis of such compounds as solid samples under solvent-free conditions shows that DART is a powerful analytical platform capable of providing high-throughput analysis for these complex samples, requiring no special sample pre-treatment or instrument setup.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Domin, M.A. and Steinberg, B.D. and Quimby, J.M. and Smith, N.J. and Greene, A.K. and Scott, L.T.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {700--704},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART), is used for the first time for the routine rapid analysis of highly insoluble polycyclic aromatic compounds. Direct analysis of such compounds as solid samples under solvent-free conditions shows that DART is a powerful analytical platform capable of providing high-throughput analysis for these complex samples, requiring no special sample pre-treatment or instrument setup.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART) Mass Spectrometry of Nucleotides and Nucleosides: Elucidation of a Novel Fragment [C5H5O]+ and Its In-Source Adducts.\n \n \n \n\n\n \n Curtis, M. E.; Minier, M. A.; Chitranshi, P.; Sparkman, O. D.; Jones, P. R.; and Xue, L.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(8): 1371–1381. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{curtis_direct_2010,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry} of {Nucleotides} and {Nucleosides}: {Elucidation} of a {Novel} {Fragment} [{C5H5O}]+ and {Its} {In}-{Source} {Adducts}},\n\tvolume = {21},\n\tdoi = {10.1016/j.jasms.2010.03.046},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry is a recently developed innovative technology, which has shown broad applications for fast and convenient analysis of complex samples. Due to the ease of sample preparation, we have recently initiated an investigation of the feasibility of detecting nucleotides and nucleosides using the DART-AccuTOF instrument, which we will refer to as the DART mass spectrometer. Our experimental results reveal that the ions representing the intact molecules of nucleotides are not detectable in either positive-ion or negative-ion mode. Instead, all four natural nucleotides fragment in the DART ion source, and a common fragment ion, [C5H5O]+ (1), is observed, which is probably formed via multiple- elimination reactions. Interestingly, 1  can form adducts with nucleobases in different molar ratios in the DART ion source. In contrast to nucleotides, the ions representing the intact molecules of nucleosides are detected in both positive-ion and negative-ion mode using DART mass spectrometry. Surprisingly, the fragmentation pattern of nucleosides is different from that of nucleotides in the DART ion source. In the cases of nucleosides (under positive-ion conditions), the production of 1 is not observed, indicating that the phosphate group plays an important role for the multiple eliminations observed in the spectra of nucleotides. The in-source reactions described in the present work show the complexity of the conditions in the DART ion source, and we hope that our results illustrate a better understanding about DART mass spectrometry.},\n\tnumber = {8},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Curtis, M. E. and Minier, M. A. and Chitranshi, P. and Sparkman, O. D. and Jones, P. R. and Xue, L.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1371--1381},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) mass spectrometry is a recently developed innovative technology, which has shown broad applications for fast and convenient analysis of complex samples. Due to the ease of sample preparation, we have recently initiated an investigation of the feasibility of detecting nucleotides and nucleosides using the DART-AccuTOF instrument, which we will refer to as the DART mass spectrometer. Our experimental results reveal that the ions representing the intact molecules of nucleotides are not detectable in either positive-ion or negative-ion mode. Instead, all four natural nucleotides fragment in the DART ion source, and a common fragment ion, [C5H5O]+ (1), is observed, which is probably formed via multiple- elimination reactions. Interestingly, 1 can form adducts with nucleobases in different molar ratios in the DART ion source. In contrast to nucleotides, the ions representing the intact molecules of nucleosides are detected in both positive-ion and negative-ion mode using DART mass spectrometry. Surprisingly, the fragmentation pattern of nucleosides is different from that of nucleotides in the DART ion source. In the cases of nucleosides (under positive-ion conditions), the production of 1 is not observed, indicating that the phosphate group plays an important role for the multiple eliminations observed in the spectra of nucleotides. The in-source reactions described in the present work show the complexity of the conditions in the DART ion source, and we hope that our results illustrate a better understanding about DART mass spectrometry.\n
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\n \n\n \n \n \n \n \n Selective ionization of melamine in powdered milk by using argon direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Dane, A. J.; and Cody, R. B.\n\n\n \n\n\n\n Analyst, 135(4): 696–699. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{dane_selective_2010,\n\ttitle = {Selective ionization of melamine in powdered milk by using argon direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {135},\n\tdoi = {10.1039/B923561B},\n\tabstract = {5-Hydroxymethylfurfural (5-HMF) is a compound with the elemental composition C6H6O3 that is present in powdered milk. Protonated 5-HMF (calculated m/z 127.0395) has the same nominal m/z as protonated melamine (calculated m/z 127.0732) and can interfere with direct analysis of melamine in powdered milk. Tandem mass spectrometry and high-resolution mass spectrometry have been previously used to distinguish melamine from 5-HMF. An alternative approach is presented here that uses the direct analysis in real time (DART) ion source operated with argon gas in combination with acetylacetone and pyridine reagent gases to selectively ionize melamine and eliminate the interference from 5-HMF. High-resolution/accurate mass data were used to verify the elimination of the 5-HMF interference and confirm the melamine elemental composition. With further refinement, this technique could lead to a rapid analysis method for screening large numbers of samples.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Dane, A. John and Cody, R. B.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {696--699},\n}\n\n\n\n
\n
\n\n\n
\n 5-Hydroxymethylfurfural (5-HMF) is a compound with the elemental composition C6H6O3 that is present in powdered milk. Protonated 5-HMF (calculated m/z 127.0395) has the same nominal m/z as protonated melamine (calculated m/z 127.0732) and can interfere with direct analysis of melamine in powdered milk. Tandem mass spectrometry and high-resolution mass spectrometry have been previously used to distinguish melamine from 5-HMF. An alternative approach is presented here that uses the direct analysis in real time (DART) ion source operated with argon gas in combination with acetylacetone and pyridine reagent gases to selectively ionize melamine and eliminate the interference from 5-HMF. High-resolution/accurate mass data were used to verify the elimination of the 5-HMF interference and confirm the melamine elemental composition. With further refinement, this technique could lead to a rapid analysis method for screening large numbers of samples.\n
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\n \n\n \n \n \n \n \n An ultra superfast identification of low-molecular components of pharmaceuticals by DART mass spectrometry.\n \n \n \n\n\n \n Chernetsova, E.; Bochkov, P.; Ovcharov, M.; Zatonskii, G.; and Abramovich, R.\n\n\n \n\n\n\n Journal of Analytical Chemistry, 65(14): 1537–1539. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_ultra_2010,\n\ttitle = {An ultra superfast identification of low-molecular components of pharmaceuticals by {DART} mass spectrometry},\n\tvolume = {65},\n\tnumber = {14},\n\tjournal = {Journal of Analytical Chemistry},\n\tauthor = {Chernetsova, E.S. and Bochkov, P.O. and Ovcharov, M.V. and Zatonskii, G.V. and Abramovich, R.A.},\n\tyear = {2010},\n\tkeywords = {DART; AccuTOF},\n\tpages = {1537--1539},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Investigations on the Coupling of High-Performance Liquid Chromatography to Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Eberherr, W.; Buchberger, W.; Hertsens, R.; and Klampfl, C.\n\n\n \n\n\n\n Analytical Chemistry, 82(13): 5792–5796. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{eberherr_investigations_2010,\n\ttitle = {Investigations on the {Coupling} of {High}-{Performance} {Liquid} {Chromatography} to {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {82},\n\tdoi = {10.1021/ac1008496},\n\tabstract = {A novel hyphenated technique namely the combination of HPLC with direct analysis in real time (DART) mass spectrometry (MS) is presented. The coupling of HPLC to DART-MS was achieved by a simple interface design with a capillary end piece transferring the HPLC effluent to the ionization region of the DART. Flow rates (0.3−1.6 mL min−1) and inner diameters of the capillary (50−150 μm) were harmonized to provide a stable liquid jet. Ionization-related parameters optimized included positioning of the capillary end piece with respect to He outlet of the ionization source and the MS inlet, He heater temperature and He flow rate. Among DART-MS voltages, the grid electrode voltage proved to have the most pronounced effect on signal intensities. A major benefit of this setup is the possibility to employ (commonly not MS-compatible) HPLC eluents such as phosphate buffers up to a phosphate concentration of 120 mM even at typical HPLC flow rates such as 1 mL min−1  and above without negative side effects like contamination of the ion source or ion suppression. Experiments evaluating the correlation of signal intensity to mass-flow and concentration revealed that DART-MS can be seen as a mass flow sensitive detector. The usability of this hyphenated technique has been tested on the example of four parabenes (measured in the negative ion mode) as well as a set of pyrazine derivatives (measured in the positive ion mode). For the parabenes limits of detection (LOD) in the range of 20−55 μg L−1 and linear ranges from at least 200−10000 μg L−1 with correlation coefficients better than 0.997 were obtained.},\n\tnumber = {13},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Eberherr, W. and Buchberger, W. and Hertsens, R. and Klampfl, C.W.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {5792--5796},\n}\n\n\n\n
\n
\n\n\n
\n A novel hyphenated technique namely the combination of HPLC with direct analysis in real time (DART) mass spectrometry (MS) is presented. The coupling of HPLC to DART-MS was achieved by a simple interface design with a capillary end piece transferring the HPLC effluent to the ionization region of the DART. Flow rates (0.3−1.6 mL min−1) and inner diameters of the capillary (50−150 μm) were harmonized to provide a stable liquid jet. Ionization-related parameters optimized included positioning of the capillary end piece with respect to He outlet of the ionization source and the MS inlet, He heater temperature and He flow rate. Among DART-MS voltages, the grid electrode voltage proved to have the most pronounced effect on signal intensities. A major benefit of this setup is the possibility to employ (commonly not MS-compatible) HPLC eluents such as phosphate buffers up to a phosphate concentration of 120 mM even at typical HPLC flow rates such as 1 mL min−1 and above without negative side effects like contamination of the ion source or ion suppression. Experiments evaluating the correlation of signal intensity to mass-flow and concentration revealed that DART-MS can be seen as a mass flow sensitive detector. The usability of this hyphenated technique has been tested on the example of four parabenes (measured in the negative ion mode) as well as a set of pyrazine derivatives (measured in the positive ion mode). For the parabenes limits of detection (LOD) in the range of 20−55 μg L−1 and linear ranges from at least 200−10000 μg L−1 with correlation coefficients better than 0.997 were obtained.\n
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\n \n\n \n \n \n \n \n Applications of Direct Analysis in Real Time Mass Spectrometry (DART-MS) in Allium Chemistry. 2-Propenesulfenic and 2-Propenesulfinic Acids, Diallyl Trisulfane S-Oxide, and Other Reactive Sulfur Compounds from Crushed Garlic and Other Alliums.\n \n \n \n\n\n \n Block, E.; Dane, A.; Thomas, S.; and Cody, R.\n\n\n \n\n\n\n Journal of Agricultural and Food Chemistry, 58(8): 4617–4625. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{block_applications_2010,\n\ttitle = {Applications of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) in {Allium} {Chemistry}. 2-{Propenesulfenic} and 2-{Propenesulfinic} {Acids}, {Diallyl} {Trisulfane} {S}-{Oxide}, and {Other} {Reactive} {Sulfur} {Compounds} from {Crushed} {Garlic} and {Other} {Alliums}},\n\tvolume = {58},\n\tdoi = {10.1021/jf1000106},\n\tabstract = {Through the use of direct analysis in real time mass spectrometry (DART-MS), 2-propenesulfenic acid, an intermediate long postulated as being formed when garlic (Allium sativum) is crushed, has been detected for the first time and determined by mass spectrometric methods to have a half-life of {\\textless}1 s at room temperature. Two other key intermediates, 2-propenesulfinic acid and diallyl trisulfane S-oxide, have also been detected for the first time in volatiles from crushed garlic, along with allicin and related thiosulfinates, allyl alcohol, sulfur dioxide, propene, and pyruvate as coproducts. A commercial dietary supplement containing garlic powder, which was sampled after crushing, was found to contain alliin, methiin, and S-allylcysteine and produced allicin upon addition of water. DART-MS detection of 1-butenesulfenic acid from the ornamental A. siculum is also reported. (Z)-Propanethial S-oxide (onion lachrymatory factor), absent in garlic, is found to be formed from crushed elephant garlic (Allium ampeloprasum), consistent with the classification of this plant as a closer relative of leek than of garlic. Mixtures of thiosulfinates, lachrymatory thial S-oxides, and related compounds are directly observed from crushed leek (Allium porrum) and Chinese chive (Allium tuberosum). Disulfanes and polysulfanes are detected only when the Allium samples are heated, consistent with earlier conclusions that these are not primary products from cut or crushed alliums.},\n\tnumber = {8},\n\tjournal = {Journal of Agricultural and Food Chemistry},\n\tauthor = {Block, E. and Dane, A.J. and Thomas, S. and Cody, R.B.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {4617--4625},\n}\n\n\n\n
\n
\n\n\n
\n Through the use of direct analysis in real time mass spectrometry (DART-MS), 2-propenesulfenic acid, an intermediate long postulated as being formed when garlic (Allium sativum) is crushed, has been detected for the first time and determined by mass spectrometric methods to have a half-life of \\textless1 s at room temperature. Two other key intermediates, 2-propenesulfinic acid and diallyl trisulfane S-oxide, have also been detected for the first time in volatiles from crushed garlic, along with allicin and related thiosulfinates, allyl alcohol, sulfur dioxide, propene, and pyruvate as coproducts. A commercial dietary supplement containing garlic powder, which was sampled after crushing, was found to contain alliin, methiin, and S-allylcysteine and produced allicin upon addition of water. DART-MS detection of 1-butenesulfenic acid from the ornamental A. siculum is also reported. (Z)-Propanethial S-oxide (onion lachrymatory factor), absent in garlic, is found to be formed from crushed elephant garlic (Allium ampeloprasum), consistent with the classification of this plant as a closer relative of leek than of garlic. Mixtures of thiosulfinates, lachrymatory thial S-oxides, and related compounds are directly observed from crushed leek (Allium porrum) and Chinese chive (Allium tuberosum). Disulfanes and polysulfanes are detected only when the Allium samples are heated, consistent with earlier conclusions that these are not primary products from cut or crushed alliums.\n
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\n \n\n \n \n \n \n \n \n Explosives Detection Using Direct Analysis in Real Time (DART) Mass Spectrometry.\n \n \n \n \n\n\n \n Nilles, J. M.; Connell, T. R.; Stokes, S. T.; and Dupont Durst, H.\n\n\n \n\n\n\n Propellants, Explosives, Pyrotechnics, 35(5): 446–451. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ExplosivesPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nilles_explosives_2010,\n\ttitle = {Explosives {Detection} {Using} {Direct} {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry}},\n\tvolume = {35},\n\tissn = {07213115},\n\turl = {http://doi.wiley.com/10.1002/prep.200900084},\n\tdoi = {10.1002/prep.200900084},\n\tabstract = {The growing use of explosives by terrorists and criminals creates a need for instrumentation which can rapidly analyze these energetic compounds, preferably on site. Direct analysis in real time (DART) is a promising technology for surface analysis with little or no sample preparation. Therefore, DART ionization is evaluated for use in detecting explosives on solid substrates and in liquid matrices. Fifteen explosives were chosen as a consequence of their common usage. Five surfaces were chosen to represent a wide range of physical properties such as composition, porosity, surface morphology, and thermal and electrical conductivity. Additionally these surfaces are commonly found in everyday surroundings. All 75 compound-surface combinations produced a clear, easily identifiable, mass spectra characteristic of the targeted analyte. Simultaneous detection of five explosives is demonstrated on these same surfaces. Lastly, rapid detection of trace contamination in common fluids is also explored.},\n\tnumber = {5},\n\turldate = {2012-04-18},\n\tjournal = {Propellants, Explosives, Pyrotechnics},\n\tauthor = {Nilles, J. Michael and Connell, Theresa R. and Stokes, Sarah T. and Dupont Durst, H.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {446--451},\n}\n\n\n\n
\n
\n\n\n
\n The growing use of explosives by terrorists and criminals creates a need for instrumentation which can rapidly analyze these energetic compounds, preferably on site. Direct analysis in real time (DART) is a promising technology for surface analysis with little or no sample preparation. Therefore, DART ionization is evaluated for use in detecting explosives on solid substrates and in liquid matrices. Fifteen explosives were chosen as a consequence of their common usage. Five surfaces were chosen to represent a wide range of physical properties such as composition, porosity, surface morphology, and thermal and electrical conductivity. Additionally these surfaces are commonly found in everyday surroundings. All 75 compound-surface combinations produced a clear, easily identifiable, mass spectra characteristic of the targeted analyte. Simultaneous detection of five explosives is demonstrated on these same surfaces. Lastly, rapid detection of trace contamination in common fluids is also explored.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of additives in poly(vinyl chloride) lid gaskets by direct analysis in real time ionisation and single-quadrupole mass spectrometry.\n \n \n \n \n\n\n \n Rothenbacher, T.; and Schwack, W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(1): 21–29. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{rothenbacher_rapid_2010,\n\ttitle = {Rapid identification of additives in poly(vinyl chloride) lid gaskets by direct analysis in real time ionisation and single-quadrupole mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4350},\n\tdoi = {10.1002/rcm.4350},\n\tabstract = {Gaskets for lids of glass jars usually consist of poly(vinyl chloride) (PVC) containing plasticisers and additional additives, which may migrate into packed foodstuffs. To conform to legal regulations, any such migration has to be determined analytically, which is a big challenge due to the huge chemical variety of additives in use. Therefore, a rapid screening method by means of direct analysis in real time mass spectrometry (DART-MS), using a single-quadrupole mass spectrometer, was developed. On introducing a plastisol sample into the DART interface, protonated molecules and ammonium adducts were obtained as the typical ionisation products of any additives present, and cleavages of ester bonds as typical fragmentation processes. Generally, additives present in the 1\\% range could be directly and easily identified if ion suppressive effects deriving from specific molecules did not occur. These effects could be avoided by analysing toluene extracts of plastisol samples, and this also improved the sensivity. Using this method, it was possible to identify phthalates, fatty acid amides, tributyl O-acetylcitrate, dibutyl sebacate, bis(2-ethylhexyl) adipate, 1,2-diisononyl 1,2-cyclohexanedicarboxylate, and even more complex additives like acetylated mono- and diacylglycerides, epoxidised soybean oil, and polyadipates, with a limit of detection of ≤1\\% in PVC plastisols. Only in the case of epoxidised linseed oil were levels of ≥5\\% required for identification. The detection of azodicarbonamide, used as a foaming agent within the manufacturing process, was possible in principle, but was not highly reproducible due to the very low concentrations in plastisols. Copyright © 2009 John Wiley \\& Sons, Ltd.},\n\tnumber = {1},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rothenbacher, Thorsten and Schwack, Wolfgang},\n\tyear = {2010},\n\tkeywords = {Agilent Quad},\n\tpages = {21--29},\n}\n\n\n\n
\n
\n\n\n
\n Gaskets for lids of glass jars usually consist of poly(vinyl chloride) (PVC) containing plasticisers and additional additives, which may migrate into packed foodstuffs. To conform to legal regulations, any such migration has to be determined analytically, which is a big challenge due to the huge chemical variety of additives in use. Therefore, a rapid screening method by means of direct analysis in real time mass spectrometry (DART-MS), using a single-quadrupole mass spectrometer, was developed. On introducing a plastisol sample into the DART interface, protonated molecules and ammonium adducts were obtained as the typical ionisation products of any additives present, and cleavages of ester bonds as typical fragmentation processes. Generally, additives present in the 1% range could be directly and easily identified if ion suppressive effects deriving from specific molecules did not occur. These effects could be avoided by analysing toluene extracts of plastisol samples, and this also improved the sensivity. Using this method, it was possible to identify phthalates, fatty acid amides, tributyl O-acetylcitrate, dibutyl sebacate, bis(2-ethylhexyl) adipate, 1,2-diisononyl 1,2-cyclohexanedicarboxylate, and even more complex additives like acetylated mono- and diacylglycerides, epoxidised soybean oil, and polyadipates, with a limit of detection of ≤1% in PVC plastisols. Only in the case of epoxidised linseed oil were levels of ≥5% required for identification. The detection of azodicarbonamide, used as a foaming agent within the manufacturing process, was possible in principle, but was not highly reproducible due to the very low concentrations in plastisols. Copyright © 2009 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n The use of DART mass spectrometry for express confirmation of empirical formulas of heterocyclic compounds.\n \n \n \n\n\n \n Chernetsova, E.; Ovcharov, M.; Khomyakov, Y. Y.; Bochkov, P.; and Varlamov, A.\n\n\n \n\n\n\n Russian Chemical Bulletin, 59(10): 2014–2015. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_use_2010,\n\ttitle = {The use of {DART} mass spectrometry for express confirmation of empirical formulas of heterocyclic compounds},\n\tvolume = {59},\n\tabstract = {The results of studying the possibility of using DART spectrometry with a time-of-flight mass analyzer to confirm the elemental composition of heterocyclic compounds are presented. The method makes it possible to rapidly determine the molecular weight and to calculate the empirical formula of organic synthesis product.},\n\tnumber = {10},\n\tjournal = {Russian Chemical Bulletin},\n\tauthor = {Chernetsova, E.S. and Ovcharov, M.V. and Khomyakov, Yu. Yu. and Bochkov, P.O. and Varlamov, A.V.},\n\tyear = {2010},\n\tkeywords = {DART mass spectrometry; heterocyclic compounds; AccuTOF},\n\tpages = {2014--2015},\n}\n\n\n\n
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\n The results of studying the possibility of using DART spectrometry with a time-of-flight mass analyzer to confirm the elemental composition of heterocyclic compounds are presented. The method makes it possible to rapidly determine the molecular weight and to calculate the empirical formula of organic synthesis product.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of stabilisers in polypropylene using time-of-flight mass spectrometry and DART as ion source.\n \n \n \n \n\n\n \n Haunschmidt, M.; Klampfl, C. W.; Buchberger, W.; and Hertsens, R.\n\n\n \n\n\n\n The Analyst, 135(1): 80. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{haunschmidt_rapid_2010,\n\ttitle = {Rapid identification of stabilisers in polypropylene using time-of-flight mass spectrometry and {DART} as ion source},\n\tvolume = {135},\n\tissn = {0003-2654, 1364-5528},\n\turl = {http://xlink.rsc.org/?DOI=b911040b},\n\tdoi = {10.1039/b911040b},\n\tabstract = {A method for analysing plastic samples without any sample pretreatment using direct analysis in real time mass spectrometry (DART-MS) was developed. DART-MS allows the direct, simple and rapid identification of polymer additives in plastic products. To demonstrate the suitability of DART-MS for the detection of a wide range of commonly employed stabilising agents, a test set of 21 stabilisers was selected. In a first step standard solutions of these stabilisers in toluene as well as toluene-extracts from polymer samples were analysed. Subsequently, to prove the applicability of the developed DART-MS method also for the direct analysis of plastic products, samples of polypropylene containing a range of stabilisers were prepared using a lab-scale compounder. Polymer samples were cut into 0.5 cm wide pieces and directly placed into the DART ion source. Focusing on the DART ionisation, several parameters like discharge needle potential, potential of the grid electrode and the discharge electrode, the heater temperature and the gas flow had to be varied to guarantee optimum results. Both positive and negative ionisation was tested, whereby the positive ion mode led to higher signal intensities for all analytes. Determination of accurate masses to improve the certainty in signal assignment could be achieved by using PEG 600 as an internal standard for mass calibration. The developed method allowed the detection of all selected additives (including some of their degradation products) in real polymer samples.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {The Analyst},\n\tauthor = {Haunschmidt, Manuela and Klampfl, Christian W. and Buchberger, Wolfgang and Hertsens, Robert},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {80},\n}\n\n\n\n
\n
\n\n\n
\n A method for analysing plastic samples without any sample pretreatment using direct analysis in real time mass spectrometry (DART-MS) was developed. DART-MS allows the direct, simple and rapid identification of polymer additives in plastic products. To demonstrate the suitability of DART-MS for the detection of a wide range of commonly employed stabilising agents, a test set of 21 stabilisers was selected. In a first step standard solutions of these stabilisers in toluene as well as toluene-extracts from polymer samples were analysed. Subsequently, to prove the applicability of the developed DART-MS method also for the direct analysis of plastic products, samples of polypropylene containing a range of stabilisers were prepared using a lab-scale compounder. Polymer samples were cut into 0.5 cm wide pieces and directly placed into the DART ion source. Focusing on the DART ionisation, several parameters like discharge needle potential, potential of the grid electrode and the discharge electrode, the heater temperature and the gas flow had to be varied to guarantee optimum results. Both positive and negative ionisation was tested, whereby the positive ion mode led to higher signal intensities for all analytes. Determination of accurate masses to improve the certainty in signal assignment could be achieved by using PEG 600 as an internal standard for mass calibration. The developed method allowed the detection of all selected additives (including some of their degradation products) in real polymer samples.\n
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\n \n\n \n \n \n \n \n \n The coupling of direct analysis in real time ionization to Fourier transform ion cyclotron resonance mass spectrometry for ultrahigh-resolution mass analysis.\n \n \n \n \n\n\n \n Rummel, J. L.; McKenna, A. M.; Marshall, A. G.; Eyler, J. R.; and Powell, D. H.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(6): 784–790. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{rummel_coupling_2010,\n\ttitle = {The coupling of direct analysis in real time ionization to {Fourier} transform ion cyclotron resonance mass spectrometry for ultrahigh-resolution mass analysis},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4450},\n\tdoi = {10.1002/rcm.4450},\n\tabstract = {Direct Analysis in Real Time (DART) is an ambient ionization technique for mass spectrometry that provides rapid and sensitive analyses with little or no sample preparation. DART has been reported primarily for mass analyzers of low to moderate resolving power such as quadrupole ion traps and time-of-flight (TOF) mass spectrometers. In the current work, a custom-built DART source has been successfully coupled to two different Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers for the first time. Comparison of spectra of the isobaric compounds, diisopropyl methylphosphonate and theophylline, acquired by 4.7 T FT-ICR MS and TOF MS, demonstrates that the TOF resolving power can be insufficient for compositionally complex samples. 9.4 T FT-ICR MS yielded the highest mass resolving power yet reported with DART ionization for 1,2-benzanthracene and 9,10-diphenylanthracene. Polycyclic aromatic hydrocarbons exhibit a spatial dependence in ionization mechanisms between the DART source and the mass spectrometer. The feasibility of analyzing a variety of samples was established with the introduction and analysis of food products and crude oil samples. DART FT-ICR MS provides complex sample analysis that is rapid, highly selective and information-rich, but limited to relatively low-mass analytes. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {6},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rummel, Julia L. and McKenna, Amy M. and Marshall, Alan G. and Eyler, John R. and Powell, David H.},\n\tyear = {2010},\n\tkeywords = {FT-ICR},\n\tpages = {784--790},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Direct Analysis in Real Time (DART) is an ambient ionization technique for mass spectrometry that provides rapid and sensitive analyses with little or no sample preparation. DART has been reported primarily for mass analyzers of low to moderate resolving power such as quadrupole ion traps and time-of-flight (TOF) mass spectrometers. In the current work, a custom-built DART source has been successfully coupled to two different Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers for the first time. Comparison of spectra of the isobaric compounds, diisopropyl methylphosphonate and theophylline, acquired by 4.7 T FT-ICR MS and TOF MS, demonstrates that the TOF resolving power can be insufficient for compositionally complex samples. 9.4 T FT-ICR MS yielded the highest mass resolving power yet reported with DART ionization for 1,2-benzanthracene and 9,10-diphenylanthracene. Polycyclic aromatic hydrocarbons exhibit a spatial dependence in ionization mechanisms between the DART source and the mass spectrometer. The feasibility of analyzing a variety of samples was established with the introduction and analysis of food products and crude oil samples. DART FT-ICR MS provides complex sample analysis that is rapid, highly selective and information-rich, but limited to relatively low-mass analytes. Copyright © 2010 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Determination of organic UV filters in water by stir bar sorptive extraction and direct analysis in real-time mass spectrometry.\n \n \n \n\n\n \n Haunschmidt, M.; Klampfl, C.; Buchberger, W.; and Hertsens, R.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 397(1): 269–275. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_determination_2010,\n\ttitle = {Determination of organic {UV} filters in water by stir bar sorptive extraction and direct analysis in real-time mass spectrometry},\n\tvolume = {397},\n\tdoi = {10.1007/s00216-009-3438-9},\n\tabstract = {A screening method for analyzing environmental waters contaminated with UV filters using direct analysis in real-time mass spectrometry (DART-MS) was developed. To demonstrate the suitability of DART-MS a test set of seven organic UV filters, namely benzophenone-3 (BP-3), ethylhexyl dimethyl p-aminobenzoate (OD-PABA), 4-t-butyl-4′-methoxydibenzoylmethane (BM-DBM), homomethyl salicylate (HMS), 2-(ethylhexyl) salicylate (EHS), octocrylene (OC), and 4-methylbenzylidene camphor (4-MBC), was defined. In the first step, standard solutions of the analytes prepared in methanol were investigated in order to determine optimum parameters for the DART-MS. Because of the very low concentrations of UV filters expected in environmental water samples, a pre-concentration step using stir bar sorptive extraction was performed. DART-MS allows the direct, simple and rapid semi-quantitative analysis of the analytes enriched on the surface of the polydimethylsiloxane-coated stir bars. The optimized method provided calibration curves with correlation coefficients R{\\textgreater}0.959, repeatability from 5\\% (for 4-MBC) to 30\\% (for BM-DBM) relative standard deviation and limits of detection lower than 40 ng L−1 for all analytes. Finally, real lake water samples from locations with typical leisure activities were analyzed. Results obtained with the developed DART-MS method were cross-checked by confirmatory analysis using thermodesorption gas chromatography mass spectrometry (TD-GC-MS). Thereby, it could be demonstrated that both analytical methods provide comparable concentrations for the UV filters in the lake water samples.},\n\tnumber = {1},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Haunschmidt, Manuela and Klampfl, Christian and Buchberger, Wolfgang and Hertsens, Robert},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {269--275},\n}\n\n\n\n
\n
\n\n\n
\n A screening method for analyzing environmental waters contaminated with UV filters using direct analysis in real-time mass spectrometry (DART-MS) was developed. To demonstrate the suitability of DART-MS a test set of seven organic UV filters, namely benzophenone-3 (BP-3), ethylhexyl dimethyl p-aminobenzoate (OD-PABA), 4-t-butyl-4′-methoxydibenzoylmethane (BM-DBM), homomethyl salicylate (HMS), 2-(ethylhexyl) salicylate (EHS), octocrylene (OC), and 4-methylbenzylidene camphor (4-MBC), was defined. In the first step, standard solutions of the analytes prepared in methanol were investigated in order to determine optimum parameters for the DART-MS. Because of the very low concentrations of UV filters expected in environmental water samples, a pre-concentration step using stir bar sorptive extraction was performed. DART-MS allows the direct, simple and rapid semi-quantitative analysis of the analytes enriched on the surface of the polydimethylsiloxane-coated stir bars. The optimized method provided calibration curves with correlation coefficients R\\textgreater0.959, repeatability from 5% (for 4-MBC) to 30% (for BM-DBM) relative standard deviation and limits of detection lower than 40 ng L−1 for all analytes. Finally, real lake water samples from locations with typical leisure activities were analyzed. Results obtained with the developed DART-MS method were cross-checked by confirmatory analysis using thermodesorption gas chromatography mass spectrometry (TD-GC-MS). Thereby, it could be demonstrated that both analytical methods provide comparable concentrations for the UV filters in the lake water samples.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry: a fast screening of solid pharmaceuticals for the presence of an active ingredient, as an alternative for IR spectroscopy.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Bochkov, P. O.; Ovcharov, M. V.; Zhokhov, S. S.; and Abramovich, R. A.\n\n\n \n\n\n\n Drug Testing and Analysis, 2(6): 292–294. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_dart_2010,\n\ttitle = {{DART} mass spectrometry: a fast screening of solid pharmaceuticals for the presence of an active ingredient, as an alternative for {IR} spectroscopy},\n\tvolume = {2},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.136},\n\tdoi = {10.1002/dta.136},\n\tabstract = {The application of DART as a choice analytical tool for rapid analysis of counterfeit pharmaceuticals is discussed. DART technology shows considerable promise for rapid, ‘investigator friendly’ studies of ingredients contained within pharmaceuticals. Its user friendly approach renders it as an attractive, rapid, labour saving tool in comparison to its traditional IR counterpart.},\n\tnumber = {6},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Chernetsova, Elena S. and Bochkov, Pavel O. and Ovcharov, Maxim V. and Zhokhov, Sergey S. and Abramovich, Rimma A.},\n\tyear = {2010},\n\tpages = {292--294},\n}\n\n\n\n
\n
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\n The application of DART as a choice analytical tool for rapid analysis of counterfeit pharmaceuticals is discussed. DART technology shows considerable promise for rapid, ‘investigator friendly’ studies of ingredients contained within pharmaceuticals. Its user friendly approach renders it as an attractive, rapid, labour saving tool in comparison to its traditional IR counterpart.\n
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\n \n\n \n \n \n \n \n A Rapid Technique for the Confirmation of Iodine and Red Phosphorus Using Direct Analysis in Real Time and Accurate Mass Spectrometry.\n \n \n \n\n\n \n Steiner, R. R\n\n\n \n\n\n\n Microgram J, 7(1): 3–6. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{steiner_rapid_2010,\n\ttitle = {A {Rapid} {Technique} for the {Confirmation} of {Iodine} and {Red} {Phosphorus} {Using} {Direct} {Analysis} in {Real} {Time} and {Accurate} {Mass} {Spectrometry}},\n\tvolume = {7},\n\tabstract = {Iodine and red phosphorus are chemicals commonly seen in clandestine methamphetamine laboratories. Current analytical methods used for the confirmation of these chemicals include FTIR and GC/MS, usually after a derivatization or reaction with other compounds. X-ray diffraction and scanning electron microscope-energy dispersive x-ray analysis are also used to confirm these chemicals, but all of these techniques tend to be time-consuming or produce poisonous products. A novel technique, using the JEOL-IonSense AccuTOF-DART system, has been developed which yields accurate mass spectra usually in less than ten minutes of analysis time, with no sample preparation.},\n\tnumber = {1},\n\tjournal = {Microgram J},\n\tauthor = {Steiner, Robert R},\n\tyear = {2010},\n\tpages = {3--6},\n}\n\n\n\n
\n
\n\n\n
\n Iodine and red phosphorus are chemicals commonly seen in clandestine methamphetamine laboratories. Current analytical methods used for the confirmation of these chemicals include FTIR and GC/MS, usually after a derivatization or reaction with other compounds. X-ray diffraction and scanning electron microscope-energy dispersive x-ray analysis are also used to confirm these chemicals, but all of these techniques tend to be time-consuming or produce poisonous products. A novel technique, using the JEOL-IonSense AccuTOF-DART system, has been developed which yields accurate mass spectra usually in less than ten minutes of analysis time, with no sample preparation.\n
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\n \n\n \n \n \n \n \n \n Bambusae Caulis in Taeniam extract reduces ovalbumin-induced airway inflammation and T helper 2 responses in mice.\n \n \n \n \n\n\n \n Ra, J.; Lee, S.; Kim, H.; Jang, Y.; Ahn, H.; and Kim, J.\n\n\n \n\n\n\n Journal of Ethnopharmacology, 128(1): 241–247. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"BambusaePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{ra_bambusae_2010,\n\ttitle = {Bambusae {Caulis} in {Taeniam} extract reduces ovalbumin-induced airway inflammation and {T} helper 2 responses in mice},\n\tvolume = {128},\n\turl = {http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6T8D-4Y5BMD1-B&_user=10&_coverDate=03%2F02%2F2010&_rdoc=1&_fmt=high&_orig=search&_sort=d&_docanchor=&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=4d40845f392128c88900870785447421},\n\tdoi = {10.1016/j.jep.2010.01.023},\n\tabstract = {Ethnopharmacological relevance Bambusae Caulis in Taeniam (BC) was known as traditional herbal medicine with anti-inflammatory property in the Orient. Aim of the study Allergic asthma is inflammatory disease of airways associated with enhanced T helper (Th) 2 lymphocytes responses to allergens, leading to eosinophilic infiltration and elevated serum IgE levels. Although there were some studies that BC extract had an anti-inflammatory property, there was no study on asthma. In present study, we investigated the suitability of BC extract as a therapeutic candidate in the treatment of allergic airway disease in ovalbumin-induced asthma model. Materials and methods Balb/C mice (female, 6 weeks old) were treated by ovalbumin sensitization and nebulization, and used as asthma model. The number of eosinophil in bronchoalveolar lavage (BAL) fluid and the degree of eosinophila were investigated by hematoxylin and eosin stain and the infiltration of inflammatory cells into lung tissues was examined by staining by hematoxylin and eosin solution. The levels of interleukin (IL)-4 in BAL fluid, immunoglobulin E (IgE) in serum, interferon (IFN)-γ and IL-4 production in splenocyte culture from Balb/C mice (not treated, 6 weeks old) that incubated with or without BC extract for 48 h were determined by enzyme-linked immunosorbent assay. Results The level of eosinophils was decreased by treatment of the animals with BC extract (40 mg/kg) and correspondingly, a significantly lowered degree of eosinophila was also reported (p {\\textless} 0.01). In lung tissue, BC extract reduced the increased immune cell infiltration induced by OVA (p {\\textless} 0.05). Furthermore, the levels of IL-4 and IgE in BAL fluid or serum up-regulated by OVA was decreased by BC extract. Finally, IFN-γ production was significantly increased (p {\\textless} 0.01), while IL-4 production significantly decreased (p {\\textless} 0.01), after treatment of the culture supernatants of splenocytes with BC extract. Conclusions These results indicated that BC extract reduces OVA-induced airway inflammation and Th 2 response in mice, suggesting that BC extract can be a therapeutic candidate for allergic airway disease, including asthma.},\n\tnumber = {1},\n\tjournal = {Journal of Ethnopharmacology},\n\tauthor = {Ra, J. and Lee, S. and Kim, H.J. and Jang, Y.P. and Ahn, H. and Kim, J.},\n\tyear = {2010},\n\tkeywords = {Airway inflammation; Bambusae Caulis in Taeniam; Herbal medicine; AccuTOF},\n\tpages = {241--247},\n}\n\n\n\n
\n
\n\n\n
\n Ethnopharmacological relevance Bambusae Caulis in Taeniam (BC) was known as traditional herbal medicine with anti-inflammatory property in the Orient. Aim of the study Allergic asthma is inflammatory disease of airways associated with enhanced T helper (Th) 2 lymphocytes responses to allergens, leading to eosinophilic infiltration and elevated serum IgE levels. Although there were some studies that BC extract had an anti-inflammatory property, there was no study on asthma. In present study, we investigated the suitability of BC extract as a therapeutic candidate in the treatment of allergic airway disease in ovalbumin-induced asthma model. Materials and methods Balb/C mice (female, 6 weeks old) were treated by ovalbumin sensitization and nebulization, and used as asthma model. The number of eosinophil in bronchoalveolar lavage (BAL) fluid and the degree of eosinophila were investigated by hematoxylin and eosin stain and the infiltration of inflammatory cells into lung tissues was examined by staining by hematoxylin and eosin solution. The levels of interleukin (IL)-4 in BAL fluid, immunoglobulin E (IgE) in serum, interferon (IFN)-γ and IL-4 production in splenocyte culture from Balb/C mice (not treated, 6 weeks old) that incubated with or without BC extract for 48 h were determined by enzyme-linked immunosorbent assay. Results The level of eosinophils was decreased by treatment of the animals with BC extract (40 mg/kg) and correspondingly, a significantly lowered degree of eosinophila was also reported (p \\textless 0.01). In lung tissue, BC extract reduced the increased immune cell infiltration induced by OVA (p \\textless 0.05). Furthermore, the levels of IL-4 and IgE in BAL fluid or serum up-regulated by OVA was decreased by BC extract. Finally, IFN-γ production was significantly increased (p \\textless 0.01), while IL-4 production significantly decreased (p \\textless 0.01), after treatment of the culture supernatants of splenocytes with BC extract. Conclusions These results indicated that BC extract reduces OVA-induced airway inflammation and Th 2 response in mice, suggesting that BC extract can be a therapeutic candidate for allergic airway disease, including asthma.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time Ion Source.\n \n \n \n\n\n \n Cody, R. B.; and Dane, A. J.\n\n\n \n\n\n\n In Meyers, R. A., editor(s), Encyclopedia of Analytical Chemistry. John Wiley & Sons, Ltd., Published online: December 15, 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@incollection{cody_direct_2010,\n\taddress = {Published online: December 15},\n\ttitle = {Direct {Analysis} in {Real} {Time} {Ion} {Source}},\n\tisbn = {978-0-470-02731-8},\n\tabstract = {Direct Analysis in Real Time (DARTTM) refers to an atmospheric-pressure “open-air” ion source that is based on the interaction of long-lived (“metastable”) excited-state neutral atoms or molecules with analytes and atmospheric gases. The DART source is used for the rapid analysis of liquids, solids, vapors, or materials on surfaces in open air with little or no sample preparation.},\n\tbooktitle = {Encyclopedia of {Analytical} {Chemistry}},\n\tpublisher = {John Wiley \\& Sons, Ltd.},\n\tauthor = {Cody, Robert B. and Dane, A. John},\n\teditor = {Meyers, Robert A.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DARTTM) refers to an atmospheric-pressure “open-air” ion source that is based on the interaction of long-lived (“metastable”) excited-state neutral atoms or molecules with analytes and atmospheric gases. The DART source is used for the rapid analysis of liquids, solids, vapors, or materials on surfaces in open air with little or no sample preparation.\n
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\n \n\n \n \n \n \n \n \n Molecular Analysis of Primary Vapor and Char Products during Stepwise Pyrolysis of Poplar Biomass.\n \n \n \n \n\n\n \n Jones, R. W.; Reinot, T.; and McClelland, J. F.\n\n\n \n\n\n\n Energy & Fuels, 24(9): 5199–5209. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"MolecularPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{jones_molecular_2010,\n\ttitle = {Molecular {Analysis} of {Primary} {Vapor} and {Char} {Products} during {Stepwise} {Pyrolysis} of {Poplar} {Biomass}},\n\tvolume = {24},\n\turl = {http://dx.doi.org/10.1021/ef100655n},\n\tdoi = {10.1021/ef100655n},\n\tabstract = {Pyrolysis of biomass produces both pyrolysis oil and solid char. In this study, poplar has been pyrolyzed in a stepwise fashion over a series of temperatures from 200 to 500 °C, and both the primary products contributing to pyrolysis oil and the changes in the pyrolyzing poplar surface leading toward char have been characterized at each step. The primary products were identified by direct analysis in real time (DART) mass spectrometry, and the changes in the poplar surface were monitored using Fourier transform infrared (FTIR) photoacoustic spectroscopy, with a sampling depth of a few micrometers. The primary products from pyrolyzing cellulose, xylan, and lignin under similar conditions were also characterized to identify the sources of the poplar products.},\n\tnumber = {9},\n\tjournal = {Energy \\& Fuels},\n\tauthor = {Jones, Roger W. and Reinot, Tonu and McClelland, John F.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {5199--5209},\n}\n\n\n\n
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\n Pyrolysis of biomass produces both pyrolysis oil and solid char. In this study, poplar has been pyrolyzed in a stepwise fashion over a series of temperatures from 200 to 500 °C, and both the primary products contributing to pyrolysis oil and the changes in the pyrolyzing poplar surface leading toward char have been characterized at each step. The primary products were identified by direct analysis in real time (DART) mass spectrometry, and the changes in the poplar surface were monitored using Fourier transform infrared (FTIR) photoacoustic spectroscopy, with a sampling depth of a few micrometers. The primary products from pyrolyzing cellulose, xylan, and lignin under similar conditions were also characterized to identify the sources of the poplar products.\n
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\n \n\n \n \n \n \n \n \n Transmission-mode direct analysis in real time and desorption electrospray ionization mass spectrometry of insecticide-treated bednets for malaria control.\n \n \n \n \n\n\n \n Perez, J. J.; Harris, G. A.; Chipuk, J. E.; Brodbelt, J. S.; Green, M. D.; Hampton, C. Y.; and Fernandez, F. M.\n\n\n \n\n\n\n Analyst, 135(4): 712–719. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"Transmission-modePaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{perez_transmission-mode_2010,\n\ttitle = {Transmission-mode direct analysis in real time and desorption electrospray ionization mass spectrometry of insecticide-treated bednets for malaria control},\n\tvolume = {135},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/B924533B},\n\tabstract = {Transmission-mode direct analysis in real time (TM-DART) is presented as an alternative sampling strategy to traditional methods of sample introduction for DART MS analysis. A custom-designed sample holder was fabricated to rapidly and reproducibly position insecticide-treated nets normal to the ionizing metastable gas stream, enabling transmission of desorbed analyte ions through the holder cavity and into the MS. Introduction of the sample at this fixed geometry eliminates the need for optimizing sample position and allows spectra based on factors such as metastable gas temperature and flow to be systematically evaluated. The results presented here, supported by computational fluid dynamic simulations, demonstrate the effects of these factors on the resulting mass spectra and the potential of this sampling strategy to be used for qualitative and quantitative analyses. Transmission-mode desorption electrospray ionization (TM-DESI) experiments on similar insecticide-treated nets were performed for comparison purposes.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Perez, Jose J. and Harris, Glenn A. and Chipuk, Joseph E. and Brodbelt, Jennifer S. and Green, Michael D. and Hampton, Christina Y. and Fernandez, Facundo M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {712--719},\n}\n\n\n\n
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\n Transmission-mode direct analysis in real time (TM-DART) is presented as an alternative sampling strategy to traditional methods of sample introduction for DART MS analysis. A custom-designed sample holder was fabricated to rapidly and reproducibly position insecticide-treated nets normal to the ionizing metastable gas stream, enabling transmission of desorbed analyte ions through the holder cavity and into the MS. Introduction of the sample at this fixed geometry eliminates the need for optimizing sample position and allows spectra based on factors such as metastable gas temperature and flow to be systematically evaluated. The results presented here, supported by computational fluid dynamic simulations, demonstrate the effects of these factors on the resulting mass spectra and the potential of this sampling strategy to be used for qualitative and quantitative analyses. Transmission-mode desorption electrospray ionization (TM-DESI) experiments on similar insecticide-treated nets were performed for comparison purposes.\n
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\n \n\n \n \n \n \n \n Allium chemistry: Use of new instrumental techniques to “see” reactive organosulfur species formed upon crushing garlic and onion.\n \n \n \n\n\n \n Block, E.; Cody, R.; Dane, A.; Sheridan, R.; Vattekkatte, A.; and Wang, K.\n\n\n \n\n\n\n Pure and Applied Chemistry, 82(3): 535–539. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{block_allium_2010,\n\ttitle = {Allium chemistry: {Use} of new instrumental techniques to “see” reactive organosulfur species formed upon crushing garlic and onion},\n\tvolume = {82},\n\tdoi = {10.1351/PAC-CON-09-08-12},\n\tabstract = {Three different instrumental methods have been used to examine the organosulfur chemistry of intact and cut garlic and onions: X-ray fluorescence spectroscopic imaging (XFS), direct analysis in real time (DART) mass spec-trometry, and ultra-performance liquid chromatography-(Ag+)-coordination ion spray mass spectrometry (UPLC–(Ag+)CIS–MS). The first technique has been used to map the location of different chemical forms of sulfur in intact and damaged onion cells, the second technique, to identify the reactive, volatile sulfur compounds formed on cutting the plants, and the third technique, to identify members of families of polysulfides  found in the distilled oil of garlic.},\n\tnumber = {3},\n\tjournal = {Pure and Applied Chemistry},\n\tauthor = {Block, E. and Cody, R.B. and Dane, A.J. and Sheridan, R. and Vattekkatte, A. and Wang, K.},\n\tyear = {2010},\n\tkeywords = {direct analysis in real time; garlic; mass spectrometry; onion; sulfur compounds; ultra-performance liquid chromatography; X-ray fluorescence spectroscopy, AccuTOF},\n\tpages = {535--539},\n}\n\n\n\n
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\n Three different instrumental methods have been used to examine the organosulfur chemistry of intact and cut garlic and onions: X-ray fluorescence spectroscopic imaging (XFS), direct analysis in real time (DART) mass spec-trometry, and ultra-performance liquid chromatography-(Ag+)-coordination ion spray mass spectrometry (UPLC–(Ag+)CIS–MS). The first technique has been used to map the location of different chemical forms of sulfur in intact and damaged onion cells, the second technique, to identify the reactive, volatile sulfur compounds formed on cutting the plants, and the third technique, to identify members of families of polysulfides found in the distilled oil of garlic.\n
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\n \n\n \n \n \n \n \n \n Release kinetics of actives from chewing gums into saliva monitored by direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Jeckelmann, N.; and Haefliger, O. P.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(8): 1165–1171. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ReleasePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{jeckelmann_release_2010,\n\ttitle = {Release kinetics of actives from chewing gums into saliva monitored by direct analysis in real time mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4500},\n\tdoi = {10.1002/rcm.4500},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) was used to monitor the release kinetics of a taste-refreshing compound from chewing gums into the saliva of subjects. A new DART-MS sample probe was designed which was about four times more sensitive than the current benchmark probe. This decreased the impact of the dilution of the saliva samples that was required to minimize ion suppression effects and make quantitative analyses without an internal standard possible. The new probe was also about three times more reproducible, which allowed quantitative measurements to be conducted manually without requiring the enhanced precision provided by an automatic sample positioner. The accuracy of analyses performed by DART-MS was verified by comparing the results obtained from saliva samples analyzed both by DART-MS and by a more classical liquid chromatography/mass spectrometry (LC/MS) method. This investigation showed good agreement between the two techniques. DART-MS could then be used to objectively demonstrate the efficiency of a granular carbohydrate-based delivery system to boost for a few minutes the release of a lipophilic flavor raw material with a high octanol/water partition coefficient, cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl) (WS-3), from chewing gum into saliva. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {8},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Jeckelmann, Nicolas and Haefliger, Olivier P.},\n\tyear = {2010},\n\tkeywords = {Applied Biosystems QTrap},\n\tpages = {1165--1171},\n}\n\n\n\n
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\n Direct analysis in real time mass spectrometry (DART-MS) was used to monitor the release kinetics of a taste-refreshing compound from chewing gums into the saliva of subjects. A new DART-MS sample probe was designed which was about four times more sensitive than the current benchmark probe. This decreased the impact of the dilution of the saliva samples that was required to minimize ion suppression effects and make quantitative analyses without an internal standard possible. The new probe was also about three times more reproducible, which allowed quantitative measurements to be conducted manually without requiring the enhanced precision provided by an automatic sample positioner. The accuracy of analyses performed by DART-MS was verified by comparing the results obtained from saliva samples analyzed both by DART-MS and by a more classical liquid chromatography/mass spectrometry (LC/MS) method. This investigation showed good agreement between the two techniques. DART-MS could then be used to objectively demonstrate the efficiency of a granular carbohydrate-based delivery system to boost for a few minutes the release of a lipophilic flavor raw material with a high octanol/water partition coefficient, cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl) (WS-3), from chewing gum into saliva. Copyright © 2010 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Optimization of a direct analysis in real time/time-of-flight mass spectrometry method for rapid serum metabolomic fingerprinting.\n \n \n \n \n\n\n \n Zhou, M.; McDonald, J. F.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(1): 68–75. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhou_optimization_2010,\n\ttitle = {Optimization of a direct analysis in real time/time-of-flight mass spectrometry method for rapid serum metabolomic fingerprinting},\n\tvolume = {21},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://www.springerlink.com/index/10.1016/j.jasms.2009.09.004},\n\tdoi = {10.1016/j.jasms.2009.09.004},\n\tabstract = {Metabolomic fingerprinting of bodily fluids can reveal the underlying causes of metabolic disorders associated with many diseases, and has thus been recognized as a potential tool for disease diagnosis and prognosis following therapy. Here we report a rapid approach in which direct analysis in real time (DART) coupled with time-of-flight (TOF) mass spectrometry (MS) and hybrid quadrupole TOF (Q-TOF) MS is used as a means for metabolomic fingerprinting of human serum. In this approach, serum samples are first treated to precipitate proteins, and the volatility of the remaining metabolites increased by derivatization, followed by DART MS analysis. Maximum DART MS performance was obtained by optimizing instrumental parameters such as ionizing gas temperature and flow rate for the analysis of identical aliquots of a healthy human serum samples. These variables were observed to have a significant effect on the overall mass range of the metabolites detected as well as the signal-to-noise ratios in DART mass spectra. Each DART run requires only 1.2 min, during which more than 1500 different spectral features are observed in a time-dependent fashion. A repeatability of 4.1\\% to 4.5\\% was obtained for the total ion signal using a manual sampling arm. With the appealing features of high-throughput, lack of memory effects, and simplicity, DART MS has shown potential to become an invaluable tool for metabolomic fingerprinting.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Zhou, Manshui and McDonald, John F. and Fernández, Facundo M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {68--75},\n}\n\n\n\n
\n
\n\n\n
\n Metabolomic fingerprinting of bodily fluids can reveal the underlying causes of metabolic disorders associated with many diseases, and has thus been recognized as a potential tool for disease diagnosis and prognosis following therapy. Here we report a rapid approach in which direct analysis in real time (DART) coupled with time-of-flight (TOF) mass spectrometry (MS) and hybrid quadrupole TOF (Q-TOF) MS is used as a means for metabolomic fingerprinting of human serum. In this approach, serum samples are first treated to precipitate proteins, and the volatility of the remaining metabolites increased by derivatization, followed by DART MS analysis. Maximum DART MS performance was obtained by optimizing instrumental parameters such as ionizing gas temperature and flow rate for the analysis of identical aliquots of a healthy human serum samples. These variables were observed to have a significant effect on the overall mass range of the metabolites detected as well as the signal-to-noise ratios in DART mass spectra. Each DART run requires only 1.2 min, during which more than 1500 different spectral features are observed in a time-dependent fashion. A repeatability of 4.1% to 4.5% was obtained for the total ion signal using a manual sampling arm. With the appealing features of high-throughput, lack of memory effects, and simplicity, DART MS has shown potential to become an invaluable tool for metabolomic fingerprinting.\n
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\n \n\n \n \n \n \n \n \n Ricin Activity Assay by Direct Analysis in Real Time Mass Spectrometry Detection of Adenine Release.\n \n \n \n \n\n\n \n Bevilacqua, V. L. H.; Nilles, J. M.; Rice, J. S.; Connell, T. R.; Schenning, A. M.; Reilly, L. M.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 82(3): 798–800. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RicinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{bevilacqua_ricin_2010,\n\ttitle = {Ricin {Activity} {Assay} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} {Detection} of {Adenine} {Release}},\n\tvolume = {82},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac9025972},\n\tdoi = {10.1021/ac9025972},\n\tabstract = {Biotoxin activity assays typically involve multistep sample preparation, multicomponent reactions, multistep analysis, or a combination thereof. We report a single-step, real-time ricin activity assay that requires little or no sample preparation and employs direct analysis in real time mass spectrometry. The release of adenine from the inhomogeneous substrate herring sperm DNA by ricin was determined to be 53 ± 2 pmol adenine per picomole of ricin per hour. This procedure can be readily adapted to any enzyme for which a reactant or product of low molecular weight (up to ∼600) can be identified.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Bevilacqua, Vicky L. H. and Nilles, J. Michael and Rice, Jeffrey S. and Connell, Theresa R. and Schenning, Amanda M. and Reilly, Lisa M. and Durst, H. Dupont},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {798--800},\n}\n\n\n\n
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\n Biotoxin activity assays typically involve multistep sample preparation, multicomponent reactions, multistep analysis, or a combination thereof. We report a single-step, real-time ricin activity assay that requires little or no sample preparation and employs direct analysis in real time mass spectrometry. The release of adenine from the inhomogeneous substrate herring sperm DNA by ricin was determined to be 53 ± 2 pmol adenine per picomole of ricin per hour. This procedure can be readily adapted to any enzyme for which a reactant or product of low molecular weight (up to ∼600) can be identified.\n
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\n \n\n \n \n \n \n \n Identification of Glycyrrhiza species by direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Fukuda, E.; Baba, M.; Iwasaki, N.; Uesawa, Y.; Arifuku, K.; Kamoe, O.; Tsubono, K.; and Okada, Y.\n\n\n \n\n\n\n Natural product communications, 5(11): 1755–1758. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fukuda_identification_2010,\n\ttitle = {Identification of {Glycyrrhiza} species by direct analysis in real time mass spectrometry.},\n\tvolume = {5},\n\tabstract = {DART (Direct Analysis in Real Time)-MS is a novel mass spectrometric ion source, and allows the analysis of most compounds at ambient pressure and ground potential by producing [M+H]+ molecular ion species. Using this method, we examined the compounds characteristic of several kinds of licorices. For the analysis of Glycyrrhiza inflata Batalin, the peak at m/z 339 originates mainly from [M+H]+ of licochalcone A (LA), a species-specific compound. This peak was hardly detected in G. glabra Linné and G. uralensis Fischer. These results indicate that G. inflata can be differentiated from the other two species by detection of LA peaks using DART-MS analysis.},\n\tnumber = {11},\n\tjournal = {Natural product communications},\n\tauthor = {Fukuda, Eriko and Baba, Masaki and Iwasaki, Noriaki and Uesawa, Yoshihiro and Arifuku, Kazunori and Kamoe, Osamu and Tsubono, Koji and Okada, Yoshihito},\n\tyear = {2010},\n\tpages = {1755--1758},\n}\n\n\n\n
\n
\n\n\n
\n DART (Direct Analysis in Real Time)-MS is a novel mass spectrometric ion source, and allows the analysis of most compounds at ambient pressure and ground potential by producing [M+H]+ molecular ion species. Using this method, we examined the compounds characteristic of several kinds of licorices. For the analysis of Glycyrrhiza inflata Batalin, the peak at m/z 339 originates mainly from [M+H]+ of licochalcone A (LA), a species-specific compound. This peak was hardly detected in G. glabra Linné and G. uralensis Fischer. These results indicate that G. inflata can be differentiated from the other two species by detection of LA peaks using DART-MS analysis.\n
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\n \n\n \n \n \n \n \n Capabilities of direct analysis in real time mass spectrometry and gas chromatography-mass spectrometry in the mint oil test.\n \n \n \n\n\n \n Chernetsova, E. S.; Khomyakov, Y. Y.; Goryainov, S. V.; Ovcharov, M. V.; Bochkov, P. O.; Zatonsky, G. V.; Zhokhov, S. S.; and Abramovich, R. A.\n\n\n \n\n\n\n Mendeleev Communications, 20(5): 299–300. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_capabilities_2010,\n\ttitle = {Capabilities of direct analysis in real time mass spectrometry and gas chromatography-mass spectrometry in the mint oil test},\n\tvolume = {20},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry is compared to gas chromatography–mass spectrometry by the example of mint essential oil analysis.},\n\tnumber = {5},\n\tjournal = {Mendeleev Communications},\n\tauthor = {Chernetsova, Elena S. and Khomyakov, Yuri Yu. and Goryainov, Sergey V. and Ovcharov, Maxim V. and Bochkov, Pavel O. and Zatonsky, George V. and Zhokhov, Sergey S. and Abramovich, Rimma A.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {299--300},\n}\n\n\n\n
\n
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\n Direct analysis in real time (DART) mass spectrometry is compared to gas chromatography–mass spectrometry by the example of mint essential oil analysis.\n
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\n \n\n \n \n \n \n \n Recognition of beer brand based on multivariate analysis of volatile fingerprint.\n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1217(25): 4195–4203. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cajka_recognition_2010,\n\ttitle = {Recognition of beer brand based on multivariate analysis of volatile fingerprint},\n\tvolume = {1217},\n\tdoi = {10.1016/j.chroma.2009.12.049},\n\tabstract = {Automated head-space solid-phase microextraction (HS-SPME)-based sampling procedure, coupled to gas chromatography-time-of-flight mass spectrometry (GC-TOFMS), was developed and employed for obtaining of fingerprints (GC profiles) of beer volatiles. In total, 265 speciality beer samples were collected over a 1-year period with the aim to distinguish, based on analytical (profiling) data, (i) the beers labelled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. For the chemometric evaluation of the data, partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) were tested. The best prediction ability was obtained for the model that distinguished a group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided 100\\% correct classification. Slightly worse prediction abilities were achieved for the models "Trappist vs. non-Trappist beers" with the values of 93.9\\% (PLS-DA), 91.9\\% (LDA) and 97.0\\% (ANN-MLP) and "Rochefort 8 vs. the rest" with the values of 87.9\\% (PLS-DA) and 84.8\\% (LDA) and 93.9\\% (ANN-MLP). In addition to chromatographic profiling, also the potential of direct coupling of SPME (extraction/pre-concentration device) with high-resolution TOFMS employing a direct analysis in real time (DART) ion source has been demonstrated as a challenging profiling approach.},\n\tnumber = {25},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Cajka, T. and Riddellova, K. and Tomaniova, M. and Hajslova, J.},\n\tyear = {2010},\n\tkeywords = {DART; AccuTOF},\n\tpages = {4195--4203},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Automated head-space solid-phase microextraction (HS-SPME)-based sampling procedure, coupled to gas chromatography-time-of-flight mass spectrometry (GC-TOFMS), was developed and employed for obtaining of fingerprints (GC profiles) of beer volatiles. In total, 265 speciality beer samples were collected over a 1-year period with the aim to distinguish, based on analytical (profiling) data, (i) the beers labelled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. For the chemometric evaluation of the data, partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) were tested. The best prediction ability was obtained for the model that distinguished a group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided 100% correct classification. Slightly worse prediction abilities were achieved for the models \"Trappist vs. non-Trappist beers\" with the values of 93.9% (PLS-DA), 91.9% (LDA) and 97.0% (ANN-MLP) and \"Rochefort 8 vs. the rest\" with the values of 87.9% (PLS-DA) and 84.8% (LDA) and 93.9% (ANN-MLP). In addition to chromatographic profiling, also the potential of direct coupling of SPME (extraction/pre-concentration device) with high-resolution TOFMS employing a direct analysis in real time (DART) ion source has been demonstrated as a challenging profiling approach.\n
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\n \n\n \n \n \n \n \n \n Analysis of multiple mycotoxins in beer employing (ultra)-high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Zachariasova, M.; Cajka, T.; Godula, M.; Malachova, A.; Veprikova, Z.; and Hajslova, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(22): 3357–3367. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zachariasova_analysis_2010,\n\ttitle = {Analysis of multiple mycotoxins in beer employing (ultra)-high-resolution mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4746},\n\tdoi = {10.1002/rcm.4746},\n\tabstract = {The objective of the presented study was to develop and optimize a simple, high-throughput method for the control of 32 mycotoxins (Fusarium and Alternaria toxins, aflatoxins, ergot alkaloids, ochratoxins, and sterigmatocystin) in beer. Due to the broad range of their physicochemical properties, the sample preparation step was simplified as much as possible to avoid analyte losses. The addition of acetonitrile to beer samples enabled precipitation of abundant matrix components. The clean-up efficiency was controlled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source. For determination of analytes, ultra-high-performance liquid chromatography hyphenated with high-resolution mass spectrometry utilizing an orbitrap (U-HPLC–orbitrapMS) or time-of-flight (TOFMS) technology was used. Because of significantly better detection capabilities of the orbitrap technology, the U-HPLC–orbitrapMS method was chosen as a determinative step and fully validated. To compensate matrix effects, matrix-matched calibration was employed. The lowest calibration levels for most of the target mycotoxins ranged from 1 to 8 µg L−1 beer and the recoveries of analytes were in range from 86 to 124\\%. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {22},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Zachariasova, Milena and Cajka, Tomas and Godula, Michal and Malachova, Alexandra and Veprikova, Zdenka and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Orbitrap},\n\tpages = {3357--3367},\n}\n\n\n\n
\n
\n\n\n
\n The objective of the presented study was to develop and optimize a simple, high-throughput method for the control of 32 mycotoxins (Fusarium and Alternaria toxins, aflatoxins, ergot alkaloids, ochratoxins, and sterigmatocystin) in beer. Due to the broad range of their physicochemical properties, the sample preparation step was simplified as much as possible to avoid analyte losses. The addition of acetonitrile to beer samples enabled precipitation of abundant matrix components. The clean-up efficiency was controlled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source. For determination of analytes, ultra-high-performance liquid chromatography hyphenated with high-resolution mass spectrometry utilizing an orbitrap (U-HPLC–orbitrapMS) or time-of-flight (TOFMS) technology was used. Because of significantly better detection capabilities of the orbitrap technology, the U-HPLC–orbitrapMS method was chosen as a determinative step and fully validated. To compensate matrix effects, matrix-matched calibration was employed. The lowest calibration levels for most of the target mycotoxins ranged from 1 to 8 µg L−1 beer and the recoveries of analytes were in range from 86 to 124%. Copyright © 2010 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Ambient Pressure Desorption Ionization Mass Spectrometry in Support of Preclinical Pharmaceutical Development.\n \n \n \n \n\n\n \n Helmy, R.; Schafer, W.; Buhler, L.; Marcinko, S.; Musselman, B.; Guidry, E.; Jenkins, H.; Fleitz, F.; and Welch, C. J.\n\n\n \n\n\n\n Organic Process Research & Development, 14(2): 386–392. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{helmy_ambient_2010,\n\ttitle = {Ambient {Pressure} {Desorption} {Ionization} {Mass} {Spectrometry} in {Support} of {Preclinical} {Pharmaceutical} {Development}},\n\tvolume = {14},\n\tissn = {1083-6160, 1520-586X},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/op9002938},\n\tdoi = {10.1021/op9002938},\n\tabstract = {The use of ambient pressure desorption ionization mass spectrometry for the rapid analytical support of process and pharmaceutical development is demonstrated. The ability of direct analysis in real time (DART) technology to analyze both active pharmaceutical ingredients (APIs) and intermediates without sample preparation or the development of LC-based separations provided critical experimental results with minimal time required for method development. The utility and versatility of DART is shown for applications such as degradation studies, analysis of high-throughput catalyst screens, preparative-scale chromatography fractions, and impurity determination.},\n\tnumber = {2},\n\turldate = {2012-04-18},\n\tjournal = {Organic Process Research \\& Development},\n\tauthor = {Helmy, Roy and Schafer, Wes and Buhler, Leah and Marcinko, Stephen and Musselman, Brian and Guidry, Erin and Jenkins, Herb and Fleitz, Fred and Welch, Christopher J.},\n\tyear = {2010},\n\tkeywords = {Thermo LTQ},\n\tpages = {386--392},\n}\n\n\n\n
\n
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\n The use of ambient pressure desorption ionization mass spectrometry for the rapid analytical support of process and pharmaceutical development is demonstrated. The ability of direct analysis in real time (DART) technology to analyze both active pharmaceutical ingredients (APIs) and intermediates without sample preparation or the development of LC-based separations provided critical experimental results with minimal time required for method development. The utility and versatility of DART is shown for applications such as degradation studies, analysis of high-throughput catalyst screens, preparative-scale chromatography fractions, and impurity determination.\n
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\n \n\n \n \n \n \n \n Analysis of multiple mycotoxins in cereals under ambient conditions using direct analysis in real time (DART) ionization coupled to high resolution mass spectrometry.\n \n \n \n\n\n \n Vaclavik, L.; Zachariasova, M.; Hrbek, V.; and Hajslova, J.\n\n\n \n\n\n\n Talanta, 82(5): 1950–1957. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_analysis_2010,\n\ttitle = {Analysis of multiple mycotoxins in cereals under ambient conditions using direct analysis in real time ({DART}) ionization coupled to high resolution mass spectrometry},\n\tvolume = {82},\n\tabstract = {Direct analysis in real time (DART) ionization coupled to an (ultra)high resolution mass spectrometer based on orbitrap technology (orbitrapMS) was used for rapid quantitative analysis of multiple mycotoxins isolated from wheat and maize by modified QuEChERS procedure. After initial evaluation of ionization efficiencies for major groups of mycotoxins achievable with DART technology, sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of most intensively ionizing toxins (deoxynivalenol, nivalenol, zearalenon, actyldeoxynivalenol, deepoxy-deoxynivalenol, fusarenon-X, altenuene, alternariol, alternariolmethylether, diacetoxyscirpenol,\nsterigmatocystin). The lowest calibration levels (LCLs) estimated for the respective analytes ranged from 50 to 150 [mu]g kg-1. Quantitative\nanalysis was performed either with the use of matrix-matched standards or by employing commercially available 13C-labeled internal standards\n(available for deoxynivalenol, nivalenol and zearalenon). Good recoveries (100-108\\%) and repeatabilities (RSD 5.4-6.9\\%) were obtained\nat spiking level 500 [mu]g kg-1 with isotope dilution technique. Based on matrix-matched calibration, recoveries and repeatabilities were in\nthe range 84-118\\% and 7.9-12.0\\% (RSD), respectively. The trueness of data obtained for deoxynivalenol and zearalenon in wheat/maize by DART-orbitrapMS was demonstrated by analysis of certified reference materials (CRMs). Good agreement of these results with data generated\nby validated ultra-high pressure liquid chromatography-time-of-flight mass spectrometry method was documented.},\n\tnumber = {5},\n\tjournal = {Talanta},\n\tauthor = {Vaclavik, Lukas and Zachariasova, Milena and Hrbek, Vojtech and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Orbitrap},\n\tpages = {1950--1957},\n}\n\n\n\n
\n
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\n Direct analysis in real time (DART) ionization coupled to an (ultra)high resolution mass spectrometer based on orbitrap technology (orbitrapMS) was used for rapid quantitative analysis of multiple mycotoxins isolated from wheat and maize by modified QuEChERS procedure. After initial evaluation of ionization efficiencies for major groups of mycotoxins achievable with DART technology, sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of most intensively ionizing toxins (deoxynivalenol, nivalenol, zearalenon, actyldeoxynivalenol, deepoxy-deoxynivalenol, fusarenon-X, altenuene, alternariol, alternariolmethylether, diacetoxyscirpenol, sterigmatocystin). The lowest calibration levels (LCLs) estimated for the respective analytes ranged from 50 to 150 [mu]g kg-1. Quantitative analysis was performed either with the use of matrix-matched standards or by employing commercially available 13C-labeled internal standards (available for deoxynivalenol, nivalenol and zearalenon). Good recoveries (100-108%) and repeatabilities (RSD 5.4-6.9%) were obtained at spiking level 500 [mu]g kg-1 with isotope dilution technique. Based on matrix-matched calibration, recoveries and repeatabilities were in the range 84-118% and 7.9-12.0% (RSD), respectively. The trueness of data obtained for deoxynivalenol and zearalenon in wheat/maize by DART-orbitrapMS was demonstrated by analysis of certified reference materials (CRMs). Good agreement of these results with data generated by validated ultra-high pressure liquid chromatography-time-of-flight mass spectrometry method was documented.\n
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\n \n\n \n \n \n \n \n \n Rapid determination of melamine and cyanuric acid in milk powder using direct analysis in real time-time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Vaclavik, L.; Rosmus, J.; Popping, B.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1217(25): 4204–4211. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{vaclavik_rapid_2010,\n\ttitle = {Rapid determination of melamine and cyanuric acid in milk powder using direct analysis in real time-time-of-flight mass spectrometry},\n\tvolume = {1217},\n\turl = {http://dx.doi.org/10.1016/j.chroma.2010.03.014},\n\tabstract = {The use of fast semi-automated method employing direct analysis in real time (DART) ion source coupled to time-of-flight mass spectrometry (TOFMS) for analysis of melamine (MEL) and cyanuric acid (CYA) in milk powder and milk based products has been demonstrated in this study. Simple sample extraction procedure employing methanol–5\\% aqueous formic acid mixture, which enabled disruption of melamine–cyanurate complex, was followed by direct, high-throughput (30 s per run) examination of sample extracts spread on a glass rod by mass spectrometry under ambient conditions, without any prior chromatographic separation. After optimization of instrument parameter settings, limits of detection (LODs) 170 and 450 μg kg−1 were achieved for MEL and CYA, respectively. In the final phase of study, the possibility of minimizing spectral interference, thus improving method performance characteristics through the use of ultrahigh resolving power offered by Orbitrap based mass analyzer is demonstrated.},\n\tnumber = {25},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Vaclavik, Lukas and Rosmus, Jan and Popping, Bert and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Melamine; Cyanuric acid; Milk powder; Direct analysis in real time (DART); Time-of-flight mass spectrometry; AccuTOF; Orbitrap mass spectrometry},\n\tpages = {4204--4211},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n The use of fast semi-automated method employing direct analysis in real time (DART) ion source coupled to time-of-flight mass spectrometry (TOFMS) for analysis of melamine (MEL) and cyanuric acid (CYA) in milk powder and milk based products has been demonstrated in this study. Simple sample extraction procedure employing methanol–5% aqueous formic acid mixture, which enabled disruption of melamine–cyanurate complex, was followed by direct, high-throughput (30 s per run) examination of sample extracts spread on a glass rod by mass spectrometry under ambient conditions, without any prior chromatographic separation. After optimization of instrument parameter settings, limits of detection (LODs) 170 and 450 μg kg−1 were achieved for MEL and CYA, respectively. In the final phase of study, the possibility of minimizing spectral interference, thus improving method performance characteristics through the use of ultrahigh resolving power offered by Orbitrap based mass analyzer is demonstrated.\n
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\n \n\n \n \n \n \n \n Profiling of Piper betle Linn. cultivars by direct analysis in real time mass spectrometric technique.\n \n \n \n\n\n \n Bajpai, V.; Sharma, D.; Kumar, B.; and Madhusudanan, K. P.\n\n\n \n\n\n\n Biomedical Chromatography, 24(12): 1283–1286. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{bajpai_profiling_2010,\n\ttitle = {Profiling of {Piper} betle {Linn}. cultivars by direct analysis in real time mass spectrometric technique},\n\tvolume = {24},\n\tdoi = {10.1002/bmc.1437},\n\tabstract = {Piper betle Linn. is a traditional plant associated with the Asian and southeast Asian cultures. Its use is also recorded in folk medicines in these regions. Several of its medicinal properties have recently been proven. Phytochemical analysis showed the presence of mainly terpenes and phenols in betel leaves. These constituents vary in the different cultivars of Piper betle. In this paper we have attempted to profile eight locally available betel cultivars using the recently developed mass spectral ionization technique of direct analysis in real time (DART). Principal component analysis has also been employed to analyze the DART MS data of these betel cultivars. The results show that the cultivars of Piper betle could be differentiated using DART MS data.},\n\tnumber = {12},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Bajpai, Vikas and Sharma, Deepty and Kumar, Brijesh and Madhusudanan, K. P.},\n\tyear = {2010},\n\tkeywords = {DARTMS; Piper betle L; cultivars; profiling; PCA; AccuTOF},\n\tpages = {1283--1286},\n}\n\n\n\n
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\n Piper betle Linn. is a traditional plant associated with the Asian and southeast Asian cultures. Its use is also recorded in folk medicines in these regions. Several of its medicinal properties have recently been proven. Phytochemical analysis showed the presence of mainly terpenes and phenols in betel leaves. These constituents vary in the different cultivars of Piper betle. In this paper we have attempted to profile eight locally available betel cultivars using the recently developed mass spectral ionization technique of direct analysis in real time (DART). Principal component analysis has also been employed to analyze the DART MS data of these betel cultivars. The results show that the cultivars of Piper betle could be differentiated using DART MS data.\n
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\n \n\n \n \n \n \n \n Applications of Direct Analysis in Real Time Mass Spectrometry (DART-MS) in Allium Chemistry. (Z)-Butanethial S-Oxide and 1-Butenyl Thiosulfinates and Their S-(E)-1-Butenylcysteine S-Oxide Precursor from Allium siculum.\n \n \n \n\n\n \n Kubec, R.; Cody, R.; Dane, A.; Musah, R.; Schraml, J.; Vattekkatte, A.; and Block, E.\n\n\n \n\n\n\n Journal of Agricultural and Food Chemistry, 58(2): 1121–1128. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kubec_applications_2010,\n\ttitle = {Applications of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) in {Allium} {Chemistry}. ({Z})-{Butanethial} {S}-{Oxide} and 1-{Butenyl} {Thiosulfinates} and {Their} {S}-({E})-1-{Butenylcysteine} {S}-{Oxide} {Precursor} from {Allium} siculum},\n\tvolume = {58},\n\tissn = {0021-8561},\n\tdoi = {10.1021/jf903733e},\n\tabstract = {Lachrymatory (Z)-butanethial S-oxide along with several 1-butenyl thiosulfinates was detected by DART mass spectrometry upon cutting Allium siculum, a popular ornamental Allium species used in some cultures as a spice. (Z)-Butanethial S-oxide isolated from the plant was shown to be identical to a synthetic sample. Its likely precursor, (RS,RC,E)-S-(1-butenyl)cysteine S-oxide (homoisoalliin), was isolated from homogenates of A. siculum, and a closely related species Allium tripedale, and fully characterized. Through use of LC-MS, a series of related γ-glutamyl derivatives were tentatively identified in A. siculum and A. tripedale homogenates, including γ-glutamyl-(E)-S-(1-butenyl)cysteine and its S-oxide, γ-glutamyl-S-butylcysteine and its S-oxide, and γ-glutamyl-S-methylcysteine and its S-oxide. Because compounds containing the 1-butenyl group have not been previously identified in genus Allium species, this work extends the range of known Allium sulfur compounds. The general applicability of DART mass spectrometry in identifying naturally occurring, thermally fragile thial S-oxides and thiosulfinates is illustrated with onion, Allium cepa, as well as a plant from a different genus, Petiveria alliacea.},\n\tnumber = {2},\n\tjournal = {Journal of Agricultural and Food Chemistry},\n\tauthor = {Kubec, R. and Cody, R.B. and Dane, A.J. and Musah, R.A. and Schraml, J. and Vattekkatte, A. and Block, E.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1121--1128},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Lachrymatory (Z)-butanethial S-oxide along with several 1-butenyl thiosulfinates was detected by DART mass spectrometry upon cutting Allium siculum, a popular ornamental Allium species used in some cultures as a spice. (Z)-Butanethial S-oxide isolated from the plant was shown to be identical to a synthetic sample. Its likely precursor, (RS,RC,E)-S-(1-butenyl)cysteine S-oxide (homoisoalliin), was isolated from homogenates of A. siculum, and a closely related species Allium tripedale, and fully characterized. Through use of LC-MS, a series of related γ-glutamyl derivatives were tentatively identified in A. siculum and A. tripedale homogenates, including γ-glutamyl-(E)-S-(1-butenyl)cysteine and its S-oxide, γ-glutamyl-S-butylcysteine and its S-oxide, and γ-glutamyl-S-methylcysteine and its S-oxide. Because compounds containing the 1-butenyl group have not been previously identified in genus Allium species, this work extends the range of known Allium sulfur compounds. The general applicability of DART mass spectrometry in identifying naturally occurring, thermally fragile thial S-oxides and thiosulfinates is illustrated with onion, Allium cepa, as well as a plant from a different genus, Petiveria alliacea.\n
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\n \n\n \n \n \n \n \n \n Identification of marker compounds in herbal drugs on TLC with DART-MS.\n \n \n \n \n\n\n \n Kim, H. J.; Jee, E. H.; Ahn, K. S.; Choi, H. S.; and Jang, Y. P.\n\n\n \n\n\n\n Archives of Pharmacal Research, 33(9): 1355–1359. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kim_identification_2010,\n\ttitle = {Identification of marker compounds in herbal drugs on {TLC} with {DART}-{MS}},\n\tvolume = {33},\n\tissn = {0253-6269, 1976-3786},\n\turl = {http://www.springerlink.com/index/10.1007/s12272-010-0909-7},\n\tdoi = {10.1007/s12272-010-0909-7},\n\tabstract = {This study was conducted to provide a more versatile and specific information on Thin Layer Chromatographic (TLC) analysis of medicinal plants. TLC plates developed with the extract of herbal medicines were analyzed with direct analysis in real time (DART) ion source. Three well known herbal drugs were extracted and developed on a silica-coated TLC plate with the conditions pre-established in Korean Pharmacopoeia IX. The developed plate was placed between the DART ion source and TOF-MS analyzer to get real time mass spectra from the bands on the TLC plate directly. The marker coumarin compounds, decursin and decursinol were successfully identified from the TLC plate developed with Angelicae gigantis radix, along with alkaloid compounds of rutaecarpine and evodiamine from Evodiae fructus, and lignan molecules of gomisin A, N, and schisandrin from Schisandrae fructus. This hyphenation system of TLC and DART-MS could provide unique and specific information on the major constituents of crude plant drug on TLC through uncovering high resolution mass number of each band on the TLC plate directly in real time.},\n\tnumber = {9},\n\turldate = {2012-04-18},\n\tjournal = {Archives of Pharmacal Research},\n\tauthor = {Kim, Hye Jin and Jee, Eun Hye and Ahn, Kwang Sung and Choi, Hyo Sook and Jang, Young Pyo},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1355--1359},\n}\n\n\n\n
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\n\n\n
\n This study was conducted to provide a more versatile and specific information on Thin Layer Chromatographic (TLC) analysis of medicinal plants. TLC plates developed with the extract of herbal medicines were analyzed with direct analysis in real time (DART) ion source. Three well known herbal drugs were extracted and developed on a silica-coated TLC plate with the conditions pre-established in Korean Pharmacopoeia IX. The developed plate was placed between the DART ion source and TOF-MS analyzer to get real time mass spectra from the bands on the TLC plate directly. The marker coumarin compounds, decursin and decursinol were successfully identified from the TLC plate developed with Angelicae gigantis radix, along with alkaloid compounds of rutaecarpine and evodiamine from Evodiae fructus, and lignan molecules of gomisin A, N, and schisandrin from Schisandrae fructus. This hyphenation system of TLC and DART-MS could provide unique and specific information on the major constituents of crude plant drug on TLC through uncovering high resolution mass number of each band on the TLC plate directly in real time.\n
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\n \n\n \n \n \n \n \n \n Rapid Mass Spectrometric Metabolic Profiling of Blood Sera Detects Ovarian Cancer with High Accuracy.\n \n \n \n \n\n\n \n Zhou, M.; Guan, W.; Walker, L. D.; Mezencev, R.; Benigno, B. B.; Gray, A.; Fernandez, F. M.; and McDonald, J. F.\n\n\n \n\n\n\n Cancer Epidemiology, Biomarkers & Prevention. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{zhou_rapid_2010,\n\ttitle = {Rapid {Mass} {Spectrometric} {Metabolic} {Profiling} of {Blood} {Sera} {Detects} {Ovarian} {Cancer} with {High} {Accuracy}},\n\turl = {http://cebp.aacrjournals.org/content/early/2010/08/05/1055-9965.EPI-10-0126.abstract},\n\tdoi = {10.1158/1055-9965.EPI-10-0126},\n\tabstract = {Background: Ovarian cancer diagnosis is problematic because the disease is typically asymptomatic, especially at the early stages of progression and/or recurrence. We report here the integration of a new mass spectrometric technology with a novel support vector machine computational method for use in cancer diagnostics, and describe the application of the method to ovarian cancer.\n\nMethods: We coupled a high-throughput ambient ionization technique for mass spectrometry (direct analysis in real-time mass spectrometry) to profile relative metabolite levels in sera from 44 women diagnosed with serous papillary ovarian cancer (stages I-IV) and 50 healthy women or women with benign conditions. The profiles were input to a customized functional support vector machine–based machine-learning algorithm for diagnostic classification. Performance was evaluated through a 64-30 split validation test and with a stringent series of leave-one-out cross-validations.\n\nResults: The assay distinguished between the cancer and control groups with an unprecedented 99\\% to 100\\% accuracy (100\\% sensitivity and 100\\% specificity by the 64-30 split validation test; 100\\% sensitivity and 98\\% specificity by leave-one-out cross-validations).\n\nConclusion: The method has significant clinical potential as a cancer diagnostic tool. Because of the extremely low prevalence of ovarian cancer in the general population (∼0.04\\%), extensive prospective testing will be required to evaluate the test's potential utility in general screening applications. However, more immediate applications might be as a diagnostic tool in higher-risk groups or to monitor cancer recurrence after therapeutic treatment.\n\nImpact: The ability to accurately and inexpensively diagnose ovarian cancer will have a significant positive effect on ovarian cancer treatment and outcome.},\n\tjournal = {Cancer Epidemiology, Biomarkers \\& Prevention},\n\tauthor = {Zhou, M. and Guan, W. and Walker, L. D. and Mezencev, R. and Benigno, B. B. and Gray, A. and Fernandez, F. M. and McDonald, J. F.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
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\n Background: Ovarian cancer diagnosis is problematic because the disease is typically asymptomatic, especially at the early stages of progression and/or recurrence. We report here the integration of a new mass spectrometric technology with a novel support vector machine computational method for use in cancer diagnostics, and describe the application of the method to ovarian cancer. Methods: We coupled a high-throughput ambient ionization technique for mass spectrometry (direct analysis in real-time mass spectrometry) to profile relative metabolite levels in sera from 44 women diagnosed with serous papillary ovarian cancer (stages I-IV) and 50 healthy women or women with benign conditions. The profiles were input to a customized functional support vector machine–based machine-learning algorithm for diagnostic classification. Performance was evaluated through a 64-30 split validation test and with a stringent series of leave-one-out cross-validations. Results: The assay distinguished between the cancer and control groups with an unprecedented 99% to 100% accuracy (100% sensitivity and 100% specificity by the 64-30 split validation test; 100% sensitivity and 98% specificity by leave-one-out cross-validations). Conclusion: The method has significant clinical potential as a cancer diagnostic tool. Because of the extremely low prevalence of ovarian cancer in the general population (∼0.04%), extensive prospective testing will be required to evaluate the test's potential utility in general screening applications. However, more immediate applications might be as a diagnostic tool in higher-risk groups or to monitor cancer recurrence after therapeutic treatment. Impact: The ability to accurately and inexpensively diagnose ovarian cancer will have a significant positive effect on ovarian cancer treatment and outcome.\n
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\n \n\n \n \n \n \n \n Thermal separation to facilitate Direct Analysis in Real Time (DART) of mixtures.\n \n \n \n\n\n \n Nilles, J.; Connell, T.; and Durst, H.\n\n\n \n\n\n\n Analyst, 135(5): 883–886. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{nilles_thermal_2010,\n\ttitle = {Thermal separation to facilitate {Direct} {Analysis} in {Real} {Time} ({DART}) of mixtures},\n\tvolume = {135},\n\tdoi = {10.1039/c0an00036a},\n\tabstract = {We explore a thermal separation technique for use with Direct Analysis in Real Time (DART). By applying gas temperature ramping, we are able to disburse a mixture of compounds in time. The three components were selected to create a challenging mixture that would not likely be discerned solely using exact mass capabilities. While the thermal separation technique is of low resolution, it preserves the inherent rapid, non-contact, ambient characteristics of the ion source.},\n\tnumber = {5},\n\tjournal = {Analyst},\n\tauthor = {Nilles, J.M. and Connell, T.R. and Durst, H.D.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {883--886},\n}\n\n\n\n
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\n We explore a thermal separation technique for use with Direct Analysis in Real Time (DART). By applying gas temperature ramping, we are able to disburse a mixture of compounds in time. The three components were selected to create a challenging mixture that would not likely be discerned solely using exact mass capabilities. While the thermal separation technique is of low resolution, it preserves the inherent rapid, non-contact, ambient characteristics of the ion source.\n
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\n \n\n \n \n \n \n \n Comparison of the Internal Energy Deposition of Direct Analysis in Real Time and Electrospray Ionization Time-of-Flight Mass Spectrometry.\n \n \n \n\n\n \n Harris, G. A.; Hostetler, D. M.; Hampton, C.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(5): 855–863. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{harris_comparison_2010,\n\ttitle = {Comparison of the {Internal} {Energy} {Deposition} of {Direct} {Analysis} in {Real} {Time} and {Electrospray} {Ionization} {Time}-of-{Flight} {Mass} {Spectrometry}},\n\tvolume = {21},\n\tdoi = {10.1016/j.jasms.2010.01.019},\n\tabstract = {The internal energy (Eint) distributions of a series of p-substituted benzylpyridinium ions generated by both direct analysis in real time (DART) and electrospray ionization (ESI) were compared using the “survival yield” method. DART mean Eint values at gas flow rates of 2, 4, and 6 L min−1, and at set temperatures of 175, 250, and 325 °C were in the 1.92–2.21 eV range. ESI mean Eint  at identical temperatures in aqueous and 50\\% methanol solutions ranged between 1.71 and 1.96 eV, and 1.53 and 1.63 eV, respectively. Although the results indicated that ESI is a “softer” ionization technique than DART, there was overlap between the two techniques for the particular time-of-flight mass spectrometer used. As a whole, there was an increase in Eint with increasing reactive and drying gas temperatures for DART and ESI, respectively, indicating thermal ion activation. Three dimensional computational fluid dynamic simulations in combination with direct temperature measurements within the DART ionization region revealed complex inversely coupled fluid-thermal phenomena affecting ion Eint values during atmospheric transport. Primarily, that DART gas temperature in the ionization region was appreciably less than the set gas temperature of DART due to the set gas flow rates. There was no evidence of Eint deposition pathways from metastable-stimulated desorption, but fragmentation induced by high-energy helium metastables was observed at the highest gas flow rates and temperatures.},\n\tnumber = {5},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Harris, G. A. and Hostetler, D. M. and Hampton, C.Y. and Fernández, F. M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {855--863},\n}\n\n\n\n
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\n The internal energy (Eint) distributions of a series of p-substituted benzylpyridinium ions generated by both direct analysis in real time (DART) and electrospray ionization (ESI) were compared using the “survival yield” method. DART mean Eint values at gas flow rates of 2, 4, and 6 L min−1, and at set temperatures of 175, 250, and 325 °C were in the 1.92–2.21 eV range. ESI mean Eint at identical temperatures in aqueous and 50% methanol solutions ranged between 1.71 and 1.96 eV, and 1.53 and 1.63 eV, respectively. Although the results indicated that ESI is a “softer” ionization technique than DART, there was overlap between the two techniques for the particular time-of-flight mass spectrometer used. As a whole, there was an increase in Eint with increasing reactive and drying gas temperatures for DART and ESI, respectively, indicating thermal ion activation. Three dimensional computational fluid dynamic simulations in combination with direct temperature measurements within the DART ionization region revealed complex inversely coupled fluid-thermal phenomena affecting ion Eint values during atmospheric transport. Primarily, that DART gas temperature in the ionization region was appreciably less than the set gas temperature of DART due to the set gas flow rates. There was no evidence of Eint deposition pathways from metastable-stimulated desorption, but fragmentation induced by high-energy helium metastables was observed at the highest gas flow rates and temperatures.\n
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\n \n\n \n \n \n \n \n \n Small Molecule Ambient Mass Spectrometry Imaging by Infrared Laser Ablation Metastable-Induced Chemical Ionization.\n \n \n \n \n\n\n \n Galhena, A. S.; Harris, G. A.; Nyadong, L.; Murray, K. K.; and Fernández, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 82(6): 2178–2181. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"SmallPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{galhena_small_2010,\n\ttitle = {Small {Molecule} {Ambient} {Mass} {Spectrometry} {Imaging} by {Infrared} {Laser} {Ablation} {Metastable}-{Induced} {Chemical} {Ionization}},\n\tvolume = {82},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac902905v},\n\tdoi = {10.1021/ac902905v},\n\tabstract = {Presented here is a novel ambient ion source termed infrared laser ablation metastable-induced chemical ionization (IR-LAMICI). IR-LAMICI integrates IR laser ablation and direct analysis in real time (DART)-type metastable-induced chemical ionization for open air mass spectrometry (MS) ionization. The ion generation in the IR-LAMICI source is a two step process. First, IR laser pulses impinge the sample surface ablating surface material. Second, a portion of ablated material reacts with the metastable reactive plume facilitating gas-phase chemical ionization of analyte molecules generating protonated or deprotonated species in positive and negative ion modes, respectively. The successful coupling of IR-laser ablation with metastable-induced chemical ionization resulted in an ambient plasma-based spatially resolved small molecule imaging platform for mass spectrometry (MS). The analytical capabilities of IR-LAMICI are explored by imaging pharmaceutical tablets, screening counterfeit drugs, and probing algal tissue surfaces for natural products. The resolution of a chemical image is determined by the crater size produced with each laser pulse but not by the size of the metastable gas jet. The detection limits for an active pharmaceutical ingredient (acetaminophen) using the IR-LAMICI source is calculated to be low picograms. Furthermore, three-dimensional computational fluid dynamic simulations showed improvements in the IR-LAMICI ion source are possible.},\n\tnumber = {6},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Galhena, Asiri S. and Harris, Glenn A. and Nyadong, Leonard and Murray, Kermit K. and Fernández, Facundo M.},\n\tyear = {2010},\n\tkeywords = {Thermo Ion Trap},\n\tpages = {2178--2181},\n}\n\n\n\n
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\n Presented here is a novel ambient ion source termed infrared laser ablation metastable-induced chemical ionization (IR-LAMICI). IR-LAMICI integrates IR laser ablation and direct analysis in real time (DART)-type metastable-induced chemical ionization for open air mass spectrometry (MS) ionization. The ion generation in the IR-LAMICI source is a two step process. First, IR laser pulses impinge the sample surface ablating surface material. Second, a portion of ablated material reacts with the metastable reactive plume facilitating gas-phase chemical ionization of analyte molecules generating protonated or deprotonated species in positive and negative ion modes, respectively. The successful coupling of IR-laser ablation with metastable-induced chemical ionization resulted in an ambient plasma-based spatially resolved small molecule imaging platform for mass spectrometry (MS). The analytical capabilities of IR-LAMICI are explored by imaging pharmaceutical tablets, screening counterfeit drugs, and probing algal tissue surfaces for natural products. The resolution of a chemical image is determined by the crater size produced with each laser pulse but not by the size of the metastable gas jet. The detection limits for an active pharmaceutical ingredient (acetaminophen) using the IR-LAMICI source is calculated to be low picograms. Furthermore, three-dimensional computational fluid dynamic simulations showed improvements in the IR-LAMICI ion source are possible.\n
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\n \n\n \n \n \n \n \n Routine analysis and characterization of highly insoluble polycyclic aromatic compounds by direct analysis in real time mass spectrometry (DART).\n \n \n \n\n\n \n Domin, M.; Steinberg, B.; Quimby, J.; Smith, N.; Greene, A.; and Scott, L.\n\n\n \n\n\n\n Analyst, 135(4): 700–704. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{domin_routine_2010,\n\ttitle = {Routine analysis and characterization of highly insoluble polycyclic aromatic compounds by direct analysis in real time mass spectrometry ({DART})},\n\tvolume = {135},\n\tdoi = {10.1039/b923300h},\n\tabstract = {Direct Analysis in Real Time (DART), is used for the first time for the routine rapid analysis of highly insoluble polycyclic aromatic compounds. Direct analysis of such compounds as solid samples under solvent-free conditions shows that DART is a powerful analytical platform capable of providing high-throughput analysis for these complex samples, requiring no special sample pre-treatment or instrument setup.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Domin, M.A. and Steinberg, B.D. and Quimby, J.M. and Smith, N.J. and Greene, A.K. and Scott, L.T.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {700--704},\n}\n\n\n\n
\n
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\n Direct Analysis in Real Time (DART), is used for the first time for the routine rapid analysis of highly insoluble polycyclic aromatic compounds. Direct analysis of such compounds as solid samples under solvent-free conditions shows that DART is a powerful analytical platform capable of providing high-throughput analysis for these complex samples, requiring no special sample pre-treatment or instrument setup.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART) Mass Spectrometry of Nucleotides and Nucleosides: Elucidation of a Novel Fragment [C5H5O]+ and Its In-Source Adducts.\n \n \n \n\n\n \n Curtis, M. E.; Minier, M. A.; Chitranshi, P.; Sparkman, O. D.; Jones, P. R.; and Xue, L.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(8): 1371–1381. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{curtis_direct_2010,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry} of {Nucleotides} and {Nucleosides}: {Elucidation} of a {Novel} {Fragment} [{C5H5O}]+ and {Its} {In}-{Source} {Adducts}},\n\tvolume = {21},\n\tdoi = {10.1016/j.jasms.2010.03.046},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry is a recently developed innovative technology, which has shown broad applications for fast and convenient analysis of complex samples. Due to the ease of sample preparation, we have recently initiated an investigation of the feasibility of detecting nucleotides and nucleosides using the DART-AccuTOF instrument, which we will refer to as the DART mass spectrometer. Our experimental results reveal that the ions representing the intact molecules of nucleotides are not detectable in either positive-ion or negative-ion mode. Instead, all four natural nucleotides fragment in the DART ion source, and a common fragment ion, [C5H5O]+ (1), is observed, which is probably formed via multiple- elimination reactions. Interestingly, 1  can form adducts with nucleobases in different molar ratios in the DART ion source. In contrast to nucleotides, the ions representing the intact molecules of nucleosides are detected in both positive-ion and negative-ion mode using DART mass spectrometry. Surprisingly, the fragmentation pattern of nucleosides is different from that of nucleotides in the DART ion source. In the cases of nucleosides (under positive-ion conditions), the production of 1 is not observed, indicating that the phosphate group plays an important role for the multiple eliminations observed in the spectra of nucleotides. The in-source reactions described in the present work show the complexity of the conditions in the DART ion source, and we hope that our results illustrate a better understanding about DART mass spectrometry.},\n\tnumber = {8},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Curtis, M. E. and Minier, M. A. and Chitranshi, P. and Sparkman, O. D. and Jones, P. R. and Xue, L.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1371--1381},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) mass spectrometry is a recently developed innovative technology, which has shown broad applications for fast and convenient analysis of complex samples. Due to the ease of sample preparation, we have recently initiated an investigation of the feasibility of detecting nucleotides and nucleosides using the DART-AccuTOF instrument, which we will refer to as the DART mass spectrometer. Our experimental results reveal that the ions representing the intact molecules of nucleotides are not detectable in either positive-ion or negative-ion mode. Instead, all four natural nucleotides fragment in the DART ion source, and a common fragment ion, [C5H5O]+ (1), is observed, which is probably formed via multiple- elimination reactions. Interestingly, 1 can form adducts with nucleobases in different molar ratios in the DART ion source. In contrast to nucleotides, the ions representing the intact molecules of nucleosides are detected in both positive-ion and negative-ion mode using DART mass spectrometry. Surprisingly, the fragmentation pattern of nucleosides is different from that of nucleotides in the DART ion source. In the cases of nucleosides (under positive-ion conditions), the production of 1 is not observed, indicating that the phosphate group plays an important role for the multiple eliminations observed in the spectra of nucleotides. The in-source reactions described in the present work show the complexity of the conditions in the DART ion source, and we hope that our results illustrate a better understanding about DART mass spectrometry.\n
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\n \n\n \n \n \n \n \n Selective ionization of melamine in powdered milk by using argon direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Dane, A. J.; and Cody, R. B.\n\n\n \n\n\n\n Analyst, 135(4): 696–699. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{dane_selective_2010,\n\ttitle = {Selective ionization of melamine in powdered milk by using argon direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {135},\n\tdoi = {10.1039/B923561B},\n\tabstract = {5-Hydroxymethylfurfural (5-HMF) is a compound with the elemental composition C6H6O3 that is present in powdered milk. Protonated 5-HMF (calculated m/z 127.0395) has the same nominal m/z as protonated melamine (calculated m/z 127.0732) and can interfere with direct analysis of melamine in powdered milk. Tandem mass spectrometry and high-resolution mass spectrometry have been previously used to distinguish melamine from 5-HMF. An alternative approach is presented here that uses the direct analysis in real time (DART) ion source operated with argon gas in combination with acetylacetone and pyridine reagent gases to selectively ionize melamine and eliminate the interference from 5-HMF. High-resolution/accurate mass data were used to verify the elimination of the 5-HMF interference and confirm the melamine elemental composition. With further refinement, this technique could lead to a rapid analysis method for screening large numbers of samples.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Dane, A. John and Cody, R. B.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {696--699},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n 5-Hydroxymethylfurfural (5-HMF) is a compound with the elemental composition C6H6O3 that is present in powdered milk. Protonated 5-HMF (calculated m/z 127.0395) has the same nominal m/z as protonated melamine (calculated m/z 127.0732) and can interfere with direct analysis of melamine in powdered milk. Tandem mass spectrometry and high-resolution mass spectrometry have been previously used to distinguish melamine from 5-HMF. An alternative approach is presented here that uses the direct analysis in real time (DART) ion source operated with argon gas in combination with acetylacetone and pyridine reagent gases to selectively ionize melamine and eliminate the interference from 5-HMF. High-resolution/accurate mass data were used to verify the elimination of the 5-HMF interference and confirm the melamine elemental composition. With further refinement, this technique could lead to a rapid analysis method for screening large numbers of samples.\n
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\n \n\n \n \n \n \n \n An ultra superfast identification of low-molecular components of pharmaceuticals by DART mass spectrometry.\n \n \n \n\n\n \n Chernetsova, E.; Bochkov, P.; Ovcharov, M.; Zatonskii, G.; and Abramovich, R.\n\n\n \n\n\n\n Journal of Analytical Chemistry, 65(14): 1537–1539. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_ultra_2010,\n\ttitle = {An ultra superfast identification of low-molecular components of pharmaceuticals by {DART} mass spectrometry},\n\tvolume = {65},\n\tnumber = {14},\n\tjournal = {Journal of Analytical Chemistry},\n\tauthor = {Chernetsova, E.S. and Bochkov, P.O. and Ovcharov, M.V. and Zatonskii, G.V. and Abramovich, R.A.},\n\tyear = {2010},\n\tkeywords = {DART; AccuTOF},\n\tpages = {1537--1539},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Applications of Direct Analysis in Real Time Mass Spectrometry (DART-MS) in Allium Chemistry. 2-Propenesulfenic and 2-Propenesulfinic Acids, Diallyl Trisulfane S-Oxide, and Other Reactive Sulfur Compounds from Crushed Garlic and Other Alliums.\n \n \n \n\n\n \n Block, E.; Dane, A.; Thomas, S.; and Cody, R.\n\n\n \n\n\n\n Journal of Agricultural and Food Chemistry, 58(8): 4617–4625. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{block_applications_2010,\n\ttitle = {Applications of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) in {Allium} {Chemistry}. 2-{Propenesulfenic} and 2-{Propenesulfinic} {Acids}, {Diallyl} {Trisulfane} {S}-{Oxide}, and {Other} {Reactive} {Sulfur} {Compounds} from {Crushed} {Garlic} and {Other} {Alliums}},\n\tvolume = {58},\n\tdoi = {10.1021/jf1000106},\n\tabstract = {Through the use of direct analysis in real time mass spectrometry (DART-MS), 2-propenesulfenic acid, an intermediate long postulated as being formed when garlic (Allium sativum) is crushed, has been detected for the first time and determined by mass spectrometric methods to have a half-life of {\\textless}1 s at room temperature. Two other key intermediates, 2-propenesulfinic acid and diallyl trisulfane S-oxide, have also been detected for the first time in volatiles from crushed garlic, along with allicin and related thiosulfinates, allyl alcohol, sulfur dioxide, propene, and pyruvate as coproducts. A commercial dietary supplement containing garlic powder, which was sampled after crushing, was found to contain alliin, methiin, and S-allylcysteine and produced allicin upon addition of water. DART-MS detection of 1-butenesulfenic acid from the ornamental A. siculum is also reported. (Z)-Propanethial S-oxide (onion lachrymatory factor), absent in garlic, is found to be formed from crushed elephant garlic (Allium ampeloprasum), consistent with the classification of this plant as a closer relative of leek than of garlic. Mixtures of thiosulfinates, lachrymatory thial S-oxides, and related compounds are directly observed from crushed leek (Allium porrum) and Chinese chive (Allium tuberosum). Disulfanes and polysulfanes are detected only when the Allium samples are heated, consistent with earlier conclusions that these are not primary products from cut or crushed alliums.},\n\tnumber = {8},\n\tjournal = {Journal of Agricultural and Food Chemistry},\n\tauthor = {Block, E. and Dane, A.J. and Thomas, S. and Cody, R.B.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {4617--4625},\n}\n\n\n\n
\n
\n\n\n
\n Through the use of direct analysis in real time mass spectrometry (DART-MS), 2-propenesulfenic acid, an intermediate long postulated as being formed when garlic (Allium sativum) is crushed, has been detected for the first time and determined by mass spectrometric methods to have a half-life of \\textless1 s at room temperature. Two other key intermediates, 2-propenesulfinic acid and diallyl trisulfane S-oxide, have also been detected for the first time in volatiles from crushed garlic, along with allicin and related thiosulfinates, allyl alcohol, sulfur dioxide, propene, and pyruvate as coproducts. A commercial dietary supplement containing garlic powder, which was sampled after crushing, was found to contain alliin, methiin, and S-allylcysteine and produced allicin upon addition of water. DART-MS detection of 1-butenesulfenic acid from the ornamental A. siculum is also reported. (Z)-Propanethial S-oxide (onion lachrymatory factor), absent in garlic, is found to be formed from crushed elephant garlic (Allium ampeloprasum), consistent with the classification of this plant as a closer relative of leek than of garlic. Mixtures of thiosulfinates, lachrymatory thial S-oxides, and related compounds are directly observed from crushed leek (Allium porrum) and Chinese chive (Allium tuberosum). Disulfanes and polysulfanes are detected only when the Allium samples are heated, consistent with earlier conclusions that these are not primary products from cut or crushed alliums.\n
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\n \n\n \n \n \n \n \n Investigations on the Coupling of High-Performance Liquid Chromatography to Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Eberherr, W.; Buchberger, W.; Hertsens, R.; and Klampfl, C.\n\n\n \n\n\n\n Analytical Chemistry, 82(13): 5792–5796. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{eberherr_investigations_2010,\n\ttitle = {Investigations on the {Coupling} of {High}-{Performance} {Liquid} {Chromatography} to {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {82},\n\tdoi = {10.1021/ac1008496},\n\tabstract = {A novel hyphenated technique namely the combination of HPLC with direct analysis in real time (DART) mass spectrometry (MS) is presented. The coupling of HPLC to DART-MS was achieved by a simple interface design with a capillary end piece transferring the HPLC effluent to the ionization region of the DART. Flow rates (0.3−1.6 mL min−1) and inner diameters of the capillary (50−150 μm) were harmonized to provide a stable liquid jet. Ionization-related parameters optimized included positioning of the capillary end piece with respect to He outlet of the ionization source and the MS inlet, He heater temperature and He flow rate. Among DART-MS voltages, the grid electrode voltage proved to have the most pronounced effect on signal intensities. A major benefit of this setup is the possibility to employ (commonly not MS-compatible) HPLC eluents such as phosphate buffers up to a phosphate concentration of 120 mM even at typical HPLC flow rates such as 1 mL min−1  and above without negative side effects like contamination of the ion source or ion suppression. Experiments evaluating the correlation of signal intensity to mass-flow and concentration revealed that DART-MS can be seen as a mass flow sensitive detector. The usability of this hyphenated technique has been tested on the example of four parabenes (measured in the negative ion mode) as well as a set of pyrazine derivatives (measured in the positive ion mode). For the parabenes limits of detection (LOD) in the range of 20−55 μg L−1 and linear ranges from at least 200−10000 μg L−1 with correlation coefficients better than 0.997 were obtained.},\n\tnumber = {13},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Eberherr, W. and Buchberger, W. and Hertsens, R. and Klampfl, C.W.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {5792--5796},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n A novel hyphenated technique namely the combination of HPLC with direct analysis in real time (DART) mass spectrometry (MS) is presented. The coupling of HPLC to DART-MS was achieved by a simple interface design with a capillary end piece transferring the HPLC effluent to the ionization region of the DART. Flow rates (0.3−1.6 mL min−1) and inner diameters of the capillary (50−150 μm) were harmonized to provide a stable liquid jet. Ionization-related parameters optimized included positioning of the capillary end piece with respect to He outlet of the ionization source and the MS inlet, He heater temperature and He flow rate. Among DART-MS voltages, the grid electrode voltage proved to have the most pronounced effect on signal intensities. A major benefit of this setup is the possibility to employ (commonly not MS-compatible) HPLC eluents such as phosphate buffers up to a phosphate concentration of 120 mM even at typical HPLC flow rates such as 1 mL min−1 and above without negative side effects like contamination of the ion source or ion suppression. Experiments evaluating the correlation of signal intensity to mass-flow and concentration revealed that DART-MS can be seen as a mass flow sensitive detector. The usability of this hyphenated technique has been tested on the example of four parabenes (measured in the negative ion mode) as well as a set of pyrazine derivatives (measured in the positive ion mode). For the parabenes limits of detection (LOD) in the range of 20−55 μg L−1 and linear ranges from at least 200−10000 μg L−1 with correlation coefficients better than 0.997 were obtained.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of additives in poly(vinyl chloride) lid gaskets by direct analysis in real time ionisation and single-quadrupole mass spectrometry.\n \n \n \n \n\n\n \n Rothenbacher, T.; and Schwack, W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(1): 21–29. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{rothenbacher_rapid_2010,\n\ttitle = {Rapid identification of additives in poly(vinyl chloride) lid gaskets by direct analysis in real time ionisation and single-quadrupole mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4350},\n\tdoi = {10.1002/rcm.4350},\n\tabstract = {Gaskets for lids of glass jars usually consist of poly(vinyl chloride) (PVC) containing plasticisers and additional additives, which may migrate into packed foodstuffs. To conform to legal regulations, any such migration has to be determined analytically, which is a big challenge due to the huge chemical variety of additives in use. Therefore, a rapid screening method by means of direct analysis in real time mass spectrometry (DART-MS), using a single-quadrupole mass spectrometer, was developed. On introducing a plastisol sample into the DART interface, protonated molecules and ammonium adducts were obtained as the typical ionisation products of any additives present, and cleavages of ester bonds as typical fragmentation processes. Generally, additives present in the 1\\% range could be directly and easily identified if ion suppressive effects deriving from specific molecules did not occur. These effects could be avoided by analysing toluene extracts of plastisol samples, and this also improved the sensivity. Using this method, it was possible to identify phthalates, fatty acid amides, tributyl O-acetylcitrate, dibutyl sebacate, bis(2-ethylhexyl) adipate, 1,2-diisononyl 1,2-cyclohexanedicarboxylate, and even more complex additives like acetylated mono- and diacylglycerides, epoxidised soybean oil, and polyadipates, with a limit of detection of ≤1\\% in PVC plastisols. Only in the case of epoxidised linseed oil were levels of ≥5\\% required for identification. The detection of azodicarbonamide, used as a foaming agent within the manufacturing process, was possible in principle, but was not highly reproducible due to the very low concentrations in plastisols. Copyright © 2009 John Wiley \\& Sons, Ltd.},\n\tnumber = {1},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rothenbacher, Thorsten and Schwack, Wolfgang},\n\tyear = {2010},\n\tkeywords = {Agilent Quad},\n\tpages = {21--29},\n}\n\n\n\n
\n
\n\n\n
\n Gaskets for lids of glass jars usually consist of poly(vinyl chloride) (PVC) containing plasticisers and additional additives, which may migrate into packed foodstuffs. To conform to legal regulations, any such migration has to be determined analytically, which is a big challenge due to the huge chemical variety of additives in use. Therefore, a rapid screening method by means of direct analysis in real time mass spectrometry (DART-MS), using a single-quadrupole mass spectrometer, was developed. On introducing a plastisol sample into the DART interface, protonated molecules and ammonium adducts were obtained as the typical ionisation products of any additives present, and cleavages of ester bonds as typical fragmentation processes. Generally, additives present in the 1% range could be directly and easily identified if ion suppressive effects deriving from specific molecules did not occur. These effects could be avoided by analysing toluene extracts of plastisol samples, and this also improved the sensivity. Using this method, it was possible to identify phthalates, fatty acid amides, tributyl O-acetylcitrate, dibutyl sebacate, bis(2-ethylhexyl) adipate, 1,2-diisononyl 1,2-cyclohexanedicarboxylate, and even more complex additives like acetylated mono- and diacylglycerides, epoxidised soybean oil, and polyadipates, with a limit of detection of ≤1% in PVC plastisols. Only in the case of epoxidised linseed oil were levels of ≥5% required for identification. The detection of azodicarbonamide, used as a foaming agent within the manufacturing process, was possible in principle, but was not highly reproducible due to the very low concentrations in plastisols. Copyright © 2009 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of stabilisers in polypropylene using time-of-flight mass spectrometry and DART as ion source.\n \n \n \n \n\n\n \n Haunschmidt, M.; Klampfl, C. W.; Buchberger, W.; and Hertsens, R.\n\n\n \n\n\n\n The Analyst, 135(1): 80. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_rapid_2010,\n\ttitle = {Rapid identification of stabilisers in polypropylene using time-of-flight mass spectrometry and {DART} as ion source},\n\tvolume = {135},\n\tissn = {0003-2654, 1364-5528},\n\turl = {http://xlink.rsc.org/?DOI=b911040b},\n\tdoi = {10.1039/b911040b},\n\tabstract = {A method for analysing plastic samples without any sample pretreatment using direct analysis in real time mass spectrometry (DART-MS) was developed. DART-MS allows the direct, simple and rapid identification of polymer additives in plastic products. To demonstrate the suitability of DART-MS for the detection of a wide range of commonly employed stabilising agents, a test set of 21 stabilisers was selected. In a first step standard solutions of these stabilisers in toluene as well as toluene-extracts from polymer samples were analysed. Subsequently, to prove the applicability of the developed DART-MS method also for the direct analysis of plastic products, samples of polypropylene containing a range of stabilisers were prepared using a lab-scale compounder. Polymer samples were cut into 0.5 cm wide pieces and directly placed into the DART ion source. Focusing on the DART ionisation, several parameters like discharge needle potential, potential of the grid electrode and the discharge electrode, the heater temperature and the gas flow had to be varied to guarantee optimum results. Both positive and negative ionisation was tested, whereby the positive ion mode led to higher signal intensities for all analytes. Determination of accurate masses to improve the certainty in signal assignment could be achieved by using PEG 600 as an internal standard for mass calibration. The developed method allowed the detection of all selected additives (including some of their degradation products) in real polymer samples.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {The Analyst},\n\tauthor = {Haunschmidt, Manuela and Klampfl, Christian W. and Buchberger, Wolfgang and Hertsens, Robert},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {80},\n}\n\n\n\n
\n
\n\n\n
\n A method for analysing plastic samples without any sample pretreatment using direct analysis in real time mass spectrometry (DART-MS) was developed. DART-MS allows the direct, simple and rapid identification of polymer additives in plastic products. To demonstrate the suitability of DART-MS for the detection of a wide range of commonly employed stabilising agents, a test set of 21 stabilisers was selected. In a first step standard solutions of these stabilisers in toluene as well as toluene-extracts from polymer samples were analysed. Subsequently, to prove the applicability of the developed DART-MS method also for the direct analysis of plastic products, samples of polypropylene containing a range of stabilisers were prepared using a lab-scale compounder. Polymer samples were cut into 0.5 cm wide pieces and directly placed into the DART ion source. Focusing on the DART ionisation, several parameters like discharge needle potential, potential of the grid electrode and the discharge electrode, the heater temperature and the gas flow had to be varied to guarantee optimum results. Both positive and negative ionisation was tested, whereby the positive ion mode led to higher signal intensities for all analytes. Determination of accurate masses to improve the certainty in signal assignment could be achieved by using PEG 600 as an internal standard for mass calibration. The developed method allowed the detection of all selected additives (including some of their degradation products) in real polymer samples.\n
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\n \n\n \n \n \n \n \n The use of DART mass spectrometry for express confirmation of empirical formulas of heterocyclic compounds.\n \n \n \n\n\n \n Chernetsova, E.; Ovcharov, M.; Khomyakov, Y. Y.; Bochkov, P.; and Varlamov, A.\n\n\n \n\n\n\n Russian Chemical Bulletin, 59(10): 2014–2015. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{chernetsova_use_2010,\n\ttitle = {The use of {DART} mass spectrometry for express confirmation of empirical formulas of heterocyclic compounds},\n\tvolume = {59},\n\tabstract = {The results of studying the possibility of using DART spectrometry with a time-of-flight mass analyzer to confirm the elemental composition of heterocyclic compounds are presented. The method makes it possible to rapidly determine the molecular weight and to calculate the empirical formula of organic synthesis product.},\n\tnumber = {10},\n\tjournal = {Russian Chemical Bulletin},\n\tauthor = {Chernetsova, E.S. and Ovcharov, M.V. and Khomyakov, Yu. Yu. and Bochkov, P.O. and Varlamov, A.V.},\n\tyear = {2010},\n\tkeywords = {DART mass spectrometry; heterocyclic compounds; AccuTOF},\n\tpages = {2014--2015},\n}\n\n\n\n
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\n The results of studying the possibility of using DART spectrometry with a time-of-flight mass analyzer to confirm the elemental composition of heterocyclic compounds are presented. The method makes it possible to rapidly determine the molecular weight and to calculate the empirical formula of organic synthesis product.\n
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\n \n\n \n \n \n \n \n \n Explosives Detection Using Direct Analysis in Real Time (DART) Mass Spectrometry.\n \n \n \n \n\n\n \n Nilles, J. M.; Connell, T. R.; Stokes, S. T.; and Dupont Durst, H.\n\n\n \n\n\n\n Propellants, Explosives, Pyrotechnics, 35(5): 446–451. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ExplosivesPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nilles_explosives_2010,\n\ttitle = {Explosives {Detection} {Using} {Direct} {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry}},\n\tvolume = {35},\n\tissn = {07213115},\n\turl = {http://doi.wiley.com/10.1002/prep.200900084},\n\tdoi = {10.1002/prep.200900084},\n\tabstract = {The growing use of explosives by terrorists and criminals creates a need for instrumentation which can rapidly analyze these energetic compounds, preferably on site. Direct analysis in real time (DART) is a promising technology for surface analysis with little or no sample preparation. Therefore, DART ionization is evaluated for use in detecting explosives on solid substrates and in liquid matrices. Fifteen explosives were chosen as a consequence of their common usage. Five surfaces were chosen to represent a wide range of physical properties such as composition, porosity, surface morphology, and thermal and electrical conductivity. Additionally these surfaces are commonly found in everyday surroundings. All 75 compound-surface combinations produced a clear, easily identifiable, mass spectra characteristic of the targeted analyte. Simultaneous detection of five explosives is demonstrated on these same surfaces. Lastly, rapid detection of trace contamination in common fluids is also explored.},\n\tnumber = {5},\n\turldate = {2012-04-18},\n\tjournal = {Propellants, Explosives, Pyrotechnics},\n\tauthor = {Nilles, J. Michael and Connell, Theresa R. and Stokes, Sarah T. and Dupont Durst, H.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {446--451},\n}\n\n\n\n
\n
\n\n\n
\n The growing use of explosives by terrorists and criminals creates a need for instrumentation which can rapidly analyze these energetic compounds, preferably on site. Direct analysis in real time (DART) is a promising technology for surface analysis with little or no sample preparation. Therefore, DART ionization is evaluated for use in detecting explosives on solid substrates and in liquid matrices. Fifteen explosives were chosen as a consequence of their common usage. Five surfaces were chosen to represent a wide range of physical properties such as composition, porosity, surface morphology, and thermal and electrical conductivity. Additionally these surfaces are commonly found in everyday surroundings. All 75 compound-surface combinations produced a clear, easily identifiable, mass spectra characteristic of the targeted analyte. Simultaneous detection of five explosives is demonstrated on these same surfaces. Lastly, rapid detection of trace contamination in common fluids is also explored.\n
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\n \n\n \n \n \n \n \n \n Rapid Mass Spectrometric Metabolic Profiling of Blood Sera Detects Ovarian Cancer with High Accuracy.\n \n \n \n \n\n\n \n Zhou, M.; Guan, W.; Walker, L. D.; Mezencev, R.; Benigno, B. B.; Gray, A.; Fernandez, F. M.; and McDonald, J. F.\n\n\n \n\n\n\n Cancer Epidemiology, Biomarkers & Prevention, 19: 2262. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhou_rapid_2010,\n\ttitle = {Rapid {Mass} {Spectrometric} {Metabolic} {Profiling} of {Blood} {Sera} {Detects} {Ovarian} {Cancer} with {High} {Accuracy}},\n\tvolume = {19},\n\turl = {http://cebp.aacrjournals.org/content/early/2010/08/05/1055-9965.EPI-10-0126.abstract},\n\tdoi = {10.1158/1055-9965.EPI-10-0126},\n\tabstract = {Background: Ovarian cancer diagnosis is problematic because the disease is typically asymptomatic, especially at the early stages of progression and/or recurrence. We report here the integration of a new mass spectrometric technology with a novel support vector machine computational method for use in cancer diagnostics, and describe the application of the method to ovarian cancer.\n\nMethods: We coupled a high-throughput ambient ionization technique for mass spectrometry (direct analysis in real-time mass spectrometry) to profile relative metabolite levels in sera from 44 women diagnosed with serous papillary ovarian cancer (stages I-IV) and 50 healthy women or women with benign conditions. The profiles were input to a customized functional support vector machine–based machine-learning algorithm for diagnostic classification. Performance was evaluated through a 64-30 split validation test and with a stringent series of leave-one-out cross-validations.\n\nResults: The assay distinguished between the cancer and control groups with an unprecedented 99\\% to 100\\% accuracy (100\\% sensitivity and 100\\% specificity by the 64-30 split validation test; 100\\% sensitivity and 98\\% specificity by leave-one-out cross-validations).\n\nConclusion: The method has significant clinical potential as a cancer diagnostic tool. Because of the extremely low prevalence of ovarian cancer in the general population (∼0.04\\%), extensive prospective testing will be required to evaluate the test's potential utility in general screening applications. However, more immediate applications might be as a diagnostic tool in higher-risk groups or to monitor cancer recurrence after therapeutic treatment.\n\nImpact: The ability to accurately and inexpensively diagnose ovarian cancer will have a significant positive effect on ovarian cancer treatment and outcome.},\n\tjournal = {Cancer Epidemiology, Biomarkers \\& Prevention},\n\tauthor = {Zhou, M. and Guan, W. and Walker, L. D. and Mezencev, R. and Benigno, B. B. and Gray, A. and Fernandez, F. M. and McDonald, J. F.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {2262},\n}\n\n\n\n
\n
\n\n\n
\n Background: Ovarian cancer diagnosis is problematic because the disease is typically asymptomatic, especially at the early stages of progression and/or recurrence. We report here the integration of a new mass spectrometric technology with a novel support vector machine computational method for use in cancer diagnostics, and describe the application of the method to ovarian cancer. Methods: We coupled a high-throughput ambient ionization technique for mass spectrometry (direct analysis in real-time mass spectrometry) to profile relative metabolite levels in sera from 44 women diagnosed with serous papillary ovarian cancer (stages I-IV) and 50 healthy women or women with benign conditions. The profiles were input to a customized functional support vector machine–based machine-learning algorithm for diagnostic classification. Performance was evaluated through a 64-30 split validation test and with a stringent series of leave-one-out cross-validations. Results: The assay distinguished between the cancer and control groups with an unprecedented 99% to 100% accuracy (100% sensitivity and 100% specificity by the 64-30 split validation test; 100% sensitivity and 98% specificity by leave-one-out cross-validations). Conclusion: The method has significant clinical potential as a cancer diagnostic tool. Because of the extremely low prevalence of ovarian cancer in the general population (∼0.04%), extensive prospective testing will be required to evaluate the test's potential utility in general screening applications. However, more immediate applications might be as a diagnostic tool in higher-risk groups or to monitor cancer recurrence after therapeutic treatment. Impact: The ability to accurately and inexpensively diagnose ovarian cancer will have a significant positive effect on ovarian cancer treatment and outcome.\n
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\n \n\n \n \n \n \n \n Identification of Glycyrrhiza species by direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Fukuda, E.; Baba, M.; Iwasaki, N.; Uesawa, Y.; Arifuku, K.; Kamoe, O.; Tsubono, K.; and Okada, Y.\n\n\n \n\n\n\n Natural product communications, 5(11): 1755–1758. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fukuda_identification_2010,\n\ttitle = {Identification of {Glycyrrhiza} species by direct analysis in real time mass spectrometry.},\n\tvolume = {5},\n\tabstract = {DART (Direct Analysis in Real Time)-MS is a novel mass spectrometric ion source, and allows the analysis of most compounds at ambient pressure and ground potential by producing [M+H]+ molecular ion species. Using this method, we examined the compounds characteristic of several kinds of licorices. For the analysis of Glycyrrhiza inflata Batalin, the peak at m/z 339 originates mainly from [M+H]+ of licochalcone A (LA), a species-specific compound. This peak was hardly detected in G. glabra Linné and G. uralensis Fischer. These results indicate that G. inflata can be differentiated from the other two species by detection of LA peaks using DART-MS analysis.},\n\tnumber = {11},\n\tjournal = {Natural product communications},\n\tauthor = {Fukuda, Eriko and Baba, Masaki and Iwasaki, Noriaki and Uesawa, Yoshihiro and Arifuku, Kazunori and Kamoe, Osamu and Tsubono, Koji and Okada, Yoshihito},\n\tyear = {2010},\n\tpages = {1755--1758},\n}\n\n\n\n
\n
\n\n\n
\n DART (Direct Analysis in Real Time)-MS is a novel mass spectrometric ion source, and allows the analysis of most compounds at ambient pressure and ground potential by producing [M+H]+ molecular ion species. Using this method, we examined the compounds characteristic of several kinds of licorices. For the analysis of Glycyrrhiza inflata Batalin, the peak at m/z 339 originates mainly from [M+H]+ of licochalcone A (LA), a species-specific compound. This peak was hardly detected in G. glabra Linné and G. uralensis Fischer. These results indicate that G. inflata can be differentiated from the other two species by detection of LA peaks using DART-MS analysis.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time (DART) Mass Spectrometry of Nucleotides and Nucleosides: Elucidation of a Novel Fragment [C5H5O]+ and Its In-Source Adducts.\n \n \n \n\n\n \n Curtis, M. E.; Minier, M. A.; Chitranshi, P.; Sparkman, O. D.; Jones, P. R.; and Xue, L.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(8): 1371–1381. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{curtis_direct_2010,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry} of {Nucleotides} and {Nucleosides}: {Elucidation} of a {Novel} {Fragment} [{C5H5O}]+ and {Its} {In}-{Source} {Adducts}},\n\tvolume = {21},\n\tdoi = {10.1016/j.jasms.2010.03.046},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry is a recently developed innovative technology, which has shown broad applications for fast and convenient analysis of complex samples. Due to the ease of sample preparation, we have recently initiated an investigation of the feasibility of detecting nucleotides and nucleosides using the DART-AccuTOF instrument, which we will refer to as the DART mass spectrometer. Our experimental results reveal that the ions representing the intact molecules of nucleotides are not detectable in either positive-ion or negative-ion mode. Instead, all four natural nucleotides fragment in the DART ion source, and a common fragment ion, [C5H5O]+ (1), is observed, which is probably formed via multiple- elimination reactions. Interestingly, 1  can form adducts with nucleobases in different molar ratios in the DART ion source. In contrast to nucleotides, the ions representing the intact molecules of nucleosides are detected in both positive-ion and negative-ion mode using DART mass spectrometry. Surprisingly, the fragmentation pattern of nucleosides is different from that of nucleotides in the DART ion source. In the cases of nucleosides (under positive-ion conditions), the production of 1 is not observed, indicating that the phosphate group plays an important role for the multiple eliminations observed in the spectra of nucleotides. The in-source reactions described in the present work show the complexity of the conditions in the DART ion source, and we hope that our results illustrate a better understanding about DART mass spectrometry.},\n\tnumber = {8},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Curtis, M. E. and Minier, M. A. and Chitranshi, P. and Sparkman, O. D. and Jones, P. R. and Xue, L.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1371--1381},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) mass spectrometry is a recently developed innovative technology, which has shown broad applications for fast and convenient analysis of complex samples. Due to the ease of sample preparation, we have recently initiated an investigation of the feasibility of detecting nucleotides and nucleosides using the DART-AccuTOF instrument, which we will refer to as the DART mass spectrometer. Our experimental results reveal that the ions representing the intact molecules of nucleotides are not detectable in either positive-ion or negative-ion mode. Instead, all four natural nucleotides fragment in the DART ion source, and a common fragment ion, [C5H5O]+ (1), is observed, which is probably formed via multiple- elimination reactions. Interestingly, 1 can form adducts with nucleobases in different molar ratios in the DART ion source. In contrast to nucleotides, the ions representing the intact molecules of nucleosides are detected in both positive-ion and negative-ion mode using DART mass spectrometry. Surprisingly, the fragmentation pattern of nucleosides is different from that of nucleotides in the DART ion source. In the cases of nucleosides (under positive-ion conditions), the production of 1 is not observed, indicating that the phosphate group plays an important role for the multiple eliminations observed in the spectra of nucleotides. The in-source reactions described in the present work show the complexity of the conditions in the DART ion source, and we hope that our results illustrate a better understanding about DART mass spectrometry.\n
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\n \n\n \n \n \n \n \n Comparison of the Internal Energy Deposition of Direct Analysis in Real Time and Electrospray Ionization Time-of-Flight Mass Spectrometry.\n \n \n \n\n\n \n Harris, G. A.; Hostetler, D. M.; Hampton, C.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(5): 855–863. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{harris_comparison_2010,\n\ttitle = {Comparison of the {Internal} {Energy} {Deposition} of {Direct} {Analysis} in {Real} {Time} and {Electrospray} {Ionization} {Time}-of-{Flight} {Mass} {Spectrometry}},\n\tvolume = {21},\n\tdoi = {10.1016/j.jasms.2010.01.019},\n\tabstract = {The internal energy (Eint) distributions of a series of p-substituted benzylpyridinium ions generated by both direct analysis in real time (DART) and electrospray ionization (ESI) were compared using the “survival yield” method. DART mean Eint values at gas flow rates of 2, 4, and 6 L min−1, and at set temperatures of 175, 250, and 325 °C were in the 1.92–2.21 eV range. ESI mean Eint  at identical temperatures in aqueous and 50\\% methanol solutions ranged between 1.71 and 1.96 eV, and 1.53 and 1.63 eV, respectively. Although the results indicated that ESI is a “softer” ionization technique than DART, there was overlap between the two techniques for the particular time-of-flight mass spectrometer used. As a whole, there was an increase in Eint with increasing reactive and drying gas temperatures for DART and ESI, respectively, indicating thermal ion activation. Three dimensional computational fluid dynamic simulations in combination with direct temperature measurements within the DART ionization region revealed complex inversely coupled fluid-thermal phenomena affecting ion Eint values during atmospheric transport. Primarily, that DART gas temperature in the ionization region was appreciably less than the set gas temperature of DART due to the set gas flow rates. There was no evidence of Eint deposition pathways from metastable-stimulated desorption, but fragmentation induced by high-energy helium metastables was observed at the highest gas flow rates and temperatures.},\n\tnumber = {5},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Harris, G. A. and Hostetler, D. M. and Hampton, C.Y. and Fernández, F. M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {855--863},\n}\n\n\n\n
\n
\n\n\n
\n The internal energy (Eint) distributions of a series of p-substituted benzylpyridinium ions generated by both direct analysis in real time (DART) and electrospray ionization (ESI) were compared using the “survival yield” method. DART mean Eint values at gas flow rates of 2, 4, and 6 L min−1, and at set temperatures of 175, 250, and 325 °C were in the 1.92–2.21 eV range. ESI mean Eint at identical temperatures in aqueous and 50% methanol solutions ranged between 1.71 and 1.96 eV, and 1.53 and 1.63 eV, respectively. Although the results indicated that ESI is a “softer” ionization technique than DART, there was overlap between the two techniques for the particular time-of-flight mass spectrometer used. As a whole, there was an increase in Eint with increasing reactive and drying gas temperatures for DART and ESI, respectively, indicating thermal ion activation. Three dimensional computational fluid dynamic simulations in combination with direct temperature measurements within the DART ionization region revealed complex inversely coupled fluid-thermal phenomena affecting ion Eint values during atmospheric transport. Primarily, that DART gas temperature in the ionization region was appreciably less than the set gas temperature of DART due to the set gas flow rates. There was no evidence of Eint deposition pathways from metastable-stimulated desorption, but fragmentation induced by high-energy helium metastables was observed at the highest gas flow rates and temperatures.\n
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\n \n\n \n \n \n \n \n Applications of Direct Analysis in Real Time Mass Spectrometry (DART-MS) in Allium Chemistry. (Z)-Butanethial S-Oxide and 1-Butenyl Thiosulfinates and Their S-(E)-1-Butenylcysteine S-Oxide Precursor from Allium siculum.\n \n \n \n\n\n \n Kubec, R.; Cody, R.; Dane, A.; Musah, R.; Schraml, J.; Vattekkatte, A.; and Block, E.\n\n\n \n\n\n\n Journal of Agricultural and Food Chemistry, 58(2): 1121–1128. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kubec_applications_2010,\n\ttitle = {Applications of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) in {Allium} {Chemistry}. ({Z})-{Butanethial} {S}-{Oxide} and 1-{Butenyl} {Thiosulfinates} and {Their} {S}-({E})-1-{Butenylcysteine} {S}-{Oxide} {Precursor} from {Allium} siculum},\n\tvolume = {58},\n\tissn = {0021-8561},\n\tdoi = {10.1021/jf903733e},\n\tabstract = {Lachrymatory (Z)-butanethial S-oxide along with several 1-butenyl thiosulfinates was detected by DART mass spectrometry upon cutting Allium siculum, a popular ornamental Allium species used in some cultures as a spice. (Z)-Butanethial S-oxide isolated from the plant was shown to be identical to a synthetic sample. Its likely precursor, (RS,RC,E)-S-(1-butenyl)cysteine S-oxide (homoisoalliin), was isolated from homogenates of A. siculum, and a closely related species Allium tripedale, and fully characterized. Through use of LC-MS, a series of related γ-glutamyl derivatives were tentatively identified in A. siculum and A. tripedale homogenates, including γ-glutamyl-(E)-S-(1-butenyl)cysteine and its S-oxide, γ-glutamyl-S-butylcysteine and its S-oxide, and γ-glutamyl-S-methylcysteine and its S-oxide. Because compounds containing the 1-butenyl group have not been previously identified in genus Allium species, this work extends the range of known Allium sulfur compounds. The general applicability of DART mass spectrometry in identifying naturally occurring, thermally fragile thial S-oxides and thiosulfinates is illustrated with onion, Allium cepa, as well as a plant from a different genus, Petiveria alliacea.},\n\tnumber = {2},\n\tjournal = {Journal of Agricultural and Food Chemistry},\n\tauthor = {Kubec, R. and Cody, R.B. and Dane, A.J. and Musah, R.A. and Schraml, J. and Vattekkatte, A. and Block, E.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1121--1128},\n}\n\n\n\n
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\n Lachrymatory (Z)-butanethial S-oxide along with several 1-butenyl thiosulfinates was detected by DART mass spectrometry upon cutting Allium siculum, a popular ornamental Allium species used in some cultures as a spice. (Z)-Butanethial S-oxide isolated from the plant was shown to be identical to a synthetic sample. Its likely precursor, (RS,RC,E)-S-(1-butenyl)cysteine S-oxide (homoisoalliin), was isolated from homogenates of A. siculum, and a closely related species Allium tripedale, and fully characterized. Through use of LC-MS, a series of related γ-glutamyl derivatives were tentatively identified in A. siculum and A. tripedale homogenates, including γ-glutamyl-(E)-S-(1-butenyl)cysteine and its S-oxide, γ-glutamyl-S-butylcysteine and its S-oxide, and γ-glutamyl-S-methylcysteine and its S-oxide. Because compounds containing the 1-butenyl group have not been previously identified in genus Allium species, this work extends the range of known Allium sulfur compounds. The general applicability of DART mass spectrometry in identifying naturally occurring, thermally fragile thial S-oxides and thiosulfinates is illustrated with onion, Allium cepa, as well as a plant from a different genus, Petiveria alliacea.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time Ion Source.\n \n \n \n\n\n \n Cody, R. B.; and Dane, A. J.\n\n\n \n\n\n\n In Meyers, R. A., editor(s), Encyclopedia of Analytical Chemistry. John Wiley & Sons, Ltd., Published online: December 15, 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@incollection{cody_direct_2010,\n\taddress = {Published online: December 15},\n\ttitle = {Direct {Analysis} in {Real} {Time} {Ion} {Source}},\n\tisbn = {9780470027318},\n\tabstract = {Direct Analysis in Real Time (DARTTM) refers to an atmospheric-pressure “open-air” ion source that is based on the interaction of long-lived (“metastable”) excited-state neutral atoms or molecules with analytes and atmospheric gases. The DART source is used for the rapid analysis of liquids, solids, vapors, or materials on surfaces in open air with little or no sample preparation.},\n\tbooktitle = {Encyclopedia of {Analytical} {Chemistry}},\n\tpublisher = {John Wiley \\& Sons, Ltd.},\n\tauthor = {Cody, Robert B. and Dane, A. John},\n\teditor = {Meyers, Robert A.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DARTTM) refers to an atmospheric-pressure “open-air” ion source that is based on the interaction of long-lived (“metastable”) excited-state neutral atoms or molecules with analytes and atmospheric gases. The DART source is used for the rapid analysis of liquids, solids, vapors, or materials on surfaces in open air with little or no sample preparation.\n
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\n \n\n \n \n \n \n \n Selective ionization of melamine in powdered milk by using argon direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Dane, A. J.; and Cody, R. B.\n\n\n \n\n\n\n Analyst, 135(4): 696–699. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{dane_selective_2010,\n\ttitle = {Selective ionization of melamine in powdered milk by using argon direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {135},\n\tdoi = {10.1039/B923561B},\n\tabstract = {5-Hydroxymethylfurfural (5-HMF) is a compound with the elemental composition C6H6O3 that is present in powdered milk. Protonated 5-HMF (calculated m/z 127.0395) has the same nominal m/z as protonated melamine (calculated m/z 127.0732) and can interfere with direct analysis of melamine in powdered milk. Tandem mass spectrometry and high-resolution mass spectrometry have been previously used to distinguish melamine from 5-HMF. An alternative approach is presented here that uses the direct analysis in real time (DART) ion source operated with argon gas in combination with acetylacetone and pyridine reagent gases to selectively ionize melamine and eliminate the interference from 5-HMF. High-resolution/accurate mass data were used to verify the elimination of the 5-HMF interference and confirm the melamine elemental composition. With further refinement, this technique could lead to a rapid analysis method for screening large numbers of samples.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Dane, A. John and Cody, R. B.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {696--699},\n}\n\n\n\n
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\n 5-Hydroxymethylfurfural (5-HMF) is a compound with the elemental composition C6H6O3 that is present in powdered milk. Protonated 5-HMF (calculated m/z 127.0395) has the same nominal m/z as protonated melamine (calculated m/z 127.0732) and can interfere with direct analysis of melamine in powdered milk. Tandem mass spectrometry and high-resolution mass spectrometry have been previously used to distinguish melamine from 5-HMF. An alternative approach is presented here that uses the direct analysis in real time (DART) ion source operated with argon gas in combination with acetylacetone and pyridine reagent gases to selectively ionize melamine and eliminate the interference from 5-HMF. High-resolution/accurate mass data were used to verify the elimination of the 5-HMF interference and confirm the melamine elemental composition. With further refinement, this technique could lead to a rapid analysis method for screening large numbers of samples.\n
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\n \n\n \n \n \n \n \n Routine analysis and characterization of highly insoluble polycyclic aromatic compounds by direct analysis in real time mass spectrometry (DART).\n \n \n \n\n\n \n Domin, M.; Steinberg, B.; Quimby, J.; Smith, N.; Greene, A.; and Scott, L.\n\n\n \n\n\n\n Analyst, 135(4): 700–704. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{domin_routine_2010,\n\ttitle = {Routine analysis and characterization of highly insoluble polycyclic aromatic compounds by direct analysis in real time mass spectrometry ({DART})},\n\tvolume = {135},\n\tdoi = {10.1039/b923300h},\n\tabstract = {Direct Analysis in Real Time (DART), is used for the first time for the routine rapid analysis of highly insoluble polycyclic aromatic compounds. Direct analysis of such compounds as solid samples under solvent-free conditions shows that DART is a powerful analytical platform capable of providing high-throughput analysis for these complex samples, requiring no special sample pre-treatment or instrument setup.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Domin, M.A. and Steinberg, B.D. and Quimby, J.M. and Smith, N.J. and Greene, A.K. and Scott, L.T.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {700--704},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART), is used for the first time for the routine rapid analysis of highly insoluble polycyclic aromatic compounds. Direct analysis of such compounds as solid samples under solvent-free conditions shows that DART is a powerful analytical platform capable of providing high-throughput analysis for these complex samples, requiring no special sample pre-treatment or instrument setup.\n
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\n \n\n \n \n \n \n \n Investigations on the Coupling of High-Performance Liquid Chromatography to Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Eberherr, W.; Buchberger, W.; Hertsens, R.; and Klampfl, C.\n\n\n \n\n\n\n Analytical Chemistry, 82(13): 5792–5796. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{eberherr_investigations_2010,\n\ttitle = {Investigations on the {Coupling} of {High}-{Performance} {Liquid} {Chromatography} to {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {82},\n\tdoi = {10.1021/ac1008496},\n\tabstract = {A novel hyphenated technique namely the combination of HPLC with direct analysis in real time (DART) mass spectrometry (MS) is presented. The coupling of HPLC to DART-MS was achieved by a simple interface design with a capillary end piece transferring the HPLC effluent to the ionization region of the DART. Flow rates (0.3−1.6 mL min−1) and inner diameters of the capillary (50−150 μm) were harmonized to provide a stable liquid jet. Ionization-related parameters optimized included positioning of the capillary end piece with respect to He outlet of the ionization source and the MS inlet, He heater temperature and He flow rate. Among DART-MS voltages, the grid electrode voltage proved to have the most pronounced effect on signal intensities. A major benefit of this setup is the possibility to employ (commonly not MS-compatible) HPLC eluents such as phosphate buffers up to a phosphate concentration of 120 mM even at typical HPLC flow rates such as 1 mL min−1  and above without negative side effects like contamination of the ion source or ion suppression. Experiments evaluating the correlation of signal intensity to mass-flow and concentration revealed that DART-MS can be seen as a mass flow sensitive detector. The usability of this hyphenated technique has been tested on the example of four parabenes (measured in the negative ion mode) as well as a set of pyrazine derivatives (measured in the positive ion mode). For the parabenes limits of detection (LOD) in the range of 20−55 μg L−1 and linear ranges from at least 200−10000 μg L−1 with correlation coefficients better than 0.997 were obtained.},\n\tnumber = {13},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Eberherr, W. and Buchberger, W. and Hertsens, R. and Klampfl, C.W.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {5792--5796},\n}\n\n\n\n
\n
\n\n\n
\n A novel hyphenated technique namely the combination of HPLC with direct analysis in real time (DART) mass spectrometry (MS) is presented. The coupling of HPLC to DART-MS was achieved by a simple interface design with a capillary end piece transferring the HPLC effluent to the ionization region of the DART. Flow rates (0.3−1.6 mL min−1) and inner diameters of the capillary (50−150 μm) were harmonized to provide a stable liquid jet. Ionization-related parameters optimized included positioning of the capillary end piece with respect to He outlet of the ionization source and the MS inlet, He heater temperature and He flow rate. Among DART-MS voltages, the grid electrode voltage proved to have the most pronounced effect on signal intensities. A major benefit of this setup is the possibility to employ (commonly not MS-compatible) HPLC eluents such as phosphate buffers up to a phosphate concentration of 120 mM even at typical HPLC flow rates such as 1 mL min−1 and above without negative side effects like contamination of the ion source or ion suppression. Experiments evaluating the correlation of signal intensity to mass-flow and concentration revealed that DART-MS can be seen as a mass flow sensitive detector. The usability of this hyphenated technique has been tested on the example of four parabenes (measured in the negative ion mode) as well as a set of pyrazine derivatives (measured in the positive ion mode). For the parabenes limits of detection (LOD) in the range of 20−55 μg L−1 and linear ranges from at least 200−10000 μg L−1 with correlation coefficients better than 0.997 were obtained.\n
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\n \n\n \n \n \n \n \n Determination of organic UV filters in water by stir bar sorptive extraction and direct analysis in real-time mass spectrometry.\n \n \n \n\n\n \n Haunschmidt, M.; Klampfl, C.; Buchberger, W.; and Hertsens, R.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 397(1): 269–275. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_determination_2010,\n\ttitle = {Determination of organic {UV} filters in water by stir bar sorptive extraction and direct analysis in real-time mass spectrometry},\n\tvolume = {397},\n\tdoi = {10.1007/s00216-009-3438-9},\n\tabstract = {A screening method for analyzing environmental waters contaminated with UV filters using direct analysis in real-time mass spectrometry (DART-MS) was developed. To demonstrate the suitability of DART-MS a test set of seven organic UV filters, namely benzophenone-3 (BP-3), ethylhexyl dimethyl p-aminobenzoate (OD-PABA), 4-t-butyl-4′-methoxydibenzoylmethane (BM-DBM), homomethyl salicylate (HMS), 2-(ethylhexyl) salicylate (EHS), octocrylene (OC), and 4-methylbenzylidene camphor (4-MBC), was defined. In the first step, standard solutions of the analytes prepared in methanol were investigated in order to determine optimum parameters for the DART-MS. Because of the very low concentrations of UV filters expected in environmental water samples, a pre-concentration step using stir bar sorptive extraction was performed. DART-MS allows the direct, simple and rapid semi-quantitative analysis of the analytes enriched on the surface of the polydimethylsiloxane-coated stir bars. The optimized method provided calibration curves with correlation coefficients R{\\textgreater}0.959, repeatability from 5\\% (for 4-MBC) to 30\\% (for BM-DBM) relative standard deviation and limits of detection lower than 40 ng L−1 for all analytes. Finally, real lake water samples from locations with typical leisure activities were analyzed. Results obtained with the developed DART-MS method were cross-checked by confirmatory analysis using thermodesorption gas chromatography mass spectrometry (TD-GC-MS). Thereby, it could be demonstrated that both analytical methods provide comparable concentrations for the UV filters in the lake water samples.},\n\tnumber = {1},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Haunschmidt, Manuela and Klampfl, Christian and Buchberger, Wolfgang and Hertsens, Robert},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {269--275},\n}\n\n\n\n
\n
\n\n\n
\n A screening method for analyzing environmental waters contaminated with UV filters using direct analysis in real-time mass spectrometry (DART-MS) was developed. To demonstrate the suitability of DART-MS a test set of seven organic UV filters, namely benzophenone-3 (BP-3), ethylhexyl dimethyl p-aminobenzoate (OD-PABA), 4-t-butyl-4′-methoxydibenzoylmethane (BM-DBM), homomethyl salicylate (HMS), 2-(ethylhexyl) salicylate (EHS), octocrylene (OC), and 4-methylbenzylidene camphor (4-MBC), was defined. In the first step, standard solutions of the analytes prepared in methanol were investigated in order to determine optimum parameters for the DART-MS. Because of the very low concentrations of UV filters expected in environmental water samples, a pre-concentration step using stir bar sorptive extraction was performed. DART-MS allows the direct, simple and rapid semi-quantitative analysis of the analytes enriched on the surface of the polydimethylsiloxane-coated stir bars. The optimized method provided calibration curves with correlation coefficients R\\textgreater0.959, repeatability from 5% (for 4-MBC) to 30% (for BM-DBM) relative standard deviation and limits of detection lower than 40 ng L−1 for all analytes. Finally, real lake water samples from locations with typical leisure activities were analyzed. Results obtained with the developed DART-MS method were cross-checked by confirmatory analysis using thermodesorption gas chromatography mass spectrometry (TD-GC-MS). Thereby, it could be demonstrated that both analytical methods provide comparable concentrations for the UV filters in the lake water samples.\n
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\n \n\n \n \n \n \n \n Thermal separation to facilitate Direct Analysis in Real Time (DART) of mixtures.\n \n \n \n\n\n \n Nilles, J.; Connell, T.; and Durst, H.\n\n\n \n\n\n\n Analyst, 135(5): 883–886. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nilles_thermal_2010,\n\ttitle = {Thermal separation to facilitate {Direct} {Analysis} in {Real} {Time} ({DART}) of mixtures},\n\tvolume = {135},\n\tdoi = {10.1039/c0an00036a},\n\tabstract = {We explore a thermal separation technique for use with Direct Analysis in Real Time (DART). By applying gas temperature ramping, we are able to disburse a mixture of compounds in time. The three components were selected to create a challenging mixture that would not likely be discerned solely using exact mass capabilities. While the thermal separation technique is of low resolution, it preserves the inherent rapid, non-contact, ambient characteristics of the ion source.},\n\tnumber = {5},\n\tjournal = {Analyst},\n\tauthor = {Nilles, J.M. and Connell, T.R. and Durst, H.D.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {883--886},\n}\n\n\n\n
\n
\n\n\n
\n We explore a thermal separation technique for use with Direct Analysis in Real Time (DART). By applying gas temperature ramping, we are able to disburse a mixture of compounds in time. The three components were selected to create a challenging mixture that would not likely be discerned solely using exact mass capabilities. While the thermal separation technique is of low resolution, it preserves the inherent rapid, non-contact, ambient characteristics of the ion source.\n
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\n \n\n \n \n \n \n \n The use of DART mass spectrometry for express confirmation of empirical formulas of heterocyclic compounds.\n \n \n \n\n\n \n Chernetsova, E.; Ovcharov, M.; Khomyakov, Y. Y.; Bochkov, P.; and Varlamov, A.\n\n\n \n\n\n\n Russian Chemical Bulletin, 59(10): 2014–2015. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_use_2010,\n\ttitle = {The use of {DART} mass spectrometry for express confirmation of empirical formulas of heterocyclic compounds},\n\tvolume = {59},\n\tabstract = {The results of studying the possibility of using DART spectrometry with a time-of-flight mass analyzer to confirm the elemental composition of heterocyclic compounds are presented. The method makes it possible to rapidly determine the molecular weight and to calculate the empirical formula of organic synthesis product.},\n\tnumber = {10},\n\tjournal = {Russian Chemical Bulletin},\n\tauthor = {Chernetsova, E.S. and Ovcharov, M.V. and Khomyakov, Yu. Yu. and Bochkov, P.O. and Varlamov, A.V.},\n\tyear = {2010},\n\tkeywords = {DART mass spectrometry; heterocyclic compounds; AccuTOF},\n\tpages = {2014--2015},\n}\n\n\n\n
\n
\n\n\n
\n The results of studying the possibility of using DART spectrometry with a time-of-flight mass analyzer to confirm the elemental composition of heterocyclic compounds are presented. The method makes it possible to rapidly determine the molecular weight and to calculate the empirical formula of organic synthesis product.\n
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\n \n\n \n \n \n \n \n Recognition of beer brand based on multivariate analysis of volatile fingerprint.\n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1217(25): 4195–4203. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cajka_recognition_2010,\n\ttitle = {Recognition of beer brand based on multivariate analysis of volatile fingerprint},\n\tvolume = {1217},\n\tdoi = {10.1016/j.chroma.2009.12.049},\n\tabstract = {Automated head-space solid-phase microextraction (HS-SPME)-based sampling procedure, coupled to gas chromatography-time-of-flight mass spectrometry (GC-TOFMS), was developed and employed for obtaining of fingerprints (GC profiles) of beer volatiles. In total, 265 speciality beer samples were collected over a 1-year period with the aim to distinguish, based on analytical (profiling) data, (i) the beers labelled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. For the chemometric evaluation of the data, partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) were tested. The best prediction ability was obtained for the model that distinguished a group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided 100\\% correct classification. Slightly worse prediction abilities were achieved for the models "Trappist vs. non-Trappist beers" with the values of 93.9\\% (PLS-DA), 91.9\\% (LDA) and 97.0\\% (ANN-MLP) and "Rochefort 8 vs. the rest" with the values of 87.9\\% (PLS-DA) and 84.8\\% (LDA) and 93.9\\% (ANN-MLP). In addition to chromatographic profiling, also the potential of direct coupling of SPME (extraction/pre-concentration device) with high-resolution TOFMS employing a direct analysis in real time (DART) ion source has been demonstrated as a challenging profiling approach.},\n\tnumber = {25},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Cajka, T. and Riddellova, K. and Tomaniova, M. and Hajslova, J.},\n\tyear = {2010},\n\tkeywords = {DART; AccuTOF},\n\tpages = {4195--4203},\n}\n\n\n\n
\n
\n\n\n
\n Automated head-space solid-phase microextraction (HS-SPME)-based sampling procedure, coupled to gas chromatography-time-of-flight mass spectrometry (GC-TOFMS), was developed and employed for obtaining of fingerprints (GC profiles) of beer volatiles. In total, 265 speciality beer samples were collected over a 1-year period with the aim to distinguish, based on analytical (profiling) data, (i) the beers labelled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. For the chemometric evaluation of the data, partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) were tested. The best prediction ability was obtained for the model that distinguished a group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided 100% correct classification. Slightly worse prediction abilities were achieved for the models \"Trappist vs. non-Trappist beers\" with the values of 93.9% (PLS-DA), 91.9% (LDA) and 97.0% (ANN-MLP) and \"Rochefort 8 vs. the rest\" with the values of 87.9% (PLS-DA) and 84.8% (LDA) and 93.9% (ANN-MLP). In addition to chromatographic profiling, also the potential of direct coupling of SPME (extraction/pre-concentration device) with high-resolution TOFMS employing a direct analysis in real time (DART) ion source has been demonstrated as a challenging profiling approach.\n
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\n \n\n \n \n \n \n \n Applications of Direct Analysis in Real Time Mass Spectrometry (DART-MS) in Allium Chemistry. 2-Propenesulfenic and 2-Propenesulfinic Acids, Diallyl Trisulfane S-Oxide, and Other Reactive Sulfur Compounds from Crushed Garlic and Other Alliums.\n \n \n \n\n\n \n Block, E.; Dane, A.; Thomas, S.; and Cody, R.\n\n\n \n\n\n\n Journal of Agricultural and Food Chemistry, 58(8): 4617–4625. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{block_applications_2010,\n\ttitle = {Applications of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) in {Allium} {Chemistry}. 2-{Propenesulfenic} and 2-{Propenesulfinic} {Acids}, {Diallyl} {Trisulfane} {S}-{Oxide}, and {Other} {Reactive} {Sulfur} {Compounds} from {Crushed} {Garlic} and {Other} {Alliums}},\n\tvolume = {58},\n\tdoi = {10.1021/jf1000106},\n\tabstract = {Through the use of direct analysis in real time mass spectrometry (DART-MS), 2-propenesulfenic acid, an intermediate long postulated as being formed when garlic (Allium sativum) is crushed, has been detected for the first time and determined by mass spectrometric methods to have a half-life of {\\textless}1 s at room temperature. Two other key intermediates, 2-propenesulfinic acid and diallyl trisulfane S-oxide, have also been detected for the first time in volatiles from crushed garlic, along with allicin and related thiosulfinates, allyl alcohol, sulfur dioxide, propene, and pyruvate as coproducts. A commercial dietary supplement containing garlic powder, which was sampled after crushing, was found to contain alliin, methiin, and S-allylcysteine and produced allicin upon addition of water. DART-MS detection of 1-butenesulfenic acid from the ornamental A. siculum is also reported. (Z)-Propanethial S-oxide (onion lachrymatory factor), absent in garlic, is found to be formed from crushed elephant garlic (Allium ampeloprasum), consistent with the classification of this plant as a closer relative of leek than of garlic. Mixtures of thiosulfinates, lachrymatory thial S-oxides, and related compounds are directly observed from crushed leek (Allium porrum) and Chinese chive (Allium tuberosum). Disulfanes and polysulfanes are detected only when the Allium samples are heated, consistent with earlier conclusions that these are not primary products from cut or crushed alliums.},\n\tnumber = {8},\n\tjournal = {Journal of Agricultural and Food Chemistry},\n\tauthor = {Block, E. and Dane, A.J. and Thomas, S. and Cody, R.B.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {4617--4625},\n}\n\n\n\n
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\n Through the use of direct analysis in real time mass spectrometry (DART-MS), 2-propenesulfenic acid, an intermediate long postulated as being formed when garlic (Allium sativum) is crushed, has been detected for the first time and determined by mass spectrometric methods to have a half-life of \\textless1 s at room temperature. Two other key intermediates, 2-propenesulfinic acid and diallyl trisulfane S-oxide, have also been detected for the first time in volatiles from crushed garlic, along with allicin and related thiosulfinates, allyl alcohol, sulfur dioxide, propene, and pyruvate as coproducts. A commercial dietary supplement containing garlic powder, which was sampled after crushing, was found to contain alliin, methiin, and S-allylcysteine and produced allicin upon addition of water. DART-MS detection of 1-butenesulfenic acid from the ornamental A. siculum is also reported. (Z)-Propanethial S-oxide (onion lachrymatory factor), absent in garlic, is found to be formed from crushed elephant garlic (Allium ampeloprasum), consistent with the classification of this plant as a closer relative of leek than of garlic. Mixtures of thiosulfinates, lachrymatory thial S-oxides, and related compounds are directly observed from crushed leek (Allium porrum) and Chinese chive (Allium tuberosum). Disulfanes and polysulfanes are detected only when the Allium samples are heated, consistent with earlier conclusions that these are not primary products from cut or crushed alliums.\n
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\n \n\n \n \n \n \n \n Allium chemistry: Use of new instrumental techniques to “see” reactive organosulfur species formed upon crushing garlic and onion.\n \n \n \n\n\n \n Block, E.; Cody, R.; Dane, A.; Sheridan, R.; Vattekkatte, A.; and Wang, K.\n\n\n \n\n\n\n Pure and Applied Chemistry, 82(3): 535–539. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{block_allium_2010,\n\ttitle = {Allium chemistry: {Use} of new instrumental techniques to “see” reactive organosulfur species formed upon crushing garlic and onion},\n\tvolume = {82},\n\tdoi = {10.1351/PAC-CON-09-08-12},\n\tabstract = {Three different instrumental methods have been used to examine the organosulfur chemistry of intact and cut garlic and onions: X-ray fluorescence spectroscopic imaging (XFS), direct analysis in real time (DART) mass spec-trometry, and ultra-performance liquid chromatography-(Ag+)-coordination ion spray mass spectrometry (UPLC–(Ag+)CIS–MS). The first technique has been used to map the location of different chemical forms of sulfur in intact and damaged onion cells, the second technique, to identify the reactive, volatile sulfur compounds formed on cutting the plants, and the third technique, to identify members of families of polysulfides  found in the distilled oil of garlic.},\n\tnumber = {3},\n\tjournal = {Pure and Applied Chemistry},\n\tauthor = {Block, E. and Cody, R.B. and Dane, A.J. and Sheridan, R. and Vattekkatte, A. and Wang, K.},\n\tyear = {2010},\n\tkeywords = {direct analysis in real time; garlic; mass spectrometry; onion; sulfur compounds; ultra-performance liquid chromatography; X-ray fluorescence spectroscopy, AccuTOF},\n\tpages = {535--539},\n}\n\n\n\n
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\n Three different instrumental methods have been used to examine the organosulfur chemistry of intact and cut garlic and onions: X-ray fluorescence spectroscopic imaging (XFS), direct analysis in real time (DART) mass spec-trometry, and ultra-performance liquid chromatography-(Ag+)-coordination ion spray mass spectrometry (UPLC–(Ag+)CIS–MS). The first technique has been used to map the location of different chemical forms of sulfur in intact and damaged onion cells, the second technique, to identify the reactive, volatile sulfur compounds formed on cutting the plants, and the third technique, to identify members of families of polysulfides found in the distilled oil of garlic.\n
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\n \n\n \n \n \n \n \n \n Molecular Analysis of Primary Vapor and Char Products during Stepwise Pyrolysis of Poplar Biomass.\n \n \n \n \n\n\n \n Jones, R. W.; Reinot, T.; and McClelland, J. F.\n\n\n \n\n\n\n Energy & Fuels, 24(9): 5199–5209. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"MolecularPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{jones_molecular_2010,\n\ttitle = {Molecular {Analysis} of {Primary} {Vapor} and {Char} {Products} during {Stepwise} {Pyrolysis} of {Poplar} {Biomass}},\n\tvolume = {24},\n\turl = {http://dx.doi.org/10.1021/ef100655n},\n\tdoi = {10.1021/ef100655n},\n\tabstract = {Pyrolysis of biomass produces both pyrolysis oil and solid char. In this study, poplar has been pyrolyzed in a stepwise fashion over a series of temperatures from 200 to 500 °C, and both the primary products contributing to pyrolysis oil and the changes in the pyrolyzing poplar surface leading toward char have been characterized at each step. The primary products were identified by direct analysis in real time (DART) mass spectrometry, and the changes in the poplar surface were monitored using Fourier transform infrared (FTIR) photoacoustic spectroscopy, with a sampling depth of a few micrometers. The primary products from pyrolyzing cellulose, xylan, and lignin under similar conditions were also characterized to identify the sources of the poplar products.},\n\tnumber = {9},\n\tjournal = {Energy \\& Fuels},\n\tauthor = {Jones, Roger W. and Reinot, Tonu and McClelland, John F.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {5199--5209},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Pyrolysis of biomass produces both pyrolysis oil and solid char. In this study, poplar has been pyrolyzed in a stepwise fashion over a series of temperatures from 200 to 500 °C, and both the primary products contributing to pyrolysis oil and the changes in the pyrolyzing poplar surface leading toward char have been characterized at each step. The primary products were identified by direct analysis in real time (DART) mass spectrometry, and the changes in the poplar surface were monitored using Fourier transform infrared (FTIR) photoacoustic spectroscopy, with a sampling depth of a few micrometers. The primary products from pyrolyzing cellulose, xylan, and lignin under similar conditions were also characterized to identify the sources of the poplar products.\n
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\n \n\n \n \n \n \n \n \n Release kinetics of actives from chewing gums into saliva monitored by direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Jeckelmann, N.; and Haefliger, O. P.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(8): 1165–1171. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ReleasePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{jeckelmann_release_2010,\n\ttitle = {Release kinetics of actives from chewing gums into saliva monitored by direct analysis in real time mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4500},\n\tdoi = {10.1002/rcm.4500},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) was used to monitor the release kinetics of a taste-refreshing compound from chewing gums into the saliva of subjects. A new DART-MS sample probe was designed which was about four times more sensitive than the current benchmark probe. This decreased the impact of the dilution of the saliva samples that was required to minimize ion suppression effects and make quantitative analyses without an internal standard possible. The new probe was also about three times more reproducible, which allowed quantitative measurements to be conducted manually without requiring the enhanced precision provided by an automatic sample positioner. The accuracy of analyses performed by DART-MS was verified by comparing the results obtained from saliva samples analyzed both by DART-MS and by a more classical liquid chromatography/mass spectrometry (LC/MS) method. This investigation showed good agreement between the two techniques. DART-MS could then be used to objectively demonstrate the efficiency of a granular carbohydrate-based delivery system to boost for a few minutes the release of a lipophilic flavor raw material with a high octanol/water partition coefficient, cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl) (WS-3), from chewing gum into saliva. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {8},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Jeckelmann, Nicolas and Haefliger, Olivier P.},\n\tyear = {2010},\n\tkeywords = {Applied Biosystems QTrap},\n\tpages = {1165--1171},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) was used to monitor the release kinetics of a taste-refreshing compound from chewing gums into the saliva of subjects. A new DART-MS sample probe was designed which was about four times more sensitive than the current benchmark probe. This decreased the impact of the dilution of the saliva samples that was required to minimize ion suppression effects and make quantitative analyses without an internal standard possible. The new probe was also about three times more reproducible, which allowed quantitative measurements to be conducted manually without requiring the enhanced precision provided by an automatic sample positioner. The accuracy of analyses performed by DART-MS was verified by comparing the results obtained from saliva samples analyzed both by DART-MS and by a more classical liquid chromatography/mass spectrometry (LC/MS) method. This investigation showed good agreement between the two techniques. DART-MS could then be used to objectively demonstrate the efficiency of a granular carbohydrate-based delivery system to boost for a few minutes the release of a lipophilic flavor raw material with a high octanol/water partition coefficient, cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl) (WS-3), from chewing gum into saliva. Copyright © 2010 John Wiley & Sons, Ltd.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Transmission-mode direct analysis in real time and desorption electrospray ionization mass spectrometry of insecticide-treated bednets for malaria control.\n \n \n \n \n\n\n \n Perez, J. J.; Harris, G. A.; Chipuk, J. E.; Brodbelt, J. S.; Green, M. D.; Hampton, C. Y.; and Fernandez, F. M.\n\n\n \n\n\n\n Analyst, 135(4): 712–719. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"Transmission-modePaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{perez_transmission-mode_2010,\n\ttitle = {Transmission-mode direct analysis in real time and desorption electrospray ionization mass spectrometry of insecticide-treated bednets for malaria control},\n\tvolume = {135},\n\tissn = {0003-2654},\n\turl = {http://dx.doi.org/10.1039/B924533B},\n\tabstract = {Transmission-mode direct analysis in real time (TM-DART) is presented as an alternative sampling strategy to traditional methods of sample introduction for DART MS analysis. A custom-designed sample holder was fabricated to rapidly and reproducibly position insecticide-treated nets normal to the ionizing metastable gas stream, enabling transmission of desorbed analyte ions through the holder cavity and into the MS. Introduction of the sample at this fixed geometry eliminates the need for optimizing sample position and allows spectra based on factors such as metastable gas temperature and flow to be systematically evaluated. The results presented here, supported by computational fluid dynamic simulations, demonstrate the effects of these factors on the resulting mass spectra and the potential of this sampling strategy to be used for qualitative and quantitative analyses. Transmission-mode desorption electrospray ionization (TM-DESI) experiments on similar insecticide-treated nets were performed for comparison purposes.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Perez, Jose J. and Harris, Glenn A. and Chipuk, Joseph E. and Brodbelt, Jennifer S. and Green, Michael D. and Hampton, Christina Y. and Fernandez, Facundo M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {712--719},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Transmission-mode direct analysis in real time (TM-DART) is presented as an alternative sampling strategy to traditional methods of sample introduction for DART MS analysis. A custom-designed sample holder was fabricated to rapidly and reproducibly position insecticide-treated nets normal to the ionizing metastable gas stream, enabling transmission of desorbed analyte ions through the holder cavity and into the MS. Introduction of the sample at this fixed geometry eliminates the need for optimizing sample position and allows spectra based on factors such as metastable gas temperature and flow to be systematically evaluated. The results presented here, supported by computational fluid dynamic simulations, demonstrate the effects of these factors on the resulting mass spectra and the potential of this sampling strategy to be used for qualitative and quantitative analyses. Transmission-mode desorption electrospray ionization (TM-DESI) experiments on similar insecticide-treated nets were performed for comparison purposes.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Rapid identification of additives in poly(vinyl chloride) lid gaskets by direct analysis in real time ionisation and single-quadrupole mass spectrometry.\n \n \n \n \n\n\n \n Rothenbacher, T.; and Schwack, W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(1): 21–29. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{rothenbacher_rapid_2010,\n\ttitle = {Rapid identification of additives in poly(vinyl chloride) lid gaskets by direct analysis in real time ionisation and single-quadrupole mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4350},\n\tdoi = {10.1002/rcm.4350},\n\tabstract = {Gaskets for lids of glass jars usually consist of poly(vinyl chloride) (PVC) containing plasticisers and additional additives, which may migrate into packed foodstuffs. To conform to legal regulations, any such migration has to be determined analytically, which is a big challenge due to the huge chemical variety of additives in use. Therefore, a rapid screening method by means of direct analysis in real time mass spectrometry (DART-MS), using a single-quadrupole mass spectrometer, was developed. On introducing a plastisol sample into the DART interface, protonated molecules and ammonium adducts were obtained as the typical ionisation products of any additives present, and cleavages of ester bonds as typical fragmentation processes. Generally, additives present in the 1\\% range could be directly and easily identified if ion suppressive effects deriving from specific molecules did not occur. These effects could be avoided by analysing toluene extracts of plastisol samples, and this also improved the sensivity. Using this method, it was possible to identify phthalates, fatty acid amides, tributyl O-acetylcitrate, dibutyl sebacate, bis(2-ethylhexyl) adipate, 1,2-diisononyl 1,2-cyclohexanedicarboxylate, and even more complex additives like acetylated mono- and diacylglycerides, epoxidised soybean oil, and polyadipates, with a limit of detection of ≤1\\% in PVC plastisols. Only in the case of epoxidised linseed oil were levels of ≥5\\% required for identification. The detection of azodicarbonamide, used as a foaming agent within the manufacturing process, was possible in principle, but was not highly reproducible due to the very low concentrations in plastisols. Copyright © 2009 John Wiley \\& Sons, Ltd.},\n\tnumber = {1},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rothenbacher, Thorsten and Schwack, Wolfgang},\n\tyear = {2010},\n\tkeywords = {Agilent Quad},\n\tpages = {21--29},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Gaskets for lids of glass jars usually consist of poly(vinyl chloride) (PVC) containing plasticisers and additional additives, which may migrate into packed foodstuffs. To conform to legal regulations, any such migration has to be determined analytically, which is a big challenge due to the huge chemical variety of additives in use. Therefore, a rapid screening method by means of direct analysis in real time mass spectrometry (DART-MS), using a single-quadrupole mass spectrometer, was developed. On introducing a plastisol sample into the DART interface, protonated molecules and ammonium adducts were obtained as the typical ionisation products of any additives present, and cleavages of ester bonds as typical fragmentation processes. Generally, additives present in the 1% range could be directly and easily identified if ion suppressive effects deriving from specific molecules did not occur. These effects could be avoided by analysing toluene extracts of plastisol samples, and this also improved the sensivity. Using this method, it was possible to identify phthalates, fatty acid amides, tributyl O-acetylcitrate, dibutyl sebacate, bis(2-ethylhexyl) adipate, 1,2-diisononyl 1,2-cyclohexanedicarboxylate, and even more complex additives like acetylated mono- and diacylglycerides, epoxidised soybean oil, and polyadipates, with a limit of detection of ≤1% in PVC plastisols. Only in the case of epoxidised linseed oil were levels of ≥5% required for identification. The detection of azodicarbonamide, used as a foaming agent within the manufacturing process, was possible in principle, but was not highly reproducible due to the very low concentrations in plastisols. Copyright © 2009 John Wiley & Sons, Ltd.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n The coupling of direct analysis in real time ionization to Fourier transform ion cyclotron resonance mass spectrometry for ultrahigh-resolution mass analysis.\n \n \n \n \n\n\n \n Rummel, J. L.; McKenna, A. M.; Marshall, A. G.; Eyler, J. R.; and Powell, D. H.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(6): 784–790. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{rummel_coupling_2010,\n\ttitle = {The coupling of direct analysis in real time ionization to {Fourier} transform ion cyclotron resonance mass spectrometry for ultrahigh-resolution mass analysis},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4450},\n\tdoi = {10.1002/rcm.4450},\n\tabstract = {Direct Analysis in Real Time (DART) is an ambient ionization technique for mass spectrometry that provides rapid and sensitive analyses with little or no sample preparation. DART has been reported primarily for mass analyzers of low to moderate resolving power such as quadrupole ion traps and time-of-flight (TOF) mass spectrometers. In the current work, a custom-built DART source has been successfully coupled to two different Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers for the first time. Comparison of spectra of the isobaric compounds, diisopropyl methylphosphonate and theophylline, acquired by 4.7 T FT-ICR MS and TOF MS, demonstrates that the TOF resolving power can be insufficient for compositionally complex samples. 9.4 T FT-ICR MS yielded the highest mass resolving power yet reported with DART ionization for 1,2-benzanthracene and 9,10-diphenylanthracene. Polycyclic aromatic hydrocarbons exhibit a spatial dependence in ionization mechanisms between the DART source and the mass spectrometer. The feasibility of analyzing a variety of samples was established with the introduction and analysis of food products and crude oil samples. DART FT-ICR MS provides complex sample analysis that is rapid, highly selective and information-rich, but limited to relatively low-mass analytes. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {6},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rummel, Julia L. and McKenna, Amy M. and Marshall, Alan G. and Eyler, John R. and Powell, David H.},\n\tyear = {2010},\n\tkeywords = {FT-ICR},\n\tpages = {784--790},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART) is an ambient ionization technique for mass spectrometry that provides rapid and sensitive analyses with little or no sample preparation. DART has been reported primarily for mass analyzers of low to moderate resolving power such as quadrupole ion traps and time-of-flight (TOF) mass spectrometers. In the current work, a custom-built DART source has been successfully coupled to two different Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers for the first time. Comparison of spectra of the isobaric compounds, diisopropyl methylphosphonate and theophylline, acquired by 4.7 T FT-ICR MS and TOF MS, demonstrates that the TOF resolving power can be insufficient for compositionally complex samples. 9.4 T FT-ICR MS yielded the highest mass resolving power yet reported with DART ionization for 1,2-benzanthracene and 9,10-diphenylanthracene. Polycyclic aromatic hydrocarbons exhibit a spatial dependence in ionization mechanisms between the DART source and the mass spectrometer. The feasibility of analyzing a variety of samples was established with the introduction and analysis of food products and crude oil samples. DART FT-ICR MS provides complex sample analysis that is rapid, highly selective and information-rich, but limited to relatively low-mass analytes. Copyright © 2010 John Wiley & Sons, Ltd.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Analysis of multiple mycotoxins in beer employing (ultra)-high-resolution mass spectrometry.\n \n \n \n \n\n\n \n Zachariasova, M.; Cajka, T.; Godula, M.; Malachova, A.; Veprikova, Z.; and Hajslova, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(22): 3357–3367. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zachariasova_analysis_2010,\n\ttitle = {Analysis of multiple mycotoxins in beer employing (ultra)-high-resolution mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4746},\n\tdoi = {10.1002/rcm.4746},\n\tabstract = {The objective of the presented study was to develop and optimize a simple, high-throughput method for the control of 32 mycotoxins (Fusarium and Alternaria toxins, aflatoxins, ergot alkaloids, ochratoxins, and sterigmatocystin) in beer. Due to the broad range of their physicochemical properties, the sample preparation step was simplified as much as possible to avoid analyte losses. The addition of acetonitrile to beer samples enabled precipitation of abundant matrix components. The clean-up efficiency was controlled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source. For determination of analytes, ultra-high-performance liquid chromatography hyphenated with high-resolution mass spectrometry utilizing an orbitrap (U-HPLC–orbitrapMS) or time-of-flight (TOFMS) technology was used. Because of significantly better detection capabilities of the orbitrap technology, the U-HPLC–orbitrapMS method was chosen as a determinative step and fully validated. To compensate matrix effects, matrix-matched calibration was employed. The lowest calibration levels for most of the target mycotoxins ranged from 1 to 8 µg L−1 beer and the recoveries of analytes were in range from 86 to 124\\%. Copyright © 2010 John Wiley \\& Sons, Ltd.},\n\tnumber = {22},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Zachariasova, Milena and Cajka, Tomas and Godula, Michal and Malachova, Alexandra and Veprikova, Zdenka and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Orbitrap},\n\tpages = {3357--3367},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The objective of the presented study was to develop and optimize a simple, high-throughput method for the control of 32 mycotoxins (Fusarium and Alternaria toxins, aflatoxins, ergot alkaloids, ochratoxins, and sterigmatocystin) in beer. Due to the broad range of their physicochemical properties, the sample preparation step was simplified as much as possible to avoid analyte losses. The addition of acetonitrile to beer samples enabled precipitation of abundant matrix components. The clean-up efficiency was controlled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source. For determination of analytes, ultra-high-performance liquid chromatography hyphenated with high-resolution mass spectrometry utilizing an orbitrap (U-HPLC–orbitrapMS) or time-of-flight (TOFMS) technology was used. Because of significantly better detection capabilities of the orbitrap technology, the U-HPLC–orbitrapMS method was chosen as a determinative step and fully validated. To compensate matrix effects, matrix-matched calibration was employed. The lowest calibration levels for most of the target mycotoxins ranged from 1 to 8 µg L−1 beer and the recoveries of analytes were in range from 86 to 124%. Copyright © 2010 John Wiley & Sons, Ltd.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Analysis of multiple mycotoxins in beer employing (ultra)-high resolution mass spectrometry.\n \n \n \n \n\n\n \n Zachariasova, M.; Cajka, T.; Godula, M.; Malachova, A.; Veprikova, Z.; and Hajslova, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24: 3357–3367. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zachariasova_analysis_2010,\n\ttitle = {Analysis of multiple mycotoxins in beer employing (ultra)-high resolution mass spectrometry},\n\tvolume = {24},\n\turl = {internal-pdf://RCM_2010_24_3357-3367-0370679584/RCM_2010_24_3357-3367.pdf},\n\tdoi = {10.1002/rcm.4746},\n\tabstract = {The objective of the presented study was to develop and optimize a simple, high-throughput method for the control of 32 mycotoxins (Fusarium and Alternaria toxins, aflatoxins, ergot alkaloids, ochratoxins, and sterigmatocystin) in beer. Due to the broad range of their physicochemical properties, the sample preparation step was simplified as much as possible to avoid analyte losses. The addition of acetonitrile to beer samples enabled precipitation of abundant matrix components. The clean-up efficiency was controlled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source. For determination of analytes, ultra-high-performance liquid chromatography hyphenated with high-resolution mass spectrometry utilizing an orbitrap (U-HPLC-orbitrapMS) or time-of-flight (TOFMS) technology was used. Because of significantly better detection capabilities of the orbitrap technology, the U-HPLC-orbitrapMS method was chosen as a determinative step and fully validated. To compensate matrix effects, matrix-matched calibration was employed. The lowest calibration levels for most of the target mycotoxins ranged from 1 to 8 ?g L?1 beer and the recoveries of analytes were in range from 86 to 124\\%.},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Zachariasova, M. and Cajka, T. and Godula, M. and Malachova, A. and Veprikova, Z. and Hajslova, J.},\n\tyear = {2010},\n\tkeywords = {Orbitrap},\n\tpages = {3357--3367},\n}\n\n\n\n
\n
\n\n\n
\n The objective of the presented study was to develop and optimize a simple, high-throughput method for the control of 32 mycotoxins (Fusarium and Alternaria toxins, aflatoxins, ergot alkaloids, ochratoxins, and sterigmatocystin) in beer. Due to the broad range of their physicochemical properties, the sample preparation step was simplified as much as possible to avoid analyte losses. The addition of acetonitrile to beer samples enabled precipitation of abundant matrix components. The clean-up efficiency was controlled by ambient mass spectrometry employing a direct analysis in real time (DART) ion source. For determination of analytes, ultra-high-performance liquid chromatography hyphenated with high-resolution mass spectrometry utilizing an orbitrap (U-HPLC-orbitrapMS) or time-of-flight (TOFMS) technology was used. Because of significantly better detection capabilities of the orbitrap technology, the U-HPLC-orbitrapMS method was chosen as a determinative step and fully validated. To compensate matrix effects, matrix-matched calibration was employed. The lowest calibration levels for most of the target mycotoxins ranged from 1 to 8 ?g L?1 beer and the recoveries of analytes were in range from 86 to 124%.\n
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\n \n\n \n \n \n \n \n A Rapid Technique for the Confirmation of Iodine and Red Phosphorus Using Direct Analysis in Real Time and Accurate Mass Spectrometry.\n \n \n \n\n\n \n Steiner, R. R\n\n\n \n\n\n\n Microgram J, 7(1): 3–6. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{steiner_rapid_2010,\n\ttitle = {A {Rapid} {Technique} for the {Confirmation} of {Iodine} and {Red} {Phosphorus} {Using} {Direct} {Analysis} in {Real} {Time} and {Accurate} {Mass} {Spectrometry}},\n\tvolume = {7},\n\tabstract = {Iodine and red phosphorus are chemicals commonly seen in clandestine methamphetamine laboratories. Current analytical methods used for the confirmation of these chemicals include FTIR and GC/MS, usually after a derivatization or reaction with other compounds. X-ray diffraction and scanning electron microscope-energy dispersive x-ray analysis are also used to confirm these chemicals, but all of these techniques tend to be time-consuming or produce poisonous products. A novel technique, using the JEOL-IonSense AccuTOF-DART system, has been developed which yields accurate mass spectra usually in less than ten minutes of analysis time, with no sample preparation.},\n\tnumber = {1},\n\tjournal = {Microgram J},\n\tauthor = {Steiner, Robert R},\n\tyear = {2010},\n\tpages = {3–6},\n}\n\n\n\n
\n
\n\n\n
\n Iodine and red phosphorus are chemicals commonly seen in clandestine methamphetamine laboratories. Current analytical methods used for the confirmation of these chemicals include FTIR and GC/MS, usually after a derivatization or reaction with other compounds. X-ray diffraction and scanning electron microscope-energy dispersive x-ray analysis are also used to confirm these chemicals, but all of these techniques tend to be time-consuming or produce poisonous products. A novel technique, using the JEOL-IonSense AccuTOF-DART system, has been developed which yields accurate mass spectra usually in less than ten minutes of analysis time, with no sample preparation.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n Analysis of multiple mycotoxins in cereals under ambient conditions using direct analysis in real time (DART) ionization coupled to high resolution mass spectrometry.\n \n \n \n\n\n \n Vaclavik, L.; Zachariasova, M.; Hrbek, V.; and Hajslova, J.\n\n\n \n\n\n\n Talanta, 82(5): 1950–1957. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_analysis_2010,\n\ttitle = {Analysis of multiple mycotoxins in cereals under ambient conditions using direct analysis in real time ({DART}) ionization coupled to high resolution mass spectrometry},\n\tvolume = {82},\n\tabstract = {Direct analysis in real time (DART) ionization coupled to an (ultra)high resolution mass spectrometer based on orbitrap technology (orbitrapMS) was used for rapid quantitative analysis of multiple mycotoxins isolated from wheat and maize by modified QuEChERS procedure. After initial evaluation of ionization efficiencies for major groups of mycotoxins achievable with DART technology, sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of most intensively ionizing toxins (deoxynivalenol, nivalenol, zearalenon, actyldeoxynivalenol, deepoxy-deoxynivalenol, fusarenon-X, altenuene, alternariol, alternariolmethylether, diacetoxyscirpenol, sterigmatocystin). The lowest calibration levels (LCLs) estimated for the respective analytes ranged from 50 to 150 [mu]g kg-1. Quantitative analysis was performed either with the use of matrix-matched standards or by employing commercially available 13C-labeled internal standards (available for deoxynivalenol, nivalenol and zearalenon). Good recoveries (100-108\\%) and repeatabilities (RSD 5.4-6.9\\%) were obtained at spiking level 500 [mu]g kg-1 with isotope dilution technique. Based on matrix-matched calibration, recoveries and repeatabilities were in the range 84-118\\% and 7.9-12.0\\% (RSD), respectively. The trueness of data obtained for deoxynivalenol and zearalenon in wheat/maize by DART-orbitrapMS was demonstrated by analysis of certified reference materials (CRMs). Good agreement of these results with data generated by validated ultra-high pressure liquid chromatography-time-of-flight mass spectrometry method was documented.},\n\tnumber = {5},\n\tjournal = {Talanta},\n\tauthor = {Vaclavik, Lukas and Zachariasova, Milena and Hrbek, Vojtech and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Orbitrap},\n\tpages = {1950--1957},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) ionization coupled to an (ultra)high resolution mass spectrometer based on orbitrap technology (orbitrapMS) was used for rapid quantitative analysis of multiple mycotoxins isolated from wheat and maize by modified QuEChERS procedure. After initial evaluation of ionization efficiencies for major groups of mycotoxins achievable with DART technology, sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of most intensively ionizing toxins (deoxynivalenol, nivalenol, zearalenon, actyldeoxynivalenol, deepoxy-deoxynivalenol, fusarenon-X, altenuene, alternariol, alternariolmethylether, diacetoxyscirpenol, sterigmatocystin). The lowest calibration levels (LCLs) estimated for the respective analytes ranged from 50 to 150 [mu]g kg-1. Quantitative analysis was performed either with the use of matrix-matched standards or by employing commercially available 13C-labeled internal standards (available for deoxynivalenol, nivalenol and zearalenon). Good recoveries (100-108%) and repeatabilities (RSD 5.4-6.9%) were obtained at spiking level 500 [mu]g kg-1 with isotope dilution technique. Based on matrix-matched calibration, recoveries and repeatabilities were in the range 84-118% and 7.9-12.0% (RSD), respectively. The trueness of data obtained for deoxynivalenol and zearalenon in wheat/maize by DART-orbitrapMS was demonstrated by analysis of certified reference materials (CRMs). Good agreement of these results with data generated by validated ultra-high pressure liquid chromatography-time-of-flight mass spectrometry method was documented.\n
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\n \n\n \n \n \n \n \n \n Ambient Pressure Desorption Ionization Mass Spectrometry in Support of Preclinical Pharmaceutical Development.\n \n \n \n \n\n\n \n Helmy, R.; Schafer, W.; Buhler, L.; Marcinko, S.; Musselman, B.; Guidry, E.; Jenkins, H.; Fleitz, F.; and Welch, C. J.\n\n\n \n\n\n\n Organic Process Research & Development, 14(2): 386–392. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{helmy_ambient_2010,\n\ttitle = {Ambient {Pressure} {Desorption} {Ionization} {Mass} {Spectrometry} in {Support} of {Preclinical} {Pharmaceutical} {Development}},\n\tvolume = {14},\n\tissn = {1083-6160, 1520-586X},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/op9002938},\n\tdoi = {10.1021/op9002938},\n\tabstract = {The use of ambient pressure desorption ionization mass spectrometry for the rapid analytical support of process and pharmaceutical development is demonstrated. The ability of direct analysis in real time (DART) technology to analyze both active pharmaceutical ingredients (APIs) and intermediates without sample preparation or the development of LC-based separations provided critical experimental results with minimal time required for method development. The utility and versatility of DART is shown for applications such as degradation studies, analysis of high-throughput catalyst screens, preparative-scale chromatography fractions, and impurity determination.},\n\tnumber = {2},\n\tjournal = {Organic Process Research \\& Development},\n\tauthor = {Helmy, Roy and Schafer, Wes and Buhler, Leah and Marcinko, Stephen and Musselman, Brian and Guidry, Erin and Jenkins, Herb and Fleitz, Fred and Welch, Christopher J.},\n\tyear = {2010},\n\tkeywords = {LTQ, Thermo},\n\tpages = {386--392},\n}\n\n\n\n
\n
\n\n\n
\n The use of ambient pressure desorption ionization mass spectrometry for the rapid analytical support of process and pharmaceutical development is demonstrated. The ability of direct analysis in real time (DART) technology to analyze both active pharmaceutical ingredients (APIs) and intermediates without sample preparation or the development of LC-based separations provided critical experimental results with minimal time required for method development. The utility and versatility of DART is shown for applications such as degradation studies, analysis of high-throughput catalyst screens, preparative-scale chromatography fractions, and impurity determination.\n
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\n \n\n \n \n \n \n \n \n Comparison of the Internal Energy Deposition of Direct Analysis in Real Time and Electrospray Ionization Time-of-Flight Mass Spectrometry.\n \n \n \n \n\n\n \n Harris, G. A.; Hostetler, D. M.; Hampton, C.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(5): 855–863. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ComparisonPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{harris_comparison_2010,\n\ttitle = {Comparison of the {Internal} {Energy} {Deposition} of {Direct} {Analysis} in {Real} {Time} and {Electrospray} {Ionization} {Time}-of-{Flight} {Mass} {Spectrometry}},\n\tvolume = {21},\n\turl = {internal-pdf://JASMS_2010_21_855-863-0466209311/JASMS_2010_21_855-863.pdf},\n\tdoi = {10.1016/j.jasms.2010.01.019},\n\tabstract = {The internal energy (Eint) distributions of a series of p-substituted benzylpyridinium ions generated by both direct analysis in real time (DART) and electrospray ionization (ESI) were compared using the “survival yield” method. DART mean Eint values at gas flow rates of 2, 4, and 6 L min−1, and at set temperatures of 175, 250, and 325 °C were in the 1.92–2.21 eV range. ESI mean Eint at identical temperatures in aqueous and 50\\% methanol solutions ranged between 1.71 and 1.96 eV, and 1.53 and 1.63 eV, respectively. Although the results indicated that ESI is a “softer” ionization technique than DART, there was overlap between the two techniques for the particular time-of-flight mass spectrometer used. As a whole, there was an increase in Eint with increasing reactive and drying gas temperatures for DART and ESI, respectively, indicating thermal ion activation. Three dimensional computational fluid dynamic simulations in combination with direct temperature measurements within the DART ionization region revealed complex inversely coupled fluid-thermal phenomena affecting ion Eint values during atmospheric transport. Primarily, that DART gas temperature in the ionization region was appreciably less than the set gas temperature of DART due to the set gas flow rates. There was no evidence of Eint deposition pathways from metastable-stimulated desorption, but fragmentation induced by high-energy helium metastables was observed at the highest gas flow rates and temperatures.},\n\tnumber = {5},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Harris, G. A. and Hostetler, D. M. and Hampton, C.Y. and Fernández, F. M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {855--863},\n}\n\n\n\n
\n
\n\n\n
\n The internal energy (Eint) distributions of a series of p-substituted benzylpyridinium ions generated by both direct analysis in real time (DART) and electrospray ionization (ESI) were compared using the “survival yield” method. DART mean Eint values at gas flow rates of 2, 4, and 6 L min−1, and at set temperatures of 175, 250, and 325 °C were in the 1.92–2.21 eV range. ESI mean Eint at identical temperatures in aqueous and 50% methanol solutions ranged between 1.71 and 1.96 eV, and 1.53 and 1.63 eV, respectively. Although the results indicated that ESI is a “softer” ionization technique than DART, there was overlap between the two techniques for the particular time-of-flight mass spectrometer used. As a whole, there was an increase in Eint with increasing reactive and drying gas temperatures for DART and ESI, respectively, indicating thermal ion activation. Three dimensional computational fluid dynamic simulations in combination with direct temperature measurements within the DART ionization region revealed complex inversely coupled fluid-thermal phenomena affecting ion Eint values during atmospheric transport. Primarily, that DART gas temperature in the ionization region was appreciably less than the set gas temperature of DART due to the set gas flow rates. There was no evidence of Eint deposition pathways from metastable-stimulated desorption, but fragmentation induced by high-energy helium metastables was observed at the highest gas flow rates and temperatures.\n
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\n \n\n \n \n \n \n \n \n Determination of organic UV filters in water by stir bar sorptive extraction and direct analysis in real-time mass spectrometry.\n \n \n \n \n\n\n \n Haunschmidt, M.; Klampfl, C.; Buchberger, W.; and Hertsens, R.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 397(1): 269–275. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_determination_2010,\n\ttitle = {Determination of organic {UV} filters in water by stir bar sorptive extraction and direct analysis in real-time mass spectrometry},\n\tvolume = {397},\n\turl = {internal-pdf://Anal_Bioanal_Chem_2010_397_269-275-0315249439/Anal_Bioanal_Chem_2010_397_269-275.pdf},\n\tdoi = {10.1007/s00216-009-3438-9},\n\tabstract = {A screening method for analyzing environmental waters contaminated with UV filters using direct analysis in real-time mass spectrometry (DART-MS) was developed. To demonstrate the suitability of DART-MS a test set of seven organic UV filters, namely benzophenone-3 (BP-3), ethylhexyl dimethyl p-aminobenzoate (OD-PABA), 4-t-butyl-4′-methoxydibenzoylmethane (BM-DBM), homomethyl salicylate (HMS), 2-(ethylhexyl) salicylate (EHS), octocrylene (OC), and 4-methylbenzylidene camphor (4-MBC), was defined. In the first step, standard solutions of the analytes prepared in methanol were investigated in order to determine optimum parameters for the DART-MS. Because of the very low concentrations of UV filters expected in environmental water samples, a pre-concentration step using stir bar sorptive extraction was performed. DART-MS allows the direct, simple and rapid semi-quantitative analysis of the analytes enriched on the surface of the polydimethylsiloxane-coated stir bars. The optimized method provided calibration curves with correlation coefficients R{\\textbackslash}textgreater0.959, repeatability from 5\\% (for 4-MBC) to 30\\% (for BM-DBM) relative standard deviation and limits of detection lower than 40 ng L−1 for all analytes. Finally, real lake water samples from locations with typical leisure activities were analyzed. Results obtained with the developed DART-MS method were cross-checked by confirmatory analysis using thermodesorption gas chromatography mass spectrometry (TD-GC-MS). Thereby, it could be demonstrated that both analytical methods provide comparable concentrations for the UV filters in the lake water samples.},\n\tnumber = {1},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Haunschmidt, Manuela and Klampfl, Christian and Buchberger, Wolfgang and Hertsens, Robert},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {269--275},\n}\n\n\n\n
\n
\n\n\n
\n A screening method for analyzing environmental waters contaminated with UV filters using direct analysis in real-time mass spectrometry (DART-MS) was developed. To demonstrate the suitability of DART-MS a test set of seven organic UV filters, namely benzophenone-3 (BP-3), ethylhexyl dimethyl p-aminobenzoate (OD-PABA), 4-t-butyl-4′-methoxydibenzoylmethane (BM-DBM), homomethyl salicylate (HMS), 2-(ethylhexyl) salicylate (EHS), octocrylene (OC), and 4-methylbenzylidene camphor (4-MBC), was defined. In the first step, standard solutions of the analytes prepared in methanol were investigated in order to determine optimum parameters for the DART-MS. Because of the very low concentrations of UV filters expected in environmental water samples, a pre-concentration step using stir bar sorptive extraction was performed. DART-MS allows the direct, simple and rapid semi-quantitative analysis of the analytes enriched on the surface of the polydimethylsiloxane-coated stir bars. The optimized method provided calibration curves with correlation coefficients R\\textgreater0.959, repeatability from 5% (for 4-MBC) to 30% (for BM-DBM) relative standard deviation and limits of detection lower than 40 ng L−1 for all analytes. Finally, real lake water samples from locations with typical leisure activities were analyzed. Results obtained with the developed DART-MS method were cross-checked by confirmatory analysis using thermodesorption gas chromatography mass spectrometry (TD-GC-MS). Thereby, it could be demonstrated that both analytical methods provide comparable concentrations for the UV filters in the lake water samples.\n
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\n \n\n \n \n \n \n \n \n The use of DART mass spectrometry for express confirmation of empirical formulas of heterocyclic compounds.\n \n \n \n \n\n\n \n Chernetsova, E.; Ovcharov, M.; Khomyakov, Y. Y.; Bochkov, P.; and Varlamov, A.\n\n\n \n\n\n\n Russian Chemical Bulletin, 59(10): 2014–2015. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{chernetsova_use_2010,\n\ttitle = {The use of {DART} mass spectrometry for express confirmation of empirical formulas of heterocyclic compounds},\n\tvolume = {59},\n\turl = {internal-pdf://Russ_Chem_Bulletin_2010_59_2014-2015-0009160228/Russ_Chem_Bulletin_2010_59_2014-2015.pdf},\n\tabstract = {The results of studying the possibility of using DART spectrometry with a time-of-flight mass analyzer to confirm the elemental composition of heterocyclic compounds are presented. The method makes it possible to rapidly determine the molecular weight and to calculate the empirical formula of organic synthesis product.},\n\tnumber = {10},\n\tjournal = {Russian Chemical Bulletin},\n\tauthor = {Chernetsova, E.S. and Ovcharov, M.V. and Khomyakov, Yu. Yu. and Bochkov, P.O. and Varlamov, A.V.},\n\tyear = {2010},\n\tkeywords = {AccuTOF, DART, compounds;, heterocyclic, mass, spectrometry;},\n\tpages = {2014--2015},\n}\n\n\n\n
\n
\n\n\n
\n The results of studying the possibility of using DART spectrometry with a time-of-flight mass analyzer to confirm the elemental composition of heterocyclic compounds are presented. The method makes it possible to rapidly determine the molecular weight and to calculate the empirical formula of organic synthesis product.\n
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\n \n\n \n \n \n \n \n \n Optimization of a direct analysis in real time/time-of-flight mass spectrometry method for rapid serum metabolomic fingerprinting.\n \n \n \n \n\n\n \n Zhou, M.; McDonald, J. F.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(1): 68–75. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhou_optimization_2010,\n\ttitle = {Optimization of a direct analysis in real time/time-of-flight mass spectrometry method for rapid serum metabolomic fingerprinting},\n\tvolume = {21},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://www.springerlink.com/index/10.1016/j.jasms.2009.09.004},\n\tdoi = {10.1016/j.jasms.2009.09.004},\n\tabstract = {Metabolomic fingerprinting of bodily fluids can reveal the underlying causes of metabolic disorders associated with many diseases, and has thus been recognized as a potential tool for disease diagnosis and prognosis following therapy. Here we report a rapid approach in which direct analysis in real time (DART) coupled with time-of-flight (TOF) mass spectrometry (MS) and hybrid quadrupole TOF (Q-TOF) MS is used as a means for metabolomic fingerprinting of human serum. In this approach, serum samples are first treated to precipitate proteins, and the volatility of the remaining metabolites increased by derivatization, followed by DART MS analysis. Maximum DART MS performance was obtained by optimizing instrumental parameters such as ionizing gas temperature and flow rate for the analysis of identical aliquots of a healthy human serum samples. These variables were observed to have a significant effect on the overall mass range of the metabolites detected as well as the signal-to-noise ratios in DART mass spectra. Each DART run requires only 1.2 min, during which more than 1500 different spectral features are observed in a time-dependent fashion. A repeatability of 4.1\\% to 4.5\\% was obtained for the total ion signal using a manual sampling arm. With the appealing features of high-throughput, lack of memory effects, and simplicity, DART MS has shown potential to become an invaluable tool for metabolomic fingerprinting.},\n\tnumber = {1},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Zhou, Manshui and McDonald, John F. and Fernández, Facundo M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {68--75},\n}\n\n\n\n
\n
\n\n\n
\n Metabolomic fingerprinting of bodily fluids can reveal the underlying causes of metabolic disorders associated with many diseases, and has thus been recognized as a potential tool for disease diagnosis and prognosis following therapy. Here we report a rapid approach in which direct analysis in real time (DART) coupled with time-of-flight (TOF) mass spectrometry (MS) and hybrid quadrupole TOF (Q-TOF) MS is used as a means for metabolomic fingerprinting of human serum. In this approach, serum samples are first treated to precipitate proteins, and the volatility of the remaining metabolites increased by derivatization, followed by DART MS analysis. Maximum DART MS performance was obtained by optimizing instrumental parameters such as ionizing gas temperature and flow rate for the analysis of identical aliquots of a healthy human serum samples. These variables were observed to have a significant effect on the overall mass range of the metabolites detected as well as the signal-to-noise ratios in DART mass spectra. Each DART run requires only 1.2 min, during which more than 1500 different spectral features are observed in a time-dependent fashion. A repeatability of 4.1% to 4.5% was obtained for the total ion signal using a manual sampling arm. With the appealing features of high-throughput, lack of memory effects, and simplicity, DART MS has shown potential to become an invaluable tool for metabolomic fingerprinting.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry: a fast screening of solid pharmaceuticals for the presence of an active ingredient, as an alternative for IR spectroscopy.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Bochkov, P. O.; Ovcharov, M. V.; Zhokhov, S. S.; and Abramovich, R. A.\n\n\n \n\n\n\n Drug Testing and Analysis, 2(6): 292–294. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_dart_2010,\n\ttitle = {{DART} mass spectrometry: a fast screening of solid pharmaceuticals for the presence of an active ingredient, as an alternative for {IR} spectroscopy},\n\tvolume = {2},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.136},\n\tdoi = {10.1002/dta.136},\n\tabstract = {The application of DART as a choice analytical tool for rapid analysis of counterfeit pharmaceuticals is discussed. DART technology shows considerable promise for rapid, ‘investigator friendly’ studies of ingredients contained within pharmaceuticals. Its user friendly approach renders it as an attractive, rapid, labour saving tool in comparison to its traditional IR counterpart.},\n\tnumber = {6},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Chernetsova, Elena S. and Bochkov, Pavel O. and Ovcharov, Maxim V. and Zhokhov, Sergey S. and Abramovich, Rimma A.},\n\tyear = {2010},\n\tpages = {292--294},\n}\n\n\n\n
\n
\n\n\n
\n The application of DART as a choice analytical tool for rapid analysis of counterfeit pharmaceuticals is discussed. DART technology shows considerable promise for rapid, ‘investigator friendly’ studies of ingredients contained within pharmaceuticals. Its user friendly approach renders it as an attractive, rapid, labour saving tool in comparison to its traditional IR counterpart.\n
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\n \n\n \n \n \n \n \n \n Allium chemistry: Use of new instrumental techniques to “see” reactive organosulfur species formed upon crushing garlic and onion.\n \n \n \n \n\n\n \n Block, E.; Cody, R.; Dane, A.; Sheridan, R.; Vattekkatte, A.; and Wang, K.\n\n\n \n\n\n\n Pure and Applied Chemistry, 82(3): 535–539. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AlliumPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{block_allium_2010,\n\ttitle = {Allium chemistry: {Use} of new instrumental techniques to “see” reactive organosulfur species formed upon crushing garlic and onion},\n\tvolume = {82},\n\turl = {internal-pdf://Pure_Appl_Chem_2010_82_535–539-2562669343/Pure_Appl_Chem_2010_82_535–539.pdf},\n\tdoi = {10.1351/PAC-CON-09-08-12},\n\tabstract = {Three different instrumental methods have been used to examine the organosulfur chemistry of intact and cut garlic and onions: X-ray fluorescence spectroscopic imaging (XFS), direct analysis in real time (DART) mass spec-trometry, and ultra-performance liquid chromatography-(Ag+)-coordination ion spray mass spectrometry (UPLC–(Ag+)CIS–MS). The first technique has been used to map the location of different chemical forms of sulfur in intact and damaged onion cells, the second technique, to identify the reactive, volatile sulfur compounds formed on cutting the plants, and the third technique, to identify members of families of polysulfides found in the distilled oil of garlic.},\n\tnumber = {3},\n\tjournal = {Pure and Applied Chemistry},\n\tauthor = {Block, E. and Cody, R.B. and Dane, A.J. and Sheridan, R. and Vattekkatte, A. and Wang, K.},\n\tyear = {2010},\n\tkeywords = {AccuTOF, direct analysis in real time; garlic; mass spectrometry; onion; sulfur compounds; ultra-performance liquid chromatography; X-ray fluorescence spectroscopy},\n\tpages = {535--539},\n}\n\n\n\n
\n
\n\n\n
\n Three different instrumental methods have been used to examine the organosulfur chemistry of intact and cut garlic and onions: X-ray fluorescence spectroscopic imaging (XFS), direct analysis in real time (DART) mass spec-trometry, and ultra-performance liquid chromatography-(Ag+)-coordination ion spray mass spectrometry (UPLC–(Ag+)CIS–MS). The first technique has been used to map the location of different chemical forms of sulfur in intact and damaged onion cells, the second technique, to identify the reactive, volatile sulfur compounds formed on cutting the plants, and the third technique, to identify members of families of polysulfides found in the distilled oil of garlic.\n
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\n \n\n \n \n \n \n \n Profiling of Piper betle Linn. cultivars by direct analysis in real time mass spectrometric technique.\n \n \n \n\n\n \n Bajpai, V.; Sharma, D.; Kumar, B.; and Madhusudanan, K. P.\n\n\n \n\n\n\n Biomedical Chromatography, 24(12): 1283–1286. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{bajpai_profiling_2010,\n\ttitle = {Profiling of {Piper} betle {Linn}. cultivars by direct analysis in real time mass spectrometric technique},\n\tvolume = {24},\n\tdoi = {10.1002/bmc.1437},\n\tabstract = {Piper betle Linn. is a traditional plant associated with the Asian and southeast Asian cultures. Its use is also recorded in folk medicines in these regions. Several of its medicinal properties have recently been proven. Phytochemical analysis showed the presence of mainly terpenes and phenols in betel leaves. These constituents vary in the different cultivars of Piper betle. In this paper we have attempted to profile eight locally available betel cultivars using the recently developed mass spectral ionization technique of direct analysis in real time (DART). Principal component analysis has also been employed to analyze the DART MS data of these betel cultivars. The results show that the cultivars of Piper betle could be differentiated using DART MS data.},\n\tnumber = {12},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Bajpai, Vikas and Sharma, Deepty and Kumar, Brijesh and Madhusudanan, K. P.},\n\tyear = {2010},\n\tkeywords = {AccuTOF, DARTMS;, L;, PCA;, Piper, betle, cultivars;, profiling;},\n\tpages = {1283--1286},\n}\n\n\n\n
\n
\n\n\n
\n Piper betle Linn. is a traditional plant associated with the Asian and southeast Asian cultures. Its use is also recorded in folk medicines in these regions. Several of its medicinal properties have recently been proven. Phytochemical analysis showed the presence of mainly terpenes and phenols in betel leaves. These constituents vary in the different cultivars of Piper betle. In this paper we have attempted to profile eight locally available betel cultivars using the recently developed mass spectral ionization technique of direct analysis in real time (DART). Principal component analysis has also been employed to analyze the DART MS data of these betel cultivars. The results show that the cultivars of Piper betle could be differentiated using DART MS data.\n
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\n \n\n \n \n \n \n \n An ultra superfast identification of low-molecular components of pharmaceuticals by DART mass spectrometry.\n \n \n \n\n\n \n Chernetsova, E.; Bochkov, P.; Ovcharov, M.; Zatonskii, G.; and Abramovich, R.\n\n\n \n\n\n\n Journal of Analytical Chemistry, 65(14): 1537–1539. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{chernetsova_ultra_2010,\n\ttitle = {An ultra superfast identification of low-molecular components of pharmaceuticals by {DART} mass spectrometry},\n\tvolume = {65},\n\tnumber = {14},\n\tjournal = {Journal of Analytical Chemistry},\n\tauthor = {Chernetsova, E.S. and Bochkov, P.O. and Ovcharov, M.V. and Zatonskii, G.V. and Abramovich, R.A.},\n\tyear = {2010},\n\tkeywords = {AccuTOF, DART;},\n\tpages = {1537--1539},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time Ion Source.\n \n \n \n \n\n\n \n Cody, R. B.; and Dane, A. J.\n\n\n \n\n\n\n In Meyers, R. A., editor(s), Encyclopedia of Analytical Chemistry. John Wiley & Sons, Ltd., Published online: December 15, 2010.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@incollection{cody_direct_2010,\n\taddress = {Published online: December 15},\n\ttitle = {Direct {Analysis} in {Real} {Time} {Ion} {Source}},\n\tisbn = {978-0-470-02731-8},\n\turl = {internal-pdf://EAC_DART_Chapter_2011-1489387551/EAC_DART_Chapter_2011.pdf},\n\tabstract = {Direct Analysis in Real Time (DARTTM) refers to an atmospheric-pressure “open-air” ion source that is based on the interaction of long-lived (“metastable”) excited-state neutral atoms or molecules with analytes and atmospheric gases. The DART source is used for the rapid analysis of liquids, solids, vapors, or materials on surfaces in open air with little or no sample preparation.},\n\tbooktitle = {Encyclopedia of {Analytical} {Chemistry}},\n\tpublisher = {John Wiley \\& Sons, Ltd.},\n\tauthor = {Cody, Robert B. and Dane, A. John},\n\teditor = {Meyers, Robert A.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DARTTM) refers to an atmospheric-pressure “open-air” ion source that is based on the interaction of long-lived (“metastable”) excited-state neutral atoms or molecules with analytes and atmospheric gases. The DART source is used for the rapid analysis of liquids, solids, vapors, or materials on surfaces in open air with little or no sample preparation.\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time (DART) Mass Spectrometry of Nucleotides and Nucleosides: Elucidation of a Novel Fragment [C5H5O]+ and Its In-Source Adducts.\n \n \n \n \n\n\n \n Curtis, M. E.; Minier, M. A.; Chitranshi, P.; Sparkman, O. D.; Jones, P. R.; and Xue, L.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(8): 1371–1381. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{curtis_direct_2010,\n\ttitle = {Direct {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry} of {Nucleotides} and {Nucleosides}: {Elucidation} of a {Novel} {Fragment} [{C5H5O}]+ and {Its} {In}-{Source} {Adducts}},\n\tvolume = {21},\n\turl = {internal-pdf://JASMS_2010_21_1371-1381-3603343391/JASMS_2010_21_1371-1381.pdf},\n\tdoi = {10.1016/j.jasms.2010.03.046},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry is a recently developed innovative technology, which has shown broad applications for fast and convenient analysis of complex samples. Due to the ease of sample preparation, we have recently initiated an investigation of the feasibility of detecting nucleotides and nucleosides using the DART-AccuTOF instrument, which we will refer to as the DART mass spectrometer. Our experimental results reveal that the ions representing the intact molecules of nucleotides are not detectable in either positive-ion or negative-ion mode. Instead, all four natural nucleotides fragment in the DART ion source, and a common fragment ion, [C5H5O]+ (1), is observed, which is probably formed via multiple- elimination reactions. Interestingly, 1 can form adducts with nucleobases in different molar ratios in the DART ion source. In contrast to nucleotides, the ions representing the intact molecules of nucleosides are detected in both positive-ion and negative-ion mode using DART mass spectrometry. Surprisingly, the fragmentation pattern of nucleosides is different from that of nucleotides in the DART ion source. In the cases of nucleosides (under positive-ion conditions), the production of 1 is not observed, indicating that the phosphate group plays an important role for the multiple eliminations observed in the spectra of nucleotides. The in-source reactions described in the present work show the complexity of the conditions in the DART ion source, and we hope that our results illustrate a better understanding about DART mass spectrometry.},\n\tnumber = {8},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Curtis, M. E. and Minier, M. A. and Chitranshi, P. and Sparkman, O. D. and Jones, P. R. and Xue, L.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1371--1381},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) mass spectrometry is a recently developed innovative technology, which has shown broad applications for fast and convenient analysis of complex samples. Due to the ease of sample preparation, we have recently initiated an investigation of the feasibility of detecting nucleotides and nucleosides using the DART-AccuTOF instrument, which we will refer to as the DART mass spectrometer. Our experimental results reveal that the ions representing the intact molecules of nucleotides are not detectable in either positive-ion or negative-ion mode. Instead, all four natural nucleotides fragment in the DART ion source, and a common fragment ion, [C5H5O]+ (1), is observed, which is probably formed via multiple- elimination reactions. Interestingly, 1 can form adducts with nucleobases in different molar ratios in the DART ion source. In contrast to nucleotides, the ions representing the intact molecules of nucleosides are detected in both positive-ion and negative-ion mode using DART mass spectrometry. Surprisingly, the fragmentation pattern of nucleosides is different from that of nucleotides in the DART ion source. In the cases of nucleosides (under positive-ion conditions), the production of 1 is not observed, indicating that the phosphate group plays an important role for the multiple eliminations observed in the spectra of nucleotides. The in-source reactions described in the present work show the complexity of the conditions in the DART ion source, and we hope that our results illustrate a better understanding about DART mass spectrometry.\n
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\n \n\n \n \n \n \n \n \n The coupling of direct analysis in real time ionization to Fourier transform ion cyclotron resonance mass spectrometry for ultrahigh-resolution mass analysis.\n \n \n \n \n\n\n \n Rummel, J.; McKenna, A.; Marshall, A.; Eyler, J.; and Powell, D.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(6): 784–790. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{rummel_coupling_2010,\n\ttitle = {The coupling of direct analysis in real time ionization to {Fourier} transform ion cyclotron resonance mass spectrometry for ultrahigh-resolution mass analysis},\n\tvolume = {24},\n\turl = {internal-pdf://RCM_2010_24_784–790-0667877407/RCM_2010_24_784–790.pdf},\n\tdoi = {10.1002/rcm.4450},\n\tabstract = {Direct Analysis in Real Time (DART) is an ambient ionization technique for mass spectrometry that provides rapid and sensitive analyses with little or no sample preparation. DART has been reported primarily for mass analyzers of low to moderate resolving power such as quadrupole ion traps and time-of-flight (TOF) mass spectrometers. In the current work, a custom-built DART source has been successfully coupled to two different Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers for the first time. Comparison of spectra of the isobaric compounds, diisopropyl methylphosphonate and theophylline, acquired by 4.7 T FT-ICR MS and TOF MS, demonstrates that the TOF resolving power can be insufficient for compositionally complex samples. 9.4 T FT-ICR MS yielded the highest mass resolving power yet reported with DART ionization for 1,2-benzanthracene and 9,10-diphenylanthracene. Polycyclic aromatic hydrocarbons exhibit a spatial dependence in ionization mechanisms between the DART source and the mass spectrometer. The feasibility of analyzing a variety of samples was established with the introduction and analysis of food products and crude oil samples. DART FT-ICR MS provides complex sample analysis that is rapid, highly selective and information-rich, but limited to relatively low-mass analytes.},\n\tnumber = {6},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rummel, J.L. and McKenna, A.M. and Marshall, A.G. and Eyler, J.R. and Powell, D.H.},\n\tyear = {2010},\n\tkeywords = {FT-ICR},\n\tpages = {784--790},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART) is an ambient ionization technique for mass spectrometry that provides rapid and sensitive analyses with little or no sample preparation. DART has been reported primarily for mass analyzers of low to moderate resolving power such as quadrupole ion traps and time-of-flight (TOF) mass spectrometers. In the current work, a custom-built DART source has been successfully coupled to two different Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers for the first time. Comparison of spectra of the isobaric compounds, diisopropyl methylphosphonate and theophylline, acquired by 4.7 T FT-ICR MS and TOF MS, demonstrates that the TOF resolving power can be insufficient for compositionally complex samples. 9.4 T FT-ICR MS yielded the highest mass resolving power yet reported with DART ionization for 1,2-benzanthracene and 9,10-diphenylanthracene. Polycyclic aromatic hydrocarbons exhibit a spatial dependence in ionization mechanisms between the DART source and the mass spectrometer. The feasibility of analyzing a variety of samples was established with the introduction and analysis of food products and crude oil samples. DART FT-ICR MS provides complex sample analysis that is rapid, highly selective and information-rich, but limited to relatively low-mass analytes.\n
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\n \n\n \n \n \n \n \n \n Bambusae Caulis in Taeniam extract reduces ovalbumin-induced airway inflammation and T helper 2 responses in mice.\n \n \n \n \n\n\n \n Ra, J.; Lee, S.; Kim, H.; Jang, Y.; Ahn, H.; and Kim, J.\n\n\n \n\n\n\n Journal of Ethnopharmacology, 128(1): 241–247. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"BambusaePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{ra_bambusae_2010,\n\ttitle = {Bambusae {Caulis} in {Taeniam} extract reduces ovalbumin-induced airway inflammation and {T} helper 2 responses in mice},\n\tvolume = {128},\n\turl = {http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6T8D-4Y5BMD1-B&_user=10&_coverDate=03%2F02%2F2010&_rdoc=1&_fmt=high&_orig=search&_sort=d&_docanchor=&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=4d40845f392128c88900870785447421},\n\tdoi = {10.1016/j.jep.2010.01.023},\n\tabstract = {Ethnopharmacological relevance Bambusae Caulis in Taeniam (BC) was known as traditional herbal medicine with anti-inflammatory property in the Orient. Aim of the study Allergic asthma is inflammatory disease of airways associated with enhanced T helper (Th) 2 lymphocytes responses to allergens, leading to eosinophilic infiltration and elevated serum IgE levels. Although there were some studies that BC extract had an anti-inflammatory property, there was no study on asthma. In present study, we investigated the suitability of BC extract as a therapeutic candidate in the treatment of allergic airway disease in ovalbumin-induced asthma model. Materials and methods Balb/C mice (female, 6 weeks old) were treated by ovalbumin sensitization and nebulization, and used as asthma model. The number of eosinophil in bronchoalveolar lavage (BAL) fluid and the degree of eosinophila were investigated by hematoxylin and eosin stain and the infiltration of inflammatory cells into lung tissues was examined by staining by hematoxylin and eosin solution. The levels of interleukin (IL)-4 in BAL fluid, immunoglobulin E (IgE) in serum, interferon (IFN)-γ and IL-4 production in splenocyte culture from Balb/C mice (not treated, 6 weeks old) that incubated with or without BC extract for 48 h were determined by enzyme-linked immunosorbent assay. Results The level of eosinophils was decreased by treatment of the animals with BC extract (40 mg/kg) and correspondingly, a significantly lowered degree of eosinophila was also reported (p {\\textbackslash}textless 0.01). In lung tissue, BC extract reduced the increased immune cell infiltration induced by OVA (p {\\textbackslash}textless 0.05). Furthermore, the levels of IL-4 and IgE in BAL fluid or serum up-regulated by OVA was decreased by BC extract. Finally, IFN-γ production was significantly increased (p {\\textbackslash}textless 0.01), while IL-4 production significantly decreased (p {\\textbackslash}textless 0.01), after treatment of the culture supernatants of splenocytes with BC extract. Conclusions These results indicated that BC extract reduces OVA-induced airway inflammation and Th 2 response in mice, suggesting that BC extract can be a therapeutic candidate for allergic airway disease, including asthma.},\n\tnumber = {1},\n\tjournal = {Journal of Ethnopharmacology},\n\tauthor = {Ra, J. and Lee, S. and Kim, H.J. and Jang, Y.P. and Ahn, H. and Kim, J.},\n\tyear = {2010},\n\tkeywords = {AccuTOF, Airway, Bambusae, Caulis, Herbal, Taeniam;, in, inflammation;, medicine;},\n\tpages = {241--247},\n}\n\n\n\n
\n
\n\n\n
\n Ethnopharmacological relevance Bambusae Caulis in Taeniam (BC) was known as traditional herbal medicine with anti-inflammatory property in the Orient. Aim of the study Allergic asthma is inflammatory disease of airways associated with enhanced T helper (Th) 2 lymphocytes responses to allergens, leading to eosinophilic infiltration and elevated serum IgE levels. Although there were some studies that BC extract had an anti-inflammatory property, there was no study on asthma. In present study, we investigated the suitability of BC extract as a therapeutic candidate in the treatment of allergic airway disease in ovalbumin-induced asthma model. Materials and methods Balb/C mice (female, 6 weeks old) were treated by ovalbumin sensitization and nebulization, and used as asthma model. The number of eosinophil in bronchoalveolar lavage (BAL) fluid and the degree of eosinophila were investigated by hematoxylin and eosin stain and the infiltration of inflammatory cells into lung tissues was examined by staining by hematoxylin and eosin solution. The levels of interleukin (IL)-4 in BAL fluid, immunoglobulin E (IgE) in serum, interferon (IFN)-γ and IL-4 production in splenocyte culture from Balb/C mice (not treated, 6 weeks old) that incubated with or without BC extract for 48 h were determined by enzyme-linked immunosorbent assay. Results The level of eosinophils was decreased by treatment of the animals with BC extract (40 mg/kg) and correspondingly, a significantly lowered degree of eosinophila was also reported (p \\textless 0.01). In lung tissue, BC extract reduced the increased immune cell infiltration induced by OVA (p \\textless 0.05). Furthermore, the levels of IL-4 and IgE in BAL fluid or serum up-regulated by OVA was decreased by BC extract. Finally, IFN-γ production was significantly increased (p \\textless 0.01), while IL-4 production significantly decreased (p \\textless 0.01), after treatment of the culture supernatants of splenocytes with BC extract. Conclusions These results indicated that BC extract reduces OVA-induced airway inflammation and Th 2 response in mice, suggesting that BC extract can be a therapeutic candidate for allergic airway disease, including asthma.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of stabilisers in polypropylene using time-of-flight mass spectrometry and DART as ion source.\n \n \n \n \n\n\n \n Haunschmidt, M.; Klampfl, C. W.; Buchberger, W.; and Hertsens, R.\n\n\n \n\n\n\n The Analyst, 135(1): 80. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_rapid_2010,\n\ttitle = {Rapid identification of stabilisers in polypropylene using time-of-flight mass spectrometry and {DART} as ion source},\n\tvolume = {135},\n\tissn = {0003-2654, 1364-5528},\n\turl = {http://xlink.rsc.org/?DOI=b911040b},\n\tdoi = {10.1039/b911040b},\n\tabstract = {A method for analysing plastic samples without any sample pretreatment using direct analysis in real time mass spectrometry (DART-MS) was developed. DART-MS allows the direct, simple and rapid identification of polymer additives in plastic products. To demonstrate the suitability of DART-MS for the detection of a wide range of commonly employed stabilising agents, a test set of 21 stabilisers was selected. In a first step standard solutions of these stabilisers in toluene as well as toluene-extracts from polymer samples were analysed. Subsequently, to prove the applicability of the developed DART-MS method also for the direct analysis of plastic products, samples of polypropylene containing a range of stabilisers were prepared using a lab-scale compounder. Polymer samples were cut into 0.5 cm wide pieces and directly placed into the DART ion source. Focusing on the DART ionisation, several parameters like discharge needle potential, potential of the grid electrode and the discharge electrode, the heater temperature and the gas flow had to be varied to guarantee optimum results. Both positive and negative ionisation was tested, whereby the positive ion mode led to higher signal intensities for all analytes. Determination of accurate masses to improve the certainty in signal assignment could be achieved by using PEG 600 as an internal standard for mass calibration. The developed method allowed the detection of all selected additives (including some of their degradation products) in real polymer samples.},\n\tnumber = {1},\n\tjournal = {The Analyst},\n\tauthor = {Haunschmidt, Manuela and Klampfl, Christian W. and Buchberger, Wolfgang and Hertsens, Robert},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {80},\n}\n\n\n\n
\n
\n\n\n
\n A method for analysing plastic samples without any sample pretreatment using direct analysis in real time mass spectrometry (DART-MS) was developed. DART-MS allows the direct, simple and rapid identification of polymer additives in plastic products. To demonstrate the suitability of DART-MS for the detection of a wide range of commonly employed stabilising agents, a test set of 21 stabilisers was selected. In a first step standard solutions of these stabilisers in toluene as well as toluene-extracts from polymer samples were analysed. Subsequently, to prove the applicability of the developed DART-MS method also for the direct analysis of plastic products, samples of polypropylene containing a range of stabilisers were prepared using a lab-scale compounder. Polymer samples were cut into 0.5 cm wide pieces and directly placed into the DART ion source. Focusing on the DART ionisation, several parameters like discharge needle potential, potential of the grid electrode and the discharge electrode, the heater temperature and the gas flow had to be varied to guarantee optimum results. Both positive and negative ionisation was tested, whereby the positive ion mode led to higher signal intensities for all analytes. Determination of accurate masses to improve the certainty in signal assignment could be achieved by using PEG 600 as an internal standard for mass calibration. The developed method allowed the detection of all selected additives (including some of their degradation products) in real polymer samples.\n
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\n \n\n \n \n \n \n \n \n Routine analysis and characterization of highly insoluble polycyclic aromatic compounds by direct analysis in real time mass spectrometry (DART).\n \n \n \n \n\n\n \n Domin, M.; Steinberg, B.; Quimby, J.; Smith, N.; Greene, A.; and Scott, L.\n\n\n \n\n\n\n Analyst, 135(4): 700–704. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RoutinePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{domin_routine_2010,\n\ttitle = {Routine analysis and characterization of highly insoluble polycyclic aromatic compounds by direct analysis in real time mass spectrometry ({DART})},\n\tvolume = {135},\n\turl = {internal-pdf://Analyst_2010_135_700-704-0365446943/Analyst_2010_135_700-704.pdf},\n\tdoi = {10.1039/b923300h},\n\tabstract = {Direct Analysis in Real Time (DART), is used for the first time for the routine rapid analysis of highly insoluble polycyclic aromatic compounds. Direct analysis of such compounds as solid samples under solvent-free conditions shows that DART is a powerful analytical platform capable of providing high-throughput analysis for these complex samples, requiring no special sample pre-treatment or instrument setup.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Domin, M.A. and Steinberg, B.D. and Quimby, J.M. and Smith, N.J. and Greene, A.K. and Scott, L.T.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {700--704},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART), is used for the first time for the routine rapid analysis of highly insoluble polycyclic aromatic compounds. Direct analysis of such compounds as solid samples under solvent-free conditions shows that DART is a powerful analytical platform capable of providing high-throughput analysis for these complex samples, requiring no special sample pre-treatment or instrument setup.\n
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\n \n\n \n \n \n \n \n Identification of Glycyrrhiza species by direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Fukuda, E.; Baba, M.; Iwasaki, N.; Uesawa, Y.; Arifuku, K.; Kamoe, O.; Tsubono, K.; and Okada, Y.\n\n\n \n\n\n\n Natural product communications, 5(11): 1755–1758. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{fukuda_identification_2010,\n\ttitle = {Identification of {Glycyrrhiza} species by direct analysis in real time mass spectrometry.},\n\tvolume = {5},\n\tabstract = {DART (Direct Analysis in Real Time)-MS is a novel mass spectrometric ion source, and allows the analysis of most compounds at ambient pressure and ground potential by producing [M+H]+ molecular ion species. Using this method, we examined the compounds characteristic of several kinds of licorices. For the analysis of Glycyrrhiza inflata Batalin, the peak at m/z 339 originates mainly from [M+H]+ of licochalcone A (LA), a species-specific compound. This peak was hardly detected in G. glabra Linné and G. uralensis Fischer. These results indicate that G. inflata can be differentiated from the other two species by detection of LA peaks using DART-MS analysis.},\n\tnumber = {11},\n\tjournal = {Natural product communications},\n\tauthor = {Fukuda, Eriko and Baba, Masaki and Iwasaki, Noriaki and Uesawa, Yoshihiro and Arifuku, Kazunori and Kamoe, Osamu and Tsubono, Koji and Okada, Yoshihito},\n\tyear = {2010},\n\tpages = {1755--1758},\n}\n\n\n\n
\n
\n\n\n
\n DART (Direct Analysis in Real Time)-MS is a novel mass spectrometric ion source, and allows the analysis of most compounds at ambient pressure and ground potential by producing [M+H]+ molecular ion species. Using this method, we examined the compounds characteristic of several kinds of licorices. For the analysis of Glycyrrhiza inflata Batalin, the peak at m/z 339 originates mainly from [M+H]+ of licochalcone A (LA), a species-specific compound. This peak was hardly detected in G. glabra Linné and G. uralensis Fischer. These results indicate that G. inflata can be differentiated from the other two species by detection of LA peaks using DART-MS analysis.\n
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\n \n\n \n \n \n \n \n \n Rapid determination of melamine and cyanuric acid in milk powder using direct analysis in real time-time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Vaclavik, L.; Rosmus, J.; Popping, B.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1217(25): 4204–4211. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{vaclavik_rapid_2010,\n\ttitle = {Rapid determination of melamine and cyanuric acid in milk powder using direct analysis in real time-time-of-flight mass spectrometry},\n\tvolume = {1217},\n\turl = {http://dx.doi.org/10.1016/j.chroma.2010.03.014},\n\tabstract = {The use of fast semi-automated method employing direct analysis in real time (DART) ion source coupled to time-of-flight mass spectrometry (TOFMS) for analysis of melamine (MEL) and cyanuric acid (CYA) in milk powder and milk based products has been demonstrated in this study. Simple sample extraction procedure employing methanol–5\\% aqueous formic acid mixture, which enabled disruption of melamine–cyanurate complex, was followed by direct, high-throughput (30 s per run) examination of sample extracts spread on a glass rod by mass spectrometry under ambient conditions, without any prior chromatographic separation. After optimization of instrument parameter settings, limits of detection (LODs) 170 and 450 μg kg−1 were achieved for MEL and CYA, respectively. In the final phase of study, the possibility of minimizing spectral interference, thus improving method performance characteristics through the use of ultrahigh resolving power offered by Orbitrap based mass analyzer is demonstrated.},\n\tnumber = {25},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Vaclavik, Lukas and Rosmus, Jan and Popping, Bert and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {(DART);, AccuTOF;, Cyanuric, Direct, Melamine;, Milk, Orbitrap, Time-of-flight, acid;, analysis, in, mass, powder;, real, spectrometry, spectrometry;, time},\n\tpages = {4204--4211},\n}\n\n\n\n
\n
\n\n\n
\n The use of fast semi-automated method employing direct analysis in real time (DART) ion source coupled to time-of-flight mass spectrometry (TOFMS) for analysis of melamine (MEL) and cyanuric acid (CYA) in milk powder and milk based products has been demonstrated in this study. Simple sample extraction procedure employing methanol–5% aqueous formic acid mixture, which enabled disruption of melamine–cyanurate complex, was followed by direct, high-throughput (30 s per run) examination of sample extracts spread on a glass rod by mass spectrometry under ambient conditions, without any prior chromatographic separation. After optimization of instrument parameter settings, limits of detection (LODs) 170 and 450 μg kg−1 were achieved for MEL and CYA, respectively. In the final phase of study, the possibility of minimizing spectral interference, thus improving method performance characteristics through the use of ultrahigh resolving power offered by Orbitrap based mass analyzer is demonstrated.\n
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\n \n\n \n \n \n \n \n \n Explosives Detection Using Direct Analysis in Real Time (DART) Mass Spectrometry.\n \n \n \n \n\n\n \n Nilles, J. M.; Connell, T. R.; Stokes, S. T.; and Dupont Durst, H.\n\n\n \n\n\n\n Propellants, Explosives, Pyrotechnics, 35(5): 446–451. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ExplosivesPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nilles_explosives_2010,\n\ttitle = {Explosives {Detection} {Using} {Direct} {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry}},\n\tvolume = {35},\n\tissn = {07213115},\n\turl = {http://doi.wiley.com/10.1002/prep.200900084},\n\tdoi = {10.1002/prep.200900084},\n\tabstract = {The growing use of explosives by terrorists and criminals creates a need for instrumentation which can rapidly analyze these energetic compounds, preferably on site. Direct analysis in real time (DART) is a promising technology for surface analysis with little or no sample preparation. Therefore, DART ionization is evaluated for use in detecting explosives on solid substrates and in liquid matrices. Fifteen explosives were chosen as a consequence of their common usage. Five surfaces were chosen to represent a wide range of physical properties such as composition, porosity, surface morphology, and thermal and electrical conductivity. Additionally these surfaces are commonly found in everyday surroundings. All 75 compound-surface combinations produced a clear, easily identifiable, mass spectra characteristic of the targeted analyte. Simultaneous detection of five explosives is demonstrated on these same surfaces. Lastly, rapid detection of trace contamination in common fluids is also explored.},\n\tnumber = {5},\n\tjournal = {Propellants, Explosives, Pyrotechnics},\n\tauthor = {Nilles, J. Michael and Connell, Theresa R. and Stokes, Sarah T. and Dupont Durst, H.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {446--451},\n}\n\n\n\n
\n
\n\n\n
\n The growing use of explosives by terrorists and criminals creates a need for instrumentation which can rapidly analyze these energetic compounds, preferably on site. Direct analysis in real time (DART) is a promising technology for surface analysis with little or no sample preparation. Therefore, DART ionization is evaluated for use in detecting explosives on solid substrates and in liquid matrices. Fifteen explosives were chosen as a consequence of their common usage. Five surfaces were chosen to represent a wide range of physical properties such as composition, porosity, surface morphology, and thermal and electrical conductivity. Additionally these surfaces are commonly found in everyday surroundings. All 75 compound-surface combinations produced a clear, easily identifiable, mass spectra characteristic of the targeted analyte. Simultaneous detection of five explosives is demonstrated on these same surfaces. Lastly, rapid detection of trace contamination in common fluids is also explored.\n
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\n \n\n \n \n \n \n \n \n Applications of Direct Analysis in Real Time Mass Spectrometry (DART-MS) in Allium Chemistry. 2-Propenesulfenic and 2-Propenesulfinic Acids, Diallyl Trisulfane S-Oxide, and Other Reactive Sulfur Compounds from Crushed Garlic and Other Alliums.\n \n \n \n \n\n\n \n Block, E.; Dane, A.; Thomas, S.; and Cody, R.\n\n\n \n\n\n\n Journal of Agricultural and Food Chemistry, 58(8): 4617–4625. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{block_applications_2010,\n\ttitle = {Applications of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) in {Allium} {Chemistry}. 2-{Propenesulfenic} and 2-{Propenesulfinic} {Acids}, {Diallyl} {Trisulfane} {S}-{Oxide}, and {Other} {Reactive} {Sulfur} {Compounds} from {Crushed} {Garlic} and {Other} {Alliums}},\n\tvolume = {58},\n\turl = {internal-pdf://J_Agric_Food_Chem_2010_58_4617–4625-1186969119/J_Agric_Food_Chem_2010_58_4617–4625.pdf},\n\tdoi = {10.1021/jf1000106},\n\tabstract = {Through the use of direct analysis in real time mass spectrometry (DART-MS), 2-propenesulfenic acid, an intermediate long postulated as being formed when garlic (Allium sativum) is crushed, has been detected for the first time and determined by mass spectrometric methods to have a half-life of {\\textbackslash}textless1 s at room temperature. Two other key intermediates, 2-propenesulfinic acid and diallyl trisulfane S-oxide, have also been detected for the first time in volatiles from crushed garlic, along with allicin and related thiosulfinates, allyl alcohol, sulfur dioxide, propene, and pyruvate as coproducts. A commercial dietary supplement containing garlic powder, which was sampled after crushing, was found to contain alliin, methiin, and S-allylcysteine and produced allicin upon addition of water. DART-MS detection of 1-butenesulfenic acid from the ornamental A. siculum is also reported. (Z)-Propanethial S-oxide (onion lachrymatory factor), absent in garlic, is found to be formed from crushed elephant garlic (Allium ampeloprasum), consistent with the classification of this plant as a closer relative of leek than of garlic. Mixtures of thiosulfinates, lachrymatory thial S-oxides, and related compounds are directly observed from crushed leek (Allium porrum) and Chinese chive (Allium tuberosum). Disulfanes and polysulfanes are detected only when the Allium samples are heated, consistent with earlier conclusions that these are not primary products from cut or crushed alliums.},\n\tnumber = {8},\n\tjournal = {Journal of Agricultural and Food Chemistry},\n\tauthor = {Block, E. and Dane, A.J. and Thomas, S. and Cody, R.B.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {4617--4625},\n}\n\n\n\n
\n
\n\n\n
\n Through the use of direct analysis in real time mass spectrometry (DART-MS), 2-propenesulfenic acid, an intermediate long postulated as being formed when garlic (Allium sativum) is crushed, has been detected for the first time and determined by mass spectrometric methods to have a half-life of \\textless1 s at room temperature. Two other key intermediates, 2-propenesulfinic acid and diallyl trisulfane S-oxide, have also been detected for the first time in volatiles from crushed garlic, along with allicin and related thiosulfinates, allyl alcohol, sulfur dioxide, propene, and pyruvate as coproducts. A commercial dietary supplement containing garlic powder, which was sampled after crushing, was found to contain alliin, methiin, and S-allylcysteine and produced allicin upon addition of water. DART-MS detection of 1-butenesulfenic acid from the ornamental A. siculum is also reported. (Z)-Propanethial S-oxide (onion lachrymatory factor), absent in garlic, is found to be formed from crushed elephant garlic (Allium ampeloprasum), consistent with the classification of this plant as a closer relative of leek than of garlic. Mixtures of thiosulfinates, lachrymatory thial S-oxides, and related compounds are directly observed from crushed leek (Allium porrum) and Chinese chive (Allium tuberosum). Disulfanes and polysulfanes are detected only when the Allium samples are heated, consistent with earlier conclusions that these are not primary products from cut or crushed alliums.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of additives in poly(vinyl chloride) lid gaskets by direct analysis in real time ionisation and single-quadrupole mass spectrometry.\n \n \n \n \n\n\n \n Rothenbacher, T.; and Schwack, W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(1): 21–29. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{rothenbacher_rapid_2010,\n\ttitle = {Rapid identification of additives in poly(vinyl chloride) lid gaskets by direct analysis in real time ionisation and single-quadrupole mass spectrometry},\n\tvolume = {24},\n\tissn = {1097-0231},\n\turl = {internal-pdf://RCM_2010_24_21–29-1724819999/RCM_2010_24_21–29.pdf},\n\tdoi = {10.1002/rcm.4350},\n\tabstract = {Gaskets for lids of glass jars usually consist of poly(vinyl chloride) (PVC) containing plasticisers and additional additives, which may migrate into packed foodstuffs. To conform to legal regulations, any such migration has to be determined analytically, which is a big challenge due to the huge chemical variety of additives in use. Therefore, a rapid screening method by means of direct analysis in real time mass spectrometry (DART-MS), using a single-quadrupole mass spectrometer, was developed. On introducing a plastisol sample into the DART interface, protonated molecules and ammonium adducts were obtained as the typical ionisation products of any additives present, and cleavages of ester bonds as typical fragmentation processes. Generally, additives present in the 1\\% range could be directly and easily identified if ion suppressive effects deriving from specific molecules did not occur. These effects could be avoided by analysing toluene extracts of plastisol samples, and this also improved the sensivity. Using this method, it was possible to identify phthalates, fatty acid amides, tributyl O-acetylcitrate, dibutyl sebacate, bis(2-ethylhexyl) adipate, 1,2-diisononyl 1,2-cyclohexanedicarboxylate, and even more complex additives like acetylated mono- and diacylglycerides, epoxidised soybean oil, and polyadipates, with a limit of detection of 1\\% in PVC plastisols. Only in the case of epoxidised linseed oil were levels of 5\\% required for identification. The detection of azodicarbonamide, used as a foaming agent within the manufacturing process, was possible in principle, but was not highly reproducible due to the very low concentrations in plastisols.},\n\tnumber = {1},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rothenbacher, Thorsten and Schwack, Wolfgang},\n\tyear = {2010},\n\tkeywords = {Agilent, Quad},\n\tpages = {21--29},\n}\n\n\n\n
\n
\n\n\n
\n Gaskets for lids of glass jars usually consist of poly(vinyl chloride) (PVC) containing plasticisers and additional additives, which may migrate into packed foodstuffs. To conform to legal regulations, any such migration has to be determined analytically, which is a big challenge due to the huge chemical variety of additives in use. Therefore, a rapid screening method by means of direct analysis in real time mass spectrometry (DART-MS), using a single-quadrupole mass spectrometer, was developed. On introducing a plastisol sample into the DART interface, protonated molecules and ammonium adducts were obtained as the typical ionisation products of any additives present, and cleavages of ester bonds as typical fragmentation processes. Generally, additives present in the 1% range could be directly and easily identified if ion suppressive effects deriving from specific molecules did not occur. These effects could be avoided by analysing toluene extracts of plastisol samples, and this also improved the sensivity. Using this method, it was possible to identify phthalates, fatty acid amides, tributyl O-acetylcitrate, dibutyl sebacate, bis(2-ethylhexyl) adipate, 1,2-diisononyl 1,2-cyclohexanedicarboxylate, and even more complex additives like acetylated mono- and diacylglycerides, epoxidised soybean oil, and polyadipates, with a limit of detection of 1% in PVC plastisols. Only in the case of epoxidised linseed oil were levels of 5% required for identification. The detection of azodicarbonamide, used as a foaming agent within the manufacturing process, was possible in principle, but was not highly reproducible due to the very low concentrations in plastisols.\n
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\n \n\n \n \n \n \n \n \n Ricin Activity Assay by Direct Analysis in Real Time Mass Spectrometry Detection of Adenine Release.\n \n \n \n \n\n\n \n Bevilacqua, V. L. H.; Nilles, J. M.; Rice, J. S.; Connell, T. R.; Schenning, A. M.; Reilly, L. M.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 82(3): 798–800. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RicinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{bevilacqua_ricin_2010,\n\ttitle = {Ricin {Activity} {Assay} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} {Detection} of {Adenine} {Release}},\n\tvolume = {82},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac9025972},\n\tdoi = {10.1021/ac9025972},\n\tabstract = {Biotoxin activity assays typically involve multistep sample preparation, multicomponent reactions, multistep analysis, or a combination thereof. We report a single-step, real-time ricin activity assay that requires little or no sample preparation and employs direct analysis in real time mass spectrometry. The release of adenine from the inhomogeneous substrate herring sperm DNA by ricin was determined to be 53 ± 2 pmol adenine per picomole of ricin per hour. This procedure can be readily adapted to any enzyme for which a reactant or product of low molecular weight (up to ∼600) can be identified.},\n\tnumber = {3},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Bevilacqua, Vicky L. H. and Nilles, J. Michael and Rice, Jeffrey S. and Connell, Theresa R. and Schenning, Amanda M. and Reilly, Lisa M. and Durst, H. Dupont},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {798--800},\n}\n\n\n\n
\n
\n\n\n
\n Biotoxin activity assays typically involve multistep sample preparation, multicomponent reactions, multistep analysis, or a combination thereof. We report a single-step, real-time ricin activity assay that requires little or no sample preparation and employs direct analysis in real time mass spectrometry. The release of adenine from the inhomogeneous substrate herring sperm DNA by ricin was determined to be 53 ± 2 pmol adenine per picomole of ricin per hour. This procedure can be readily adapted to any enzyme for which a reactant or product of low molecular weight (up to ∼600) can be identified.\n
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\n \n\n \n \n \n \n \n \n Recognition of beer brand based on multivariate analysis of volatile fingerprint.\n \n \n \n \n\n\n \n Cajka, T.; Riddellova, K.; Tomaniova, M.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1217(25): 4195–4203. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RecognitionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{cajka_recognition_2010,\n\ttitle = {Recognition of beer brand based on multivariate analysis of volatile fingerprint},\n\tvolume = {1217},\n\turl = {internal-pdf://J_Chrom_A_2010_1217_4195–4203-3123380000/J_Chrom_A_2010_1217_4195–4203.pdf},\n\tdoi = {10.1016/j.chroma.2009.12.049},\n\tabstract = {Automated head-space solid-phase microextraction (HS-SPME)-based sampling procedure, coupled to gas chromatography-time-of-flight mass spectrometry (GC-TOFMS), was developed and employed for obtaining of fingerprints (GC profiles) of beer volatiles. In total, 265 speciality beer samples were collected over a 1-year period with the aim to distinguish, based on analytical (profiling) data, (i) the beers labelled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. For the chemometric evaluation of the data, partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) were tested. The best prediction ability was obtained for the model that distinguished a group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided 100\\% correct classification. Slightly worse prediction abilities were achieved for the models "Trappist vs. non-Trappist beers" with the values of 93.9\\% (PLS-DA), 91.9\\% (LDA) and 97.0\\% (ANN-MLP) and "Rochefort 8 vs. the rest" with the values of 87.9\\% (PLS-DA) and 84.8\\% (LDA) and 93.9\\% (ANN-MLP). In addition to chromatographic profiling, also the potential of direct coupling of SPME (extraction/pre-concentration device) with high-resolution TOFMS employing a direct analysis in real time (DART) ion source has been demonstrated as a challenging profiling approach.},\n\tnumber = {25},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Cajka, T. and Riddellova, K. and Tomaniova, M. and Hajslova, J.},\n\tyear = {2010},\n\tkeywords = {AccuTOF, DART;},\n\tpages = {4195--4203},\n}\n\n\n\n
\n
\n\n\n
\n Automated head-space solid-phase microextraction (HS-SPME)-based sampling procedure, coupled to gas chromatography-time-of-flight mass spectrometry (GC-TOFMS), was developed and employed for obtaining of fingerprints (GC profiles) of beer volatiles. In total, 265 speciality beer samples were collected over a 1-year period with the aim to distinguish, based on analytical (profiling) data, (i) the beers labelled as Rochefort 8; (ii) a group consisting of Rochefort 6, 8, 10 beers; and (iii) Trappist beers. For the chemometric evaluation of the data, partial least squares discriminant analysis (PLS-DA), linear discriminant analysis (LDA), and artificial neural networks with multilayer perceptrons (ANN-MLP) were tested. The best prediction ability was obtained for the model that distinguished a group of Rochefort 6, 8, 10 beers from the rest of beers. In this case, all chemometric tools employed provided 100% correct classification. Slightly worse prediction abilities were achieved for the models \"Trappist vs. non-Trappist beers\" with the values of 93.9% (PLS-DA), 91.9% (LDA) and 97.0% (ANN-MLP) and \"Rochefort 8 vs. the rest\" with the values of 87.9% (PLS-DA) and 84.8% (LDA) and 93.9% (ANN-MLP). In addition to chromatographic profiling, also the potential of direct coupling of SPME (extraction/pre-concentration device) with high-resolution TOFMS employing a direct analysis in real time (DART) ion source has been demonstrated as a challenging profiling approach.\n
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\n \n\n \n \n \n \n \n \n Release kinetics of actives from chewing gums into saliva monitored by direct analysis in real time mass spectrometry.\n \n \n \n \n\n\n \n Jeckelmann, N.; and Haefliger, O.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 24(8): 1165–1171. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ReleasePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{jeckelmann_release_2010,\n\ttitle = {Release kinetics of actives from chewing gums into saliva monitored by direct analysis in real time mass spectrometry},\n\tvolume = {24},\n\turl = {internal-pdf://RCM_2010_24_1165–1171-3788204319/RCM_2010_24_1165–1171.pdf},\n\tdoi = {10.1002/rcm.4500},\n\tabstract = {Direct analysis in real time mass spectrometry (DART-MS) was used to monitor the release kinetics of a taste-refreshing compound from chewing gums into the saliva of subjects. A new DART-MS sample probe was designed which was about four times more sensitive than the current benchmark probe. This decreased the impact of the dilution of the saliva samples that was required to minimize ion suppression effects and make quantitative analyses without an internal standard possible. The new probe was also about three times more reproducible, which allowed quantitative measurements to be conducted manually without requiring the enhanced precision provided by an automatic sample positioner. The accuracy of analyses performed by DART-MS was verified by comparing the results obtained from saliva samples analyzed both by DART-MS and by a more classical liquid chromatography/mass spectrometry (LC/MS) method. This investigation showed good agreement between the two techniques. DART-MS could then be used to objectively demonstrate the efficiency of a granular carbohydrate-based delivery system to boost for a few minutes the release of a lipophilic flavor raw material with a high octanol/water partition coefficient, cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl) (WS-3), from chewing gum into saliva.},\n\tnumber = {8},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Jeckelmann, N. and Haefliger, O.P.},\n\tyear = {2010},\n\tkeywords = {Applied, Biosystems, QTrap},\n\tpages = {1165--1171},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time mass spectrometry (DART-MS) was used to monitor the release kinetics of a taste-refreshing compound from chewing gums into the saliva of subjects. A new DART-MS sample probe was designed which was about four times more sensitive than the current benchmark probe. This decreased the impact of the dilution of the saliva samples that was required to minimize ion suppression effects and make quantitative analyses without an internal standard possible. The new probe was also about three times more reproducible, which allowed quantitative measurements to be conducted manually without requiring the enhanced precision provided by an automatic sample positioner. The accuracy of analyses performed by DART-MS was verified by comparing the results obtained from saliva samples analyzed both by DART-MS and by a more classical liquid chromatography/mass spectrometry (LC/MS) method. This investigation showed good agreement between the two techniques. DART-MS could then be used to objectively demonstrate the efficiency of a granular carbohydrate-based delivery system to boost for a few minutes the release of a lipophilic flavor raw material with a high octanol/water partition coefficient, cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl) (WS-3), from chewing gum into saliva.\n
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\n \n\n \n \n \n \n \n \n Molecular Analysis of Primary Vapor and Char Products during Stepwise Pyrolysis of Poplar Biomass.\n \n \n \n \n\n\n \n Jones, R. W.; Reinot, T.; and McClelland, J. F.\n\n\n \n\n\n\n Energy & Fuels, 24(9): 5199–5209. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"MolecularPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{jones_molecular_2010,\n\ttitle = {Molecular {Analysis} of {Primary} {Vapor} and {Char} {Products} during {Stepwise} {Pyrolysis} of {Poplar} {Biomass}},\n\tvolume = {24},\n\turl = {internal-pdf://Energy_Fuels_2010_24_5199–5209-4208130335/Energy_Fuels_2010_24_5199–5209.pdf},\n\tdoi = {10.1021/ef100655n},\n\tabstract = {Pyrolysis of biomass produces both pyrolysis oil and solid char. In this study, poplar has been pyrolyzed in a stepwise fashion over a series of temperatures from 200 to 500 °C, and both the primary products contributing to pyrolysis oil and the changes in the pyrolyzing poplar surface leading toward char have been characterized at each step. The primary products were identified by direct analysis in real time (DART) mass spectrometry, and the changes in the poplar surface were monitored using Fourier transform infrared (FTIR) photoacoustic spectroscopy, with a sampling depth of a few micrometers. The primary products from pyrolyzing cellulose, xylan, and lignin under similar conditions were also characterized to identify the sources of the poplar products.},\n\tnumber = {9},\n\tjournal = {Energy \\& Fuels},\n\tauthor = {Jones, Roger W. and Reinot, Tonu and McClelland, John F.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {5199--5209},\n}\n\n\n\n
\n
\n\n\n
\n Pyrolysis of biomass produces both pyrolysis oil and solid char. In this study, poplar has been pyrolyzed in a stepwise fashion over a series of temperatures from 200 to 500 °C, and both the primary products contributing to pyrolysis oil and the changes in the pyrolyzing poplar surface leading toward char have been characterized at each step. The primary products were identified by direct analysis in real time (DART) mass spectrometry, and the changes in the poplar surface were monitored using Fourier transform infrared (FTIR) photoacoustic spectroscopy, with a sampling depth of a few micrometers. The primary products from pyrolyzing cellulose, xylan, and lignin under similar conditions were also characterized to identify the sources of the poplar products.\n
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\n \n\n \n \n \n \n \n \n Applications of Direct Analysis in Real Time Mass Spectrometry (DART-MS) in Allium Chemistry. (Z)-Butanethial S-Oxide and 1-Butenyl Thiosulfinates and Their S-(E)-1-Butenylcysteine S-Oxide Precursor from Allium siculum.\n \n \n \n \n\n\n \n Kubec, R.; Cody, R.; Dane, A.; Musah, R.; Schraml, J.; Vattekkatte, A.; and Block, E.\n\n\n \n\n\n\n Journal of Agricultural and Food Chemistry, 58(2): 1121–1128. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ApplicationsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kubec_applications_2010,\n\ttitle = {Applications of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} ({DART}-{MS}) in {Allium} {Chemistry}. ({Z})-{Butanethial} {S}-{Oxide} and 1-{Butenyl} {Thiosulfinates} and {Their} {S}-({E})-1-{Butenylcysteine} {S}-{Oxide} {Precursor} from {Allium} siculum},\n\tvolume = {58},\n\tissn = {0021-8561},\n\turl = {internal-pdf://J_Agric_Food_Chem_2010_58_1121–1128-0751608607/J_Agric_Food_Chem_2010_58_1121–1128.pdf},\n\tdoi = {10.1021/jf903733e},\n\tabstract = {Lachrymatory (Z)-butanethial S-oxide along with several 1-butenyl thiosulfinates was detected by DART mass spectrometry upon cutting Allium siculum, a popular ornamental Allium species used in some cultures as a spice. (Z)-Butanethial S-oxide isolated from the plant was shown to be identical to a synthetic sample. Its likely precursor, (RS,RC,E)-S-(1-butenyl)cysteine S-oxide (homoisoalliin), was isolated from homogenates of A. siculum, and a closely related species Allium tripedale, and fully characterized. Through use of LC-MS, a series of related γ-glutamyl derivatives were tentatively identified in A. siculum and A. tripedale homogenates, including γ-glutamyl-(E)-S-(1-butenyl)cysteine and its S-oxide, γ-glutamyl-S-butylcysteine and its S-oxide, and γ-glutamyl-S-methylcysteine and its S-oxide. Because compounds containing the 1-butenyl group have not been previously identified in genus Allium species, this work extends the range of known Allium sulfur compounds. The general applicability of DART mass spectrometry in identifying naturally occurring, thermally fragile thial S-oxides and thiosulfinates is illustrated with onion, Allium cepa, as well as a plant from a different genus, Petiveria alliacea.},\n\tnumber = {2},\n\tjournal = {Journal of Agricultural and Food Chemistry},\n\tauthor = {Kubec, R. and Cody, R.B. and Dane, A.J. and Musah, R.A. and Schraml, J. and Vattekkatte, A. and Block, E.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1121--1128},\n}\n\n\n\n
\n
\n\n\n
\n Lachrymatory (Z)-butanethial S-oxide along with several 1-butenyl thiosulfinates was detected by DART mass spectrometry upon cutting Allium siculum, a popular ornamental Allium species used in some cultures as a spice. (Z)-Butanethial S-oxide isolated from the plant was shown to be identical to a synthetic sample. Its likely precursor, (RS,RC,E)-S-(1-butenyl)cysteine S-oxide (homoisoalliin), was isolated from homogenates of A. siculum, and a closely related species Allium tripedale, and fully characterized. Through use of LC-MS, a series of related γ-glutamyl derivatives were tentatively identified in A. siculum and A. tripedale homogenates, including γ-glutamyl-(E)-S-(1-butenyl)cysteine and its S-oxide, γ-glutamyl-S-butylcysteine and its S-oxide, and γ-glutamyl-S-methylcysteine and its S-oxide. Because compounds containing the 1-butenyl group have not been previously identified in genus Allium species, this work extends the range of known Allium sulfur compounds. The general applicability of DART mass spectrometry in identifying naturally occurring, thermally fragile thial S-oxides and thiosulfinates is illustrated with onion, Allium cepa, as well as a plant from a different genus, Petiveria alliacea.\n
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\n \n\n \n \n \n \n \n \n Thermal separation to facilitate Direct Analysis in Real Time (DART) of mixtures.\n \n \n \n \n\n\n \n Nilles, J.; Connell, T.; and Durst, H.\n\n\n \n\n\n\n Analyst, 135(5): 883–886. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ThermalPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nilles_thermal_2010,\n\ttitle = {Thermal separation to facilitate {Direct} {Analysis} in {Real} {Time} ({DART}) of mixtures},\n\tvolume = {135},\n\turl = {internal-pdf://Analyst_2010_135_883-886-2915889951/Analyst_2010_135_883-886.pdf},\n\tdoi = {10.1039/c0an00036a},\n\tabstract = {We explore a thermal separation technique for use with Direct Analysis in Real Time (DART). By applying gas temperature ramping, we are able to disburse a mixture of compounds in time. The three components were selected to create a challenging mixture that would not likely be discerned solely using exact mass capabilities. While the thermal separation technique is of low resolution, it preserves the inherent rapid, non-contact, ambient characteristics of the ion source.},\n\tnumber = {5},\n\tjournal = {Analyst},\n\tauthor = {Nilles, J.M. and Connell, T.R. and Durst, H.D.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {883--886},\n}\n\n\n\n
\n
\n\n\n
\n We explore a thermal separation technique for use with Direct Analysis in Real Time (DART). By applying gas temperature ramping, we are able to disburse a mixture of compounds in time. The three components were selected to create a challenging mixture that would not likely be discerned solely using exact mass capabilities. While the thermal separation technique is of low resolution, it preserves the inherent rapid, non-contact, ambient characteristics of the ion source.\n
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\n \n\n \n \n \n \n \n Capabilities of direct analysis in real time mass spectrometry and gas chromatography-mass spectrometry in the mint oil test.\n \n \n \n\n\n \n Chernetsova, E. S.; Khomyakov, Y. Y.; Goryainov, S. V.; Ovcharov, M. V.; Bochkov, P. O.; Zatonsky, G. V.; Zhokhov, S. S.; and Abramovich, R. A.\n\n\n \n\n\n\n Mendeleev Communications, 20(5): 299–300. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{chernetsova_capabilities_2010,\n\ttitle = {Capabilities of direct analysis in real time mass spectrometry and gas chromatography-mass spectrometry in the mint oil test},\n\tvolume = {20},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry is compared to gas chromatography–mass spectrometry by the example of mint essential oil analysis.},\n\tnumber = {5},\n\tjournal = {Mendeleev Communications},\n\tauthor = {Chernetsova, Elena S. and Khomyakov, Yuri Yu. and Goryainov, Sergey V. and Ovcharov, Maxim V. and Bochkov, Pavel O. and Zatonsky, George V. and Zhokhov, Sergey S. and Abramovich, Rimma A.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {299--300},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) mass spectrometry is compared to gas chromatography–mass spectrometry by the example of mint essential oil analysis.\n
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\n \n\n \n \n \n \n \n \n Identification of marker compounds in herbal drugs on TLC with DART-MS.\n \n \n \n \n\n\n \n Kim, H. J.; Jee, E. H.; Ahn, K. S.; Choi, H. S.; and Jang, Y. P.\n\n\n \n\n\n\n Archives of Pharmacal Research, 33(9): 1355–1359. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_identification_2010,\n\ttitle = {Identification of marker compounds in herbal drugs on {TLC} with {DART}-{MS}},\n\tvolume = {33},\n\tissn = {0253-6269, 1976-3786},\n\turl = {http://www.springerlink.com/index/10.1007/s12272-010-0909-7},\n\tdoi = {10.1007/s12272-010-0909-7},\n\tabstract = {This study was conducted to provide a more versatile and specific information on Thin Layer Chromatographic (TLC) analysis of medicinal plants. TLC plates developed with the extract of herbal medicines were analyzed with direct analysis in real time (DART) ion source. Three well known herbal drugs were extracted and developed on a silica-coated TLC plate with the conditions pre-established in Korean Pharmacopoeia IX. The developed plate was placed between the DART ion source and TOF-MS analyzer to get real time mass spectra from the bands on the TLC plate directly. The marker coumarin compounds, decursin and decursinol were successfully identified from the TLC plate developed with Angelicae gigantis radix, along with alkaloid compounds of rutaecarpine and evodiamine from Evodiae fructus, and lignan molecules of gomisin A, N, and schisandrin from Schisandrae fructus. This hyphenation system of TLC and DART-MS could provide unique and specific information on the major constituents of crude plant drug on TLC through uncovering high resolution mass number of each band on the TLC plate directly in real time.},\n\tnumber = {9},\n\tjournal = {Archives of Pharmacal Research},\n\tauthor = {Kim, Hye Jin and Jee, Eun Hye and Ahn, Kwang Sung and Choi, Hyo Sook and Jang, Young Pyo},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1355--1359},\n}\n\n\n\n
\n
\n\n\n
\n This study was conducted to provide a more versatile and specific information on Thin Layer Chromatographic (TLC) analysis of medicinal plants. TLC plates developed with the extract of herbal medicines were analyzed with direct analysis in real time (DART) ion source. Three well known herbal drugs were extracted and developed on a silica-coated TLC plate with the conditions pre-established in Korean Pharmacopoeia IX. The developed plate was placed between the DART ion source and TOF-MS analyzer to get real time mass spectra from the bands on the TLC plate directly. The marker coumarin compounds, decursin and decursinol were successfully identified from the TLC plate developed with Angelicae gigantis radix, along with alkaloid compounds of rutaecarpine and evodiamine from Evodiae fructus, and lignan molecules of gomisin A, N, and schisandrin from Schisandrae fructus. This hyphenation system of TLC and DART-MS could provide unique and specific information on the major constituents of crude plant drug on TLC through uncovering high resolution mass number of each band on the TLC plate directly in real time.\n
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\n \n\n \n \n \n \n \n \n Rapid Mass Spectrometric Metabolic Profiling of Blood Sera Detects Ovarian Cancer with High Accuracy.\n \n \n \n \n\n\n \n Zhou, M.; Guan, W.; Walker, L. D.; Mezencev, R.; Benigno, B. B.; Gray, A.; Fernandez, F. M.; and McDonald, J. F.\n\n\n \n\n\n\n Cancer Epidemiology, Biomarkers & Prevention. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhou_rapid_2010,\n\ttitle = {Rapid {Mass} {Spectrometric} {Metabolic} {Profiling} of {Blood} {Sera} {Detects} {Ovarian} {Cancer} with {High} {Accuracy}},\n\turl = {http://cebp.aacrjournals.org/content/early/2010/08/05/1055-9965.EPI-10-0126.abstract},\n\tdoi = {10.1158/1055-9965.EPI-10-0126},\n\tabstract = {Background: Ovarian cancer diagnosis is problematic because the disease is typically asymptomatic, especially at the early stages of progression and/or recurrence. We report here the integration of a new mass spectrometric technology with a novel support vector machine computational method for use in cancer diagnostics, and describe the application of the method to ovarian cancer. Methods: We coupled a high-throughput ambient ionization technique for mass spectrometry (direct analysis in real-time mass spectrometry) to profile relative metabolite levels in sera from 44 women diagnosed with serous papillary ovarian cancer (stages I-IV) and 50 healthy women or women with benign conditions. The profiles were input to a customized functional support vector machine–based machine-learning algorithm for diagnostic classification. Performance was evaluated through a 64-30 split validation test and with a stringent series of leave-one-out cross-validations. Results: The assay distinguished between the cancer and control groups with an unprecedented 99\\% to 100\\% accuracy (100\\% sensitivity and 100\\% specificity by the 64-30 split validation test; 100\\% sensitivity and 98\\% specificity by leave-one-out cross-validations). Conclusion: The method has significant clinical potential as a cancer diagnostic tool. Because of the extremely low prevalence of ovarian cancer in the general population (∼0.04\\%), extensive prospective testing will be required to evaluate the test's potential utility in general screening applications. However, more immediate applications might be as a diagnostic tool in higher-risk groups or to monitor cancer recurrence after therapeutic treatment. Impact: The ability to accurately and inexpensively diagnose ovarian cancer will have a significant positive effect on ovarian cancer treatment and outcome.},\n\tjournal = {Cancer Epidemiology, Biomarkers \\& Prevention},\n\tauthor = {Zhou, M. and Guan, W. and Walker, L. D. and Mezencev, R. and Benigno, B. B. and Gray, A. and Fernandez, F. M. and McDonald, J. F.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
\n
\n\n\n
\n Background: Ovarian cancer diagnosis is problematic because the disease is typically asymptomatic, especially at the early stages of progression and/or recurrence. We report here the integration of a new mass spectrometric technology with a novel support vector machine computational method for use in cancer diagnostics, and describe the application of the method to ovarian cancer. Methods: We coupled a high-throughput ambient ionization technique for mass spectrometry (direct analysis in real-time mass spectrometry) to profile relative metabolite levels in sera from 44 women diagnosed with serous papillary ovarian cancer (stages I-IV) and 50 healthy women or women with benign conditions. The profiles were input to a customized functional support vector machine–based machine-learning algorithm for diagnostic classification. Performance was evaluated through a 64-30 split validation test and with a stringent series of leave-one-out cross-validations. Results: The assay distinguished between the cancer and control groups with an unprecedented 99% to 100% accuracy (100% sensitivity and 100% specificity by the 64-30 split validation test; 100% sensitivity and 98% specificity by leave-one-out cross-validations). Conclusion: The method has significant clinical potential as a cancer diagnostic tool. Because of the extremely low prevalence of ovarian cancer in the general population (∼0.04%), extensive prospective testing will be required to evaluate the test's potential utility in general screening applications. However, more immediate applications might be as a diagnostic tool in higher-risk groups or to monitor cancer recurrence after therapeutic treatment. Impact: The ability to accurately and inexpensively diagnose ovarian cancer will have a significant positive effect on ovarian cancer treatment and outcome.\n
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\n \n\n \n \n \n \n \n \n Investigations on the Coupling of High-Performance Liquid Chromatography to Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Eberherr, W.; Buchberger, W.; Hertsens, R.; and Klampfl, C.\n\n\n \n\n\n\n Analytical Chemistry, 82(13): 5792–5796. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"InvestigationsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{eberherr_investigations_2010,\n\ttitle = {Investigations on the {Coupling} of {High}-{Performance} {Liquid} {Chromatography} to {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {82},\n\turl = {internal-pdf://Anal_Chem_2010_82_5792-5796-1573432095/Anal_Chem_2010_82_5792-5796.pdf},\n\tdoi = {10.1021/ac1008496},\n\tabstract = {A novel hyphenated technique namely the combination of HPLC with direct analysis in real time (DART) mass spectrometry (MS) is presented. The coupling of HPLC to DART-MS was achieved by a simple interface design with a capillary end piece transferring the HPLC effluent to the ionization region of the DART. Flow rates (0.3−1.6 mL min−1) and inner diameters of the capillary (50−150 μm) were harmonized to provide a stable liquid jet. Ionization-related parameters optimized included positioning of the capillary end piece with respect to He outlet of the ionization source and the MS inlet, He heater temperature and He flow rate. Among DART-MS voltages, the grid electrode voltage proved to have the most pronounced effect on signal intensities. A major benefit of this setup is the possibility to employ (commonly not MS-compatible) HPLC eluents such as phosphate buffers up to a phosphate concentration of 120 mM even at typical HPLC flow rates such as 1 mL min−1 and above without negative side effects like contamination of the ion source or ion suppression. Experiments evaluating the correlation of signal intensity to mass-flow and concentration revealed that DART-MS can be seen as a mass flow sensitive detector. The usability of this hyphenated technique has been tested on the example of four parabenes (measured in the negative ion mode) as well as a set of pyrazine derivatives (measured in the positive ion mode). For the parabenes limits of detection (LOD) in the range of 20−55 μg L−1 and linear ranges from at least 200−10000 μg L−1 with correlation coefficients better than 0.997 were obtained.},\n\tnumber = {13},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Eberherr, W. and Buchberger, W. and Hertsens, R. and Klampfl, C.W.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {5792--5796},\n}\n\n\n\n
\n
\n\n\n
\n A novel hyphenated technique namely the combination of HPLC with direct analysis in real time (DART) mass spectrometry (MS) is presented. The coupling of HPLC to DART-MS was achieved by a simple interface design with a capillary end piece transferring the HPLC effluent to the ionization region of the DART. Flow rates (0.3−1.6 mL min−1) and inner diameters of the capillary (50−150 μm) were harmonized to provide a stable liquid jet. Ionization-related parameters optimized included positioning of the capillary end piece with respect to He outlet of the ionization source and the MS inlet, He heater temperature and He flow rate. Among DART-MS voltages, the grid electrode voltage proved to have the most pronounced effect on signal intensities. A major benefit of this setup is the possibility to employ (commonly not MS-compatible) HPLC eluents such as phosphate buffers up to a phosphate concentration of 120 mM even at typical HPLC flow rates such as 1 mL min−1 and above without negative side effects like contamination of the ion source or ion suppression. Experiments evaluating the correlation of signal intensity to mass-flow and concentration revealed that DART-MS can be seen as a mass flow sensitive detector. The usability of this hyphenated technique has been tested on the example of four parabenes (measured in the negative ion mode) as well as a set of pyrazine derivatives (measured in the positive ion mode). For the parabenes limits of detection (LOD) in the range of 20−55 μg L−1 and linear ranges from at least 200−10000 μg L−1 with correlation coefficients better than 0.997 were obtained.\n
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\n \n\n \n \n \n \n \n \n Transmission-mode direct analysis in real time and desorption electrospray ionization mass spectrometry of insecticide-treated bednets for malaria control.\n \n \n \n \n\n\n \n Pérez, J. J.; Harris, G. A.; Chipuk, J. E.; Brodbelt, J. S.; Green, M. D.; Hampton, C. Y.; and Fernández, F. M.\n\n\n \n\n\n\n Analyst, 135(4): 712–719. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"Transmission-modePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{parez_transmission-mode_2010,\n\ttitle = {Transmission-mode direct analysis in real time and desorption electrospray ionization mass spectrometry of insecticide-treated bednets for malaria control},\n\tvolume = {135},\n\turl = {internal-pdf://Analyst_2010_135_712-719-0718115615/Analyst_2010_135_712-719.pdf},\n\tdoi = {10.1039/b924533b},\n\tabstract = {Transmission-mode direct analysis in real time (TM-DART) is presented as an alternative sampling strategy to traditional methods of sample introduction for DART MS analysis. A custom-designed sample holder was fabricated to rapidly and reproducibly position insecticide-treated nets normal to the ionizing metastable gas stream, enabling transmission of desorbed analyte ions through the holder cavity and into the MS. Introduction of the sample at this fixed geometry eliminates the need for optimizing sample position and allows spectra based on factors such as metastable gas temperature and flow to be systematically evaluated. The results presented here, supported by computational fluid dynamic simulations, demonstrate the effects of these factors on the resulting mass spectra and the potential of this sampling strategy to be used for qualitative and quantitative analyses. Transmission-mode desorption electrospray ionization (TM-DESI) experiments on similar insecticide-treated nets were performed for comparison purposes.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Pérez, José J. and Harris, Glenn A. and Chipuk, Joseph E. and Brodbelt, Jennifer S. and Green, Michael D. and Hampton, Christina Y. and Fernández, Facundo M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {712--719},\n}\n\n\n\n
\n
\n\n\n
\n Transmission-mode direct analysis in real time (TM-DART) is presented as an alternative sampling strategy to traditional methods of sample introduction for DART MS analysis. A custom-designed sample holder was fabricated to rapidly and reproducibly position insecticide-treated nets normal to the ionizing metastable gas stream, enabling transmission of desorbed analyte ions through the holder cavity and into the MS. Introduction of the sample at this fixed geometry eliminates the need for optimizing sample position and allows spectra based on factors such as metastable gas temperature and flow to be systematically evaluated. The results presented here, supported by computational fluid dynamic simulations, demonstrate the effects of these factors on the resulting mass spectra and the potential of this sampling strategy to be used for qualitative and quantitative analyses. Transmission-mode desorption electrospray ionization (TM-DESI) experiments on similar insecticide-treated nets were performed for comparison purposes.\n
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\n \n\n \n \n \n \n \n \n Small Molecule Ambient Mass Spectrometry Imaging by Infrared Laser Ablation Metastable-Induced Chemical Ionization.\n \n \n \n \n\n\n \n Galhena, A. S.; Harris, G. A.; Nyadong, L.; Murray, K. K.; and Fernández, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 82(6): 2178–2181. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"SmallPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{galhena_small_2010,\n\ttitle = {Small {Molecule} {Ambient} {Mass} {Spectrometry} {Imaging} by {Infrared} {Laser} {Ablation} {Metastable}-{Induced} {Chemical} {Ionization}},\n\tvolume = {82},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac902905v},\n\tdoi = {10.1021/ac902905v},\n\tabstract = {Presented here is a novel ambient ion source termed infrared laser ablation metastable-induced chemical ionization (IR-LAMICI). IR-LAMICI integrates IR laser ablation and direct analysis in real time (DART)-type metastable-induced chemical ionization for open air mass spectrometry (MS) ionization. The ion generation in the IR-LAMICI source is a two step process. First, IR laser pulses impinge the sample surface ablating surface material. Second, a portion of ablated material reacts with the metastable reactive plume facilitating gas-phase chemical ionization of analyte molecules generating protonated or deprotonated species in positive and negative ion modes, respectively. The successful coupling of IR-laser ablation with metastable-induced chemical ionization resulted in an ambient plasma-based spatially resolved small molecule imaging platform for mass spectrometry (MS). The analytical capabilities of IR-LAMICI are explored by imaging pharmaceutical tablets, screening counterfeit drugs, and probing algal tissue surfaces for natural products. The resolution of a chemical image is determined by the crater size produced with each laser pulse but not by the size of the metastable gas jet. The detection limits for an active pharmaceutical ingredient (acetaminophen) using the IR-LAMICI source is calculated to be low picograms. Furthermore, three-dimensional computational fluid dynamic simulations showed improvements in the IR-LAMICI ion source are possible.},\n\tnumber = {6},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Galhena, Asiri S. and Harris, Glenn A. and Nyadong, Leonard and Murray, Kermit K. and Fernández, Facundo M.},\n\tyear = {2010},\n\tkeywords = {Ion, Thermo, trap},\n\tpages = {2178--2181},\n}\n\n\n\n
\n
\n\n\n
\n Presented here is a novel ambient ion source termed infrared laser ablation metastable-induced chemical ionization (IR-LAMICI). IR-LAMICI integrates IR laser ablation and direct analysis in real time (DART)-type metastable-induced chemical ionization for open air mass spectrometry (MS) ionization. The ion generation in the IR-LAMICI source is a two step process. First, IR laser pulses impinge the sample surface ablating surface material. Second, a portion of ablated material reacts with the metastable reactive plume facilitating gas-phase chemical ionization of analyte molecules generating protonated or deprotonated species in positive and negative ion modes, respectively. The successful coupling of IR-laser ablation with metastable-induced chemical ionization resulted in an ambient plasma-based spatially resolved small molecule imaging platform for mass spectrometry (MS). The analytical capabilities of IR-LAMICI are explored by imaging pharmaceutical tablets, screening counterfeit drugs, and probing algal tissue surfaces for natural products. The resolution of a chemical image is determined by the crater size produced with each laser pulse but not by the size of the metastable gas jet. The detection limits for an active pharmaceutical ingredient (acetaminophen) using the IR-LAMICI source is calculated to be low picograms. Furthermore, three-dimensional computational fluid dynamic simulations showed improvements in the IR-LAMICI ion source are possible.\n
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\n \n\n \n \n \n \n \n \n Selective ionization of melamine in powdered milk by using argon direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Dane, A. J.; and Cody, R. B.\n\n\n \n\n\n\n Analyst, 135(4): 696–699. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"SelectivePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{dane_selective_2010,\n\ttitle = {Selective ionization of melamine in powdered milk by using argon direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {135},\n\turl = {internal-pdf://Analyst_2010_135_696-699-3301440287/Analyst_2010_135_696-699.pdf},\n\tdoi = {10.1039/B923561B},\n\tabstract = {5-Hydroxymethylfurfural (5-HMF) is a compound with the elemental composition C6H6O3 that is present in powdered milk. Protonated 5-HMF (calculated m/z 127.0395) has the same nominal m/z as protonated melamine (calculated m/z 127.0732) and can interfere with direct analysis of melamine in powdered milk. Tandem mass spectrometry and high-resolution mass spectrometry have been previously used to distinguish melamine from 5-HMF. An alternative approach is presented here that uses the direct analysis in real time (DART) ion source operated with argon gas in combination with acetylacetone and pyridine reagent gases to selectively ionize melamine and eliminate the interference from 5-HMF. High-resolution/accurate mass data were used to verify the elimination of the 5-HMF interference and confirm the melamine elemental composition. With further refinement, this technique could lead to a rapid analysis method for screening large numbers of samples.},\n\tnumber = {4},\n\tjournal = {Analyst},\n\tauthor = {Dane, A. John and Cody, R. B.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {696--699},\n}\n\n\n\n
\n
\n\n\n
\n 5-Hydroxymethylfurfural (5-HMF) is a compound with the elemental composition C6H6O3 that is present in powdered milk. Protonated 5-HMF (calculated m/z 127.0395) has the same nominal m/z as protonated melamine (calculated m/z 127.0732) and can interfere with direct analysis of melamine in powdered milk. Tandem mass spectrometry and high-resolution mass spectrometry have been previously used to distinguish melamine from 5-HMF. An alternative approach is presented here that uses the direct analysis in real time (DART) ion source operated with argon gas in combination with acetylacetone and pyridine reagent gases to selectively ionize melamine and eliminate the interference from 5-HMF. High-resolution/accurate mass data were used to verify the elimination of the 5-HMF interference and confirm the melamine elemental composition. With further refinement, this technique could lead to a rapid analysis method for screening large numbers of samples.\n
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\n \n\n \n \n \n \n \n \n Ricin Activity Assay by Direct Analysis in Real Time Mass Spectrometry Detection of Adenine Release.\n \n \n \n \n\n\n \n Bevilacqua, V. L. H.; Nilles, J. M.; Rice, J. S.; Connell, T. R.; Schenning, A. M.; Reilly, L. M.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 82(3): 798–800. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RicinPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{bevilacqua_ricin_2010,\n\ttitle = {Ricin {Activity} {Assay} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry} {Detection} of {Adenine} {Release}},\n\tvolume = {82},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac9025972},\n\tdoi = {10.1021/ac9025972},\n\tabstract = {Biotoxin activity assays typically involve multistep sample preparation, multicomponent reactions, multistep analysis, or a combination thereof. We report a single-step, real-time ricin activity assay that requires little or no sample preparation and employs direct analysis in real time mass spectrometry. The release of adenine from the inhomogeneous substrate herring sperm DNA by ricin was determined to be 53 ± 2 pmol adenine per picomole of ricin per hour. This procedure can be readily adapted to any enzyme for which a reactant or product of low molecular weight (up to ∼600) can be identified.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Bevilacqua, Vicky L. H. and Nilles, J. Michael and Rice, Jeffrey S. and Connell, Theresa R. and Schenning, Amanda M. and Reilly, Lisa M. and Durst, H. Dupont},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {798--800},\n}\n\n\n\n
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\n Biotoxin activity assays typically involve multistep sample preparation, multicomponent reactions, multistep analysis, or a combination thereof. We report a single-step, real-time ricin activity assay that requires little or no sample preparation and employs direct analysis in real time mass spectrometry. The release of adenine from the inhomogeneous substrate herring sperm DNA by ricin was determined to be 53 ± 2 pmol adenine per picomole of ricin per hour. This procedure can be readily adapted to any enzyme for which a reactant or product of low molecular weight (up to ∼600) can be identified.\n
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\n \n\n \n \n \n \n \n \n Ambient Pressure Desorption Ionization Mass Spectrometry in Support of Preclinical Pharmaceutical Development.\n \n \n \n \n\n\n \n Helmy, R.; Schafer, W.; Buhler, L.; Marcinko, S.; Musselman, B.; Guidry, E.; Jenkins, H.; Fleitz, F.; and Welch, C. J.\n\n\n \n\n\n\n Organic Process Research & Development, 14(2): 386–392. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{helmy_ambient_2010,\n\ttitle = {Ambient {Pressure} {Desorption} {Ionization} {Mass} {Spectrometry} in {Support} of {Preclinical} {Pharmaceutical} {Development}},\n\tvolume = {14},\n\tissn = {1083-6160, 1520-586X},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/op9002938},\n\tdoi = {10.1021/op9002938},\n\tabstract = {The use of ambient pressure desorption ionization mass spectrometry for the rapid analytical support of process and pharmaceutical development is demonstrated. The ability of direct analysis in real time (DART) technology to analyze both active pharmaceutical ingredients (APIs) and intermediates without sample preparation or the development of LC-based separations provided critical experimental results with minimal time required for method development. The utility and versatility of DART is shown for applications such as degradation studies, analysis of high-throughput catalyst screens, preparative-scale chromatography fractions, and impurity determination.},\n\tnumber = {2},\n\turldate = {2012-04-18},\n\tjournal = {Organic Process Research \\& Development},\n\tauthor = {Helmy, Roy and Schafer, Wes and Buhler, Leah and Marcinko, Stephen and Musselman, Brian and Guidry, Erin and Jenkins, Herb and Fleitz, Fred and Welch, Christopher J.},\n\tyear = {2010},\n\tkeywords = {Thermo LTQ},\n\tpages = {386--392},\n}\n\n\n\n
\n
\n\n\n
\n The use of ambient pressure desorption ionization mass spectrometry for the rapid analytical support of process and pharmaceutical development is demonstrated. The ability of direct analysis in real time (DART) technology to analyze both active pharmaceutical ingredients (APIs) and intermediates without sample preparation or the development of LC-based separations provided critical experimental results with minimal time required for method development. The utility and versatility of DART is shown for applications such as degradation studies, analysis of high-throughput catalyst screens, preparative-scale chromatography fractions, and impurity determination.\n
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\n \n\n \n \n \n \n \n \n Optimization of a direct analysis in real time/time-of-flight mass spectrometry method for rapid serum metabolomic fingerprinting.\n \n \n \n \n\n\n \n Zhou, M.; McDonald, J. F.; and Fernández, F. M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 21(1): 68–75. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"OptimizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhou_optimization_2010,\n\ttitle = {Optimization of a direct analysis in real time/time-of-flight mass spectrometry method for rapid serum metabolomic fingerprinting},\n\tvolume = {21},\n\tissn = {1044-0305, 1879-1123},\n\turl = {http://www.springerlink.com/index/10.1016/j.jasms.2009.09.004},\n\tdoi = {10.1016/j.jasms.2009.09.004},\n\tabstract = {Metabolomic fingerprinting of bodily fluids can reveal the underlying causes of metabolic disorders associated with many diseases, and has thus been recognized as a potential tool for disease diagnosis and prognosis following therapy. Here we report a rapid approach in which direct analysis in real time (DART) coupled with time-of-flight (TOF) mass spectrometry (MS) and hybrid quadrupole TOF (Q-TOF) MS is used as a means for metabolomic fingerprinting of human serum. In this approach, serum samples are first treated to precipitate proteins, and the volatility of the remaining metabolites increased by derivatization, followed by DART MS analysis. Maximum DART MS performance was obtained by optimizing instrumental parameters such as ionizing gas temperature and flow rate for the analysis of identical aliquots of a healthy human serum samples. These variables were observed to have a significant effect on the overall mass range of the metabolites detected as well as the signal-to-noise ratios in DART mass spectra. Each DART run requires only 1.2 min, during which more than 1500 different spectral features are observed in a time-dependent fashion. A repeatability of 4.1\\% to 4.5\\% was obtained for the total ion signal using a manual sampling arm. With the appealing features of high-throughput, lack of memory effects, and simplicity, DART MS has shown potential to become an invaluable tool for metabolomic fingerprinting.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Zhou, Manshui and McDonald, John F. and Fernández, Facundo M.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {68--75},\n}\n\n\n\n
\n
\n\n\n
\n Metabolomic fingerprinting of bodily fluids can reveal the underlying causes of metabolic disorders associated with many diseases, and has thus been recognized as a potential tool for disease diagnosis and prognosis following therapy. Here we report a rapid approach in which direct analysis in real time (DART) coupled with time-of-flight (TOF) mass spectrometry (MS) and hybrid quadrupole TOF (Q-TOF) MS is used as a means for metabolomic fingerprinting of human serum. In this approach, serum samples are first treated to precipitate proteins, and the volatility of the remaining metabolites increased by derivatization, followed by DART MS analysis. Maximum DART MS performance was obtained by optimizing instrumental parameters such as ionizing gas temperature and flow rate for the analysis of identical aliquots of a healthy human serum samples. These variables were observed to have a significant effect on the overall mass range of the metabolites detected as well as the signal-to-noise ratios in DART mass spectra. Each DART run requires only 1.2 min, during which more than 1500 different spectral features are observed in a time-dependent fashion. A repeatability of 4.1% to 4.5% was obtained for the total ion signal using a manual sampling arm. With the appealing features of high-throughput, lack of memory effects, and simplicity, DART MS has shown potential to become an invaluable tool for metabolomic fingerprinting.\n
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\n \n\n \n \n \n \n \n \n Small Molecule Ambient Mass Spectrometry Imaging by Infrared Laser Ablation Metastable-Induced Chemical Ionization.\n \n \n \n \n\n\n \n Galhena, A. S.; Harris, G. A.; Nyadong, L.; Murray, K. K.; and Fernández, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 82(6): 2178–2181. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"SmallPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{galhena_small_2010,\n\ttitle = {Small {Molecule} {Ambient} {Mass} {Spectrometry} {Imaging} by {Infrared} {Laser} {Ablation} {Metastable}-{Induced} {Chemical} {Ionization}},\n\tvolume = {82},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac902905v},\n\tdoi = {10.1021/ac902905v},\n\tabstract = {Presented here is a novel ambient ion source termed infrared laser ablation metastable-induced chemical ionization (IR-LAMICI). IR-LAMICI integrates IR laser ablation and direct analysis in real time (DART)-type metastable-induced chemical ionization for open air mass spectrometry (MS) ionization. The ion generation in the IR-LAMICI source is a two step process. First, IR laser pulses impinge the sample surface ablating surface material. Second, a portion of ablated material reacts with the metastable reactive plume facilitating gas-phase chemical ionization of analyte molecules generating protonated or deprotonated species in positive and negative ion modes, respectively. The successful coupling of IR-laser ablation with metastable-induced chemical ionization resulted in an ambient plasma-based spatially resolved small molecule imaging platform for mass spectrometry (MS). The analytical capabilities of IR-LAMICI are explored by imaging pharmaceutical tablets, screening counterfeit drugs, and probing algal tissue surfaces for natural products. The resolution of a chemical image is determined by the crater size produced with each laser pulse but not by the size of the metastable gas jet. The detection limits for an active pharmaceutical ingredient (acetaminophen) using the IR-LAMICI source is calculated to be low picograms. Furthermore, three-dimensional computational fluid dynamic simulations showed improvements in the IR-LAMICI ion source are possible.},\n\tnumber = {6},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Galhena, Asiri S. and Harris, Glenn A. and Nyadong, Leonard and Murray, Kermit K. and Fernández, Facundo M.},\n\tyear = {2010},\n\tkeywords = {Thermo Ion Trap},\n\tpages = {2178--2181},\n}\n\n\n\n
\n
\n\n\n
\n Presented here is a novel ambient ion source termed infrared laser ablation metastable-induced chemical ionization (IR-LAMICI). IR-LAMICI integrates IR laser ablation and direct analysis in real time (DART)-type metastable-induced chemical ionization for open air mass spectrometry (MS) ionization. The ion generation in the IR-LAMICI source is a two step process. First, IR laser pulses impinge the sample surface ablating surface material. Second, a portion of ablated material reacts with the metastable reactive plume facilitating gas-phase chemical ionization of analyte molecules generating protonated or deprotonated species in positive and negative ion modes, respectively. The successful coupling of IR-laser ablation with metastable-induced chemical ionization resulted in an ambient plasma-based spatially resolved small molecule imaging platform for mass spectrometry (MS). The analytical capabilities of IR-LAMICI are explored by imaging pharmaceutical tablets, screening counterfeit drugs, and probing algal tissue surfaces for natural products. The resolution of a chemical image is determined by the crater size produced with each laser pulse but not by the size of the metastable gas jet. The detection limits for an active pharmaceutical ingredient (acetaminophen) using the IR-LAMICI source is calculated to be low picograms. Furthermore, three-dimensional computational fluid dynamic simulations showed improvements in the IR-LAMICI ion source are possible.\n
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\n \n\n \n \n \n \n \n \n Explosives Detection Using Direct Analysis in Real Time (DART) Mass Spectrometry.\n \n \n \n \n\n\n \n Nilles, J. M.; Connell, T. R.; Stokes, S. T.; and Dupont Durst, H.\n\n\n \n\n\n\n Propellants, Explosives, Pyrotechnics, 35(5): 446–451. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"ExplosivesPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nilles_explosives_2010,\n\ttitle = {Explosives {Detection} {Using} {Direct} {Analysis} in {Real} {Time} ({DART}) {Mass} {Spectrometry}},\n\tvolume = {35},\n\tissn = {07213115},\n\turl = {http://doi.wiley.com/10.1002/prep.200900084},\n\tdoi = {10.1002/prep.200900084},\n\tabstract = {The growing use of explosives by terrorists and criminals creates a need for instrumentation which can rapidly analyze these energetic compounds, preferably on site. Direct analysis in real time (DART) is a promising technology for surface analysis with little or no sample preparation. Therefore, DART ionization is evaluated for use in detecting explosives on solid substrates and in liquid matrices. Fifteen explosives were chosen as a consequence of their common usage. Five surfaces were chosen to represent a wide range of physical properties such as composition, porosity, surface morphology, and thermal and electrical conductivity. Additionally these surfaces are commonly found in everyday surroundings. All 75 compound-surface combinations produced a clear, easily identifiable, mass spectra characteristic of the targeted analyte. Simultaneous detection of five explosives is demonstrated on these same surfaces. Lastly, rapid detection of trace contamination in common fluids is also explored.},\n\tnumber = {5},\n\turldate = {2012-04-18},\n\tjournal = {Propellants, Explosives, Pyrotechnics},\n\tauthor = {Nilles, J. Michael and Connell, Theresa R. and Stokes, Sarah T. and Dupont Durst, H.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {446--451},\n}\n\n\n\n
\n
\n\n\n
\n The growing use of explosives by terrorists and criminals creates a need for instrumentation which can rapidly analyze these energetic compounds, preferably on site. Direct analysis in real time (DART) is a promising technology for surface analysis with little or no sample preparation. Therefore, DART ionization is evaluated for use in detecting explosives on solid substrates and in liquid matrices. Fifteen explosives were chosen as a consequence of their common usage. Five surfaces were chosen to represent a wide range of physical properties such as composition, porosity, surface morphology, and thermal and electrical conductivity. Additionally these surfaces are commonly found in everyday surroundings. All 75 compound-surface combinations produced a clear, easily identifiable, mass spectra characteristic of the targeted analyte. Simultaneous detection of five explosives is demonstrated on these same surfaces. Lastly, rapid detection of trace contamination in common fluids is also explored.\n
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\n \n\n \n \n \n \n \n \n Identification of marker compounds in herbal drugs on TLC with DART-MS.\n \n \n \n \n\n\n \n Kim, H. J.; Jee, E. H.; Ahn, K. S.; Choi, H. S.; and Jang, Y. P.\n\n\n \n\n\n\n Archives of Pharmacal Research, 33(9): 1355–1359. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_identification_2010,\n\ttitle = {Identification of marker compounds in herbal drugs on {TLC} with {DART}-{MS}},\n\tvolume = {33},\n\tissn = {0253-6269, 1976-3786},\n\turl = {http://www.springerlink.com/index/10.1007/s12272-010-0909-7},\n\tdoi = {10.1007/s12272-010-0909-7},\n\tabstract = {This study was conducted to provide a more versatile and specific information on Thin Layer Chromatographic (TLC) analysis of medicinal plants. TLC plates developed with the extract of herbal medicines were analyzed with direct analysis in real time (DART) ion source. Three well known herbal drugs were extracted and developed on a silica-coated TLC plate with the conditions pre-established in Korean Pharmacopoeia IX. The developed plate was placed between the DART ion source and TOF-MS analyzer to get real time mass spectra from the bands on the TLC plate directly. The marker coumarin compounds, decursin and decursinol were successfully identified from the TLC plate developed with Angelicae gigantis radix, along with alkaloid compounds of rutaecarpine and evodiamine from Evodiae fructus, and lignan molecules of gomisin A, N, and schisandrin from Schisandrae fructus. This hyphenation system of TLC and DART-MS could provide unique and specific information on the major constituents of crude plant drug on TLC through uncovering high resolution mass number of each band on the TLC plate directly in real time.},\n\tnumber = {9},\n\turldate = {2012-04-18},\n\tjournal = {Archives of Pharmacal Research},\n\tauthor = {Kim, Hye Jin and Jee, Eun Hye and Ahn, Kwang Sung and Choi, Hyo Sook and Jang, Young Pyo},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {1355--1359},\n}\n\n\n\n
\n
\n\n\n
\n This study was conducted to provide a more versatile and specific information on Thin Layer Chromatographic (TLC) analysis of medicinal plants. TLC plates developed with the extract of herbal medicines were analyzed with direct analysis in real time (DART) ion source. Three well known herbal drugs were extracted and developed on a silica-coated TLC plate with the conditions pre-established in Korean Pharmacopoeia IX. The developed plate was placed between the DART ion source and TOF-MS analyzer to get real time mass spectra from the bands on the TLC plate directly. The marker coumarin compounds, decursin and decursinol were successfully identified from the TLC plate developed with Angelicae gigantis radix, along with alkaloid compounds of rutaecarpine and evodiamine from Evodiae fructus, and lignan molecules of gomisin A, N, and schisandrin from Schisandrae fructus. This hyphenation system of TLC and DART-MS could provide unique and specific information on the major constituents of crude plant drug on TLC through uncovering high resolution mass number of each band on the TLC plate directly in real time.\n
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\n \n\n \n \n \n \n \n \n DART mass spectrometry: a fast screening of solid pharmaceuticals for the presence of an active ingredient, as an alternative for IR spectroscopy.\n \n \n \n \n\n\n \n Chernetsova, E. S.; Bochkov, P. O.; Ovcharov, M. V.; Zhokhov, S. S.; and Abramovich, R. A.\n\n\n \n\n\n\n Drug Testing and Analysis, 2(6): 292–294. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"DARTPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{chernetsova_dart_2010,\n\ttitle = {{DART} mass spectrometry: a fast screening of solid pharmaceuticals for the presence of an active ingredient, as an alternative for {IR} spectroscopy},\n\tvolume = {2},\n\tissn = {1942-7611},\n\turl = {http://dx.doi.org/10.1002/dta.136},\n\tdoi = {10.1002/dta.136},\n\tabstract = {The application of DART as a choice analytical tool for rapid analysis of counterfeit pharmaceuticals is discussed. DART technology shows considerable promise for rapid, ‘investigator friendly’ studies of ingredients contained within pharmaceuticals. Its user friendly approach renders it as an attractive, rapid, labour saving tool in comparison to its traditional IR counterpart.},\n\tnumber = {6},\n\tjournal = {Drug Testing and Analysis},\n\tauthor = {Chernetsova, Elena S. and Bochkov, Pavel O. and Ovcharov, Maxim V. and Zhokhov, Sergey S. and Abramovich, Rimma A.},\n\tyear = {2010},\n\tpages = {292--294},\n}\n\n\n\n
\n
\n\n\n
\n The application of DART as a choice analytical tool for rapid analysis of counterfeit pharmaceuticals is discussed. DART technology shows considerable promise for rapid, ‘investigator friendly’ studies of ingredients contained within pharmaceuticals. Its user friendly approach renders it as an attractive, rapid, labour saving tool in comparison to its traditional IR counterpart.\n
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\n \n\n \n \n \n \n \n \n Rapid identification of stabilisers in polypropylene using time-of-flight mass spectrometry and DART as ion source.\n \n \n \n \n\n\n \n Haunschmidt, M.; Klampfl, C. W.; Buchberger, W.; and Hertsens, R.\n\n\n \n\n\n\n The Analyst, 135(1): 80. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haunschmidt_rapid_2010,\n\ttitle = {Rapid identification of stabilisers in polypropylene using time-of-flight mass spectrometry and {DART} as ion source},\n\tvolume = {135},\n\tissn = {0003-2654, 1364-5528},\n\turl = {http://xlink.rsc.org/?DOI=b911040b},\n\tdoi = {10.1039/b911040b},\n\tabstract = {A method for analysing plastic samples without any sample pretreatment using direct analysis in real time mass spectrometry (DART-MS) was developed. DART-MS allows the direct, simple and rapid identification of polymer additives in plastic products. To demonstrate the suitability of DART-MS for the detection of a wide range of commonly employed stabilising agents, a test set of 21 stabilisers was selected. In a first step standard solutions of these stabilisers in toluene as well as toluene-extracts from polymer samples were analysed. Subsequently, to prove the applicability of the developed DART-MS method also for the direct analysis of plastic products, samples of polypropylene containing a range of stabilisers were prepared using a lab-scale compounder. Polymer samples were cut into 0.5 cm wide pieces and directly placed into the DART ion source. Focusing on the DART ionisation, several parameters like discharge needle potential, potential of the grid electrode and the discharge electrode, the heater temperature and the gas flow had to be varied to guarantee optimum results. Both positive and negative ionisation was tested, whereby the positive ion mode led to higher signal intensities for all analytes. Determination of accurate masses to improve the certainty in signal assignment could be achieved by using PEG 600 as an internal standard for mass calibration. The developed method allowed the detection of all selected additives (including some of their degradation products) in real polymer samples.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {The Analyst},\n\tauthor = {Haunschmidt, Manuela and Klampfl, Christian W. and Buchberger, Wolfgang and Hertsens, Robert},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {80},\n}\n\n\n\n
\n
\n\n\n
\n A method for analysing plastic samples without any sample pretreatment using direct analysis in real time mass spectrometry (DART-MS) was developed. DART-MS allows the direct, simple and rapid identification of polymer additives in plastic products. To demonstrate the suitability of DART-MS for the detection of a wide range of commonly employed stabilising agents, a test set of 21 stabilisers was selected. In a first step standard solutions of these stabilisers in toluene as well as toluene-extracts from polymer samples were analysed. Subsequently, to prove the applicability of the developed DART-MS method also for the direct analysis of plastic products, samples of polypropylene containing a range of stabilisers were prepared using a lab-scale compounder. Polymer samples were cut into 0.5 cm wide pieces and directly placed into the DART ion source. Focusing on the DART ionisation, several parameters like discharge needle potential, potential of the grid electrode and the discharge electrode, the heater temperature and the gas flow had to be varied to guarantee optimum results. Both positive and negative ionisation was tested, whereby the positive ion mode led to higher signal intensities for all analytes. Determination of accurate masses to improve the certainty in signal assignment could be achieved by using PEG 600 as an internal standard for mass calibration. The developed method allowed the detection of all selected additives (including some of their degradation products) in real polymer samples.\n
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\n \n\n \n \n \n \n \n \n Bambusae Caulis in Taeniam extract reduces ovalbumin-induced airway inflammation and T helper 2 responses in mice.\n \n \n \n \n\n\n \n Ra, J.; Lee, S.; Kim, H.; Jang, Y.; Ahn, H.; and Kim, J.\n\n\n \n\n\n\n Journal of Ethnopharmacology, 128(1): 241–247. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"BambusaePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{ra_bambusae_2010,\n\ttitle = {Bambusae {Caulis} in {Taeniam} extract reduces ovalbumin-induced airway inflammation and {T} helper 2 responses in mice},\n\tvolume = {128},\n\turl = {http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6T8D-4Y5BMD1-B&_user=10&_coverDate=03%2F02%2F2010&_rdoc=1&_fmt=high&_orig=search&_sort=d&_docanchor=&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=4d40845f392128c88900870785447421},\n\tdoi = {10.1016/j.jep.2010.01.023},\n\tabstract = {Ethnopharmacological relevance Bambusae Caulis in Taeniam (BC) was known as traditional herbal medicine with anti-inflammatory property in the Orient. Aim of the study Allergic asthma is inflammatory disease of airways associated with enhanced T helper (Th) 2 lymphocytes responses to allergens, leading to eosinophilic infiltration and elevated serum IgE levels. Although there were some studies that BC extract had an anti-inflammatory property, there was no study on asthma. In present study, we investigated the suitability of BC extract as a therapeutic candidate in the treatment of allergic airway disease in ovalbumin-induced asthma model. Materials and methods Balb/C mice (female, 6 weeks old) were treated by ovalbumin sensitization and nebulization, and used as asthma model. The number of eosinophil in bronchoalveolar lavage (BAL) fluid and the degree of eosinophila were investigated by hematoxylin and eosin stain and the infiltration of inflammatory cells into lung tissues was examined by staining by hematoxylin and eosin solution. The levels of interleukin (IL)-4 in BAL fluid, immunoglobulin E (IgE) in serum, interferon (IFN)-γ and IL-4 production in splenocyte culture from Balb/C mice (not treated, 6 weeks old) that incubated with or without BC extract for 48 h were determined by enzyme-linked immunosorbent assay. Results The level of eosinophils was decreased by treatment of the animals with BC extract (40 mg/kg) and correspondingly, a significantly lowered degree of eosinophila was also reported (p {\\textless} 0.01). In lung tissue, BC extract reduced the increased immune cell infiltration induced by OVA (p {\\textless} 0.05). Furthermore, the levels of IL-4 and IgE in BAL fluid or serum up-regulated by OVA was decreased by BC extract. Finally, IFN-γ production was significantly increased (p {\\textless} 0.01), while IL-4 production significantly decreased (p {\\textless} 0.01), after treatment of the culture supernatants of splenocytes with BC extract. Conclusions These results indicated that BC extract reduces OVA-induced airway inflammation and Th 2 response in mice, suggesting that BC extract can be a therapeutic candidate for allergic airway disease, including asthma.},\n\tnumber = {1},\n\tjournal = {Journal of Ethnopharmacology},\n\tauthor = {Ra, J. and Lee, S. and Kim, H.J. and Jang, Y.P. and Ahn, H. and Kim, J.},\n\tyear = {2010},\n\tkeywords = {Airway inflammation; Bambusae Caulis in Taeniam; Herbal medicine; AccuTOF},\n\tpages = {241--247},\n}\n\n\n\n
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\n Ethnopharmacological relevance Bambusae Caulis in Taeniam (BC) was known as traditional herbal medicine with anti-inflammatory property in the Orient. Aim of the study Allergic asthma is inflammatory disease of airways associated with enhanced T helper (Th) 2 lymphocytes responses to allergens, leading to eosinophilic infiltration and elevated serum IgE levels. Although there were some studies that BC extract had an anti-inflammatory property, there was no study on asthma. In present study, we investigated the suitability of BC extract as a therapeutic candidate in the treatment of allergic airway disease in ovalbumin-induced asthma model. Materials and methods Balb/C mice (female, 6 weeks old) were treated by ovalbumin sensitization and nebulization, and used as asthma model. The number of eosinophil in bronchoalveolar lavage (BAL) fluid and the degree of eosinophila were investigated by hematoxylin and eosin stain and the infiltration of inflammatory cells into lung tissues was examined by staining by hematoxylin and eosin solution. The levels of interleukin (IL)-4 in BAL fluid, immunoglobulin E (IgE) in serum, interferon (IFN)-γ and IL-4 production in splenocyte culture from Balb/C mice (not treated, 6 weeks old) that incubated with or without BC extract for 48 h were determined by enzyme-linked immunosorbent assay. Results The level of eosinophils was decreased by treatment of the animals with BC extract (40 mg/kg) and correspondingly, a significantly lowered degree of eosinophila was also reported (p \\textless 0.01). In lung tissue, BC extract reduced the increased immune cell infiltration induced by OVA (p \\textless 0.05). Furthermore, the levels of IL-4 and IgE in BAL fluid or serum up-regulated by OVA was decreased by BC extract. Finally, IFN-γ production was significantly increased (p \\textless 0.01), while IL-4 production significantly decreased (p \\textless 0.01), after treatment of the culture supernatants of splenocytes with BC extract. Conclusions These results indicated that BC extract reduces OVA-induced airway inflammation and Th 2 response in mice, suggesting that BC extract can be a therapeutic candidate for allergic airway disease, including asthma.\n
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\n \n\n \n \n \n \n \n Capabilities of direct analysis in real time mass spectrometry and gas chromatography-mass spectrometry in the mint oil test.\n \n \n \n\n\n \n Chernetsova, E. S.; Khomyakov, Y. Y.; Goryainov, S. V.; Ovcharov, M. V.; Bochkov, P. O.; Zatonsky, G. V.; Zhokhov, S. S.; and Abramovich, R. A.\n\n\n \n\n\n\n Mendeleev Communications, 20(5): 299–300. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{chernetsova_capabilities_2010,\n\ttitle = {Capabilities of direct analysis in real time mass spectrometry and gas chromatography-mass spectrometry in the mint oil test},\n\tvolume = {20},\n\tabstract = {Direct analysis in real time (DART) mass spectrometry is compared to gas chromatography–mass spectrometry by the example of mint essential oil analysis.},\n\tnumber = {5},\n\tjournal = {Mendeleev Communications},\n\tauthor = {Chernetsova, Elena S. and Khomyakov, Yuri Yu. and Goryainov, Sergey V. and Ovcharov, Maxim V. and Bochkov, Pavel O. and Zatonsky, George V. and Zhokhov, Sergey S. and Abramovich, Rimma A.},\n\tyear = {2010},\n\tkeywords = {AccuTOF},\n\tpages = {299--300},\n}\n\n\n\n
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\n Direct analysis in real time (DART) mass spectrometry is compared to gas chromatography–mass spectrometry by the example of mint essential oil analysis.\n
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\n \n\n \n \n \n \n \n Analysis of multiple mycotoxins in cereals under ambient conditions using direct analysis in real time (DART) ionization coupled to high resolution mass spectrometry.\n \n \n \n\n\n \n Vaclavik, L.; Zachariasova, M.; Hrbek, V.; and Hajslova, J.\n\n\n \n\n\n\n Talanta, 82(5): 1950–1957. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{vaclavik_analysis_2010,\n\ttitle = {Analysis of multiple mycotoxins in cereals under ambient conditions using direct analysis in real time ({DART}) ionization coupled to high resolution mass spectrometry},\n\tvolume = {82},\n\tabstract = {Direct analysis in real time (DART) ionization coupled to an (ultra)high resolution mass spectrometer based on orbitrap technology (orbitrapMS) was used for rapid quantitative analysis of multiple mycotoxins isolated from wheat and maize by modified QuEChERS procedure. After initial evaluation of ionization efficiencies for major groups of mycotoxins achievable with DART technology, sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of most intensively ionizing toxins (deoxynivalenol, nivalenol, zearalenon, actyldeoxynivalenol, deepoxy-deoxynivalenol, fusarenon-X, altenuene, alternariol, alternariolmethylether, diacetoxyscirpenol,\nsterigmatocystin). The lowest calibration levels (LCLs) estimated for the respective analytes ranged from 50 to 150 [mu]g kg-1. Quantitative\nanalysis was performed either with the use of matrix-matched standards or by employing commercially available 13C-labeled internal standards\n(available for deoxynivalenol, nivalenol and zearalenon). Good recoveries (100-108\\%) and repeatabilities (RSD 5.4-6.9\\%) were obtained\nat spiking level 500 [mu]g kg-1 with isotope dilution technique. Based on matrix-matched calibration, recoveries and repeatabilities were in\nthe range 84-118\\% and 7.9-12.0\\% (RSD), respectively. The trueness of data obtained for deoxynivalenol and zearalenon in wheat/maize by DART-orbitrapMS was demonstrated by analysis of certified reference materials (CRMs). Good agreement of these results with data generated\nby validated ultra-high pressure liquid chromatography-time-of-flight mass spectrometry method was documented.},\n\tnumber = {5},\n\tjournal = {Talanta},\n\tauthor = {Vaclavik, Lukas and Zachariasova, Milena and Hrbek, Vojtech and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Orbitrap},\n\tpages = {1950--1957},\n}\n\n\n\n
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\n Direct analysis in real time (DART) ionization coupled to an (ultra)high resolution mass spectrometer based on orbitrap technology (orbitrapMS) was used for rapid quantitative analysis of multiple mycotoxins isolated from wheat and maize by modified QuEChERS procedure. After initial evaluation of ionization efficiencies for major groups of mycotoxins achievable with DART technology, sample preparation procedure and instrument parameter settings were optimized to obtain sensitive and accurate determination of most intensively ionizing toxins (deoxynivalenol, nivalenol, zearalenon, actyldeoxynivalenol, deepoxy-deoxynivalenol, fusarenon-X, altenuene, alternariol, alternariolmethylether, diacetoxyscirpenol, sterigmatocystin). The lowest calibration levels (LCLs) estimated for the respective analytes ranged from 50 to 150 [mu]g kg-1. Quantitative analysis was performed either with the use of matrix-matched standards or by employing commercially available 13C-labeled internal standards (available for deoxynivalenol, nivalenol and zearalenon). Good recoveries (100-108%) and repeatabilities (RSD 5.4-6.9%) were obtained at spiking level 500 [mu]g kg-1 with isotope dilution technique. Based on matrix-matched calibration, recoveries and repeatabilities were in the range 84-118% and 7.9-12.0% (RSD), respectively. The trueness of data obtained for deoxynivalenol and zearalenon in wheat/maize by DART-orbitrapMS was demonstrated by analysis of certified reference materials (CRMs). Good agreement of these results with data generated by validated ultra-high pressure liquid chromatography-time-of-flight mass spectrometry method was documented.\n
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\n \n\n \n \n \n \n \n An ultra superfast identification of low-molecular components of pharmaceuticals by DART mass spectrometry.\n \n \n \n\n\n \n Chernetsova, E.; Bochkov, P.; Ovcharov, M.; Zatonskii, G.; and Abramovich, R.\n\n\n \n\n\n\n Journal of Analytical Chemistry, 65(14): 1537–1539. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{chernetsova_ultra_2010,\n\ttitle = {An ultra superfast identification of low-molecular components of pharmaceuticals by {DART} mass spectrometry},\n\tvolume = {65},\n\tnumber = {14},\n\tjournal = {Journal of Analytical Chemistry},\n\tauthor = {Chernetsova, E.S. and Bochkov, P.O. and Ovcharov, M.V. and Zatonskii, G.V. and Abramovich, R.A.},\n\tyear = {2010},\n\tkeywords = {DART; AccuTOF},\n\tpages = {1537--1539},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid determination of melamine and cyanuric acid in milk powder using direct analysis in real time-time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Vaclavik, L.; Rosmus, J.; Popping, B.; and Hajslova, J.\n\n\n \n\n\n\n Journal of Chromatography A, 1217(25): 4204–4211. 2010.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{vaclavik_rapid_2010,\n\ttitle = {Rapid determination of melamine and cyanuric acid in milk powder using direct analysis in real time-time-of-flight mass spectrometry},\n\tvolume = {1217},\n\turl = {http://dx.doi.org/10.1016/j.chroma.2010.03.014},\n\tabstract = {The use of fast semi-automated method employing direct analysis in real time (DART) ion source coupled to time-of-flight mass spectrometry (TOFMS) for analysis of melamine (MEL) and cyanuric acid (CYA) in milk powder and milk based products has been demonstrated in this study. Simple sample extraction procedure employing methanol–5\\% aqueous formic acid mixture, which enabled disruption of melamine–cyanurate complex, was followed by direct, high-throughput (30 s per run) examination of sample extracts spread on a glass rod by mass spectrometry under ambient conditions, without any prior chromatographic separation. After optimization of instrument parameter settings, limits of detection (LODs) 170 and 450 μg kg−1 were achieved for MEL and CYA, respectively. In the final phase of study, the possibility of minimizing spectral interference, thus improving method performance characteristics through the use of ultrahigh resolving power offered by Orbitrap based mass analyzer is demonstrated.},\n\tnumber = {25},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Vaclavik, Lukas and Rosmus, Jan and Popping, Bert and Hajslova, Jana},\n\tyear = {2010},\n\tkeywords = {Melamine; Cyanuric acid; Milk powder; Direct analysis in real time (DART); Time-of-flight mass spectrometry; AccuTOF; Orbitrap mass spectrometry},\n\tpages = {4204--4211},\n}\n\n\n\n
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\n The use of fast semi-automated method employing direct analysis in real time (DART) ion source coupled to time-of-flight mass spectrometry (TOFMS) for analysis of melamine (MEL) and cyanuric acid (CYA) in milk powder and milk based products has been demonstrated in this study. Simple sample extraction procedure employing methanol–5% aqueous formic acid mixture, which enabled disruption of melamine–cyanurate complex, was followed by direct, high-throughput (30 s per run) examination of sample extracts spread on a glass rod by mass spectrometry under ambient conditions, without any prior chromatographic separation. After optimization of instrument parameter settings, limits of detection (LODs) 170 and 450 μg kg−1 were achieved for MEL and CYA, respectively. In the final phase of study, the possibility of minimizing spectral interference, thus improving method performance characteristics through the use of ultrahigh resolving power offered by Orbitrap based mass analyzer is demonstrated.\n
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\n \n\n \n \n \n \n \n Profiling of Piper betle Linn. cultivars by direct analysis in real time mass spectrometric technique.\n \n \n \n\n\n \n Bajpai, V.; Sharma, D.; Kumar, B.; and Madhusudanan, K. P.\n\n\n \n\n\n\n Biomedical Chromatography, 24(12): 1283–1286. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{bajpai_profiling_2010,\n\ttitle = {Profiling of {Piper} betle {Linn}. cultivars by direct analysis in real time mass spectrometric technique},\n\tvolume = {24},\n\tdoi = {10.1002/bmc.1437},\n\tabstract = {Piper betle Linn. is a traditional plant associated with the Asian and southeast Asian cultures. Its use is also recorded in folk medicines in these regions. Several of its medicinal properties have recently been proven. Phytochemical analysis showed the presence of mainly terpenes and phenols in betel leaves. These constituents vary in the different cultivars of Piper betle. In this paper we have attempted to profile eight locally available betel cultivars using the recently developed mass spectral ionization technique of direct analysis in real time (DART). Principal component analysis has also been employed to analyze the DART MS data of these betel cultivars. The results show that the cultivars of Piper betle could be differentiated using DART MS data.},\n\tnumber = {12},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Bajpai, Vikas and Sharma, Deepty and Kumar, Brijesh and Madhusudanan, K. P.},\n\tyear = {2010},\n\tkeywords = {DARTMS; Piper betle L; cultivars; profiling; PCA; AccuTOF},\n\tpages = {1283--1286},\n}\n\n\n\n
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\n Piper betle Linn. is a traditional plant associated with the Asian and southeast Asian cultures. Its use is also recorded in folk medicines in these regions. Several of its medicinal properties have recently been proven. Phytochemical analysis showed the presence of mainly terpenes and phenols in betel leaves. These constituents vary in the different cultivars of Piper betle. In this paper we have attempted to profile eight locally available betel cultivars using the recently developed mass spectral ionization technique of direct analysis in real time (DART). Principal component analysis has also been employed to analyze the DART MS data of these betel cultivars. The results show that the cultivars of Piper betle could be differentiated using DART MS data.\n
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\n \n\n \n \n \n \n \n A Rapid Technique for the Confirmation of Iodine and Red Phosphorus Using Direct Analysis in Real Time and Accurate Mass Spectrometry.\n \n \n \n\n\n \n Steiner, R. R\n\n\n \n\n\n\n Microgram J, 7(1): 3–6. 2010.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{steiner_rapid_2010,\n\ttitle = {A {Rapid} {Technique} for the {Confirmation} of {Iodine} and {Red} {Phosphorus} {Using} {Direct} {Analysis} in {Real} {Time} and {Accurate} {Mass} {Spectrometry}},\n\tvolume = {7},\n\tabstract = {Iodine and red phosphorus are chemicals commonly seen in clandestine methamphetamine laboratories. Current analytical methods used for the confirmation of these chemicals include FTIR and GC/MS, usually after a derivatization or reaction with other compounds. X-ray diffraction and scanning electron microscope-energy dispersive x-ray analysis are also used to confirm these chemicals, but all of these techniques tend to be time-consuming or produce poisonous products. A novel technique, using the JEOL-IonSense AccuTOF-DART system, has been developed which yields accurate mass spectra usually in less than ten minutes of analysis time, with no sample preparation.},\n\tnumber = {1},\n\tjournal = {Microgram J},\n\tauthor = {Steiner, Robert R},\n\tyear = {2010},\n\tpages = {3--6},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Iodine and red phosphorus are chemicals commonly seen in clandestine methamphetamine laboratories. Current analytical methods used for the confirmation of these chemicals include FTIR and GC/MS, usually after a derivatization or reaction with other compounds. X-ray diffraction and scanning electron microscope-energy dispersive x-ray analysis are also used to confirm these chemicals, but all of these techniques tend to be time-consuming or produce poisonous products. A novel technique, using the JEOL-IonSense AccuTOF-DART system, has been developed which yields accurate mass spectra usually in less than ten minutes of analysis time, with no sample preparation.\n
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\n \n\n \n \n \n \n \n \n Identification of active ingredients in dietary supplements using non-destructive mass spectrometry and liquid chromatography–mass spectrometry.\n \n \n \n \n\n\n \n Saka, K.; Konuma, K.; Asai, S.; Unuma, K.; Nakajima, M.; and Yoshida, K.\n\n\n \n\n\n\n Forensic Science International, 191(1-3): e5–e10. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{saka_identification_2009,\n\ttitle = {Identification of active ingredients in dietary supplements using non-destructive mass spectrometry and liquid chromatography–mass spectrometry},\n\tvolume = {191},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073809002898},\n\tdoi = {10.1016/j.forsciint.2009.07.007},\n\tabstract = {A mid-forties woman purchased seven different dietary supplements from Thailand on the internet and subsequently died after taking these supplements. Since there were no ingredient labels on the supplements, we identified the active ingredients using direct analysis in real time–mass spectrometry (DART–MS), direct exposure probe–MS (DEP–MS), and liquid chromatography–MS (LC–MS). DART–MS gives exact molecular weights and DEP–MS shows the fragmentation of a molecule by electron ionization. Analyses using these two instruments are rapid and do not require extraction of the sample. The compounds predicted by DART–MS and DEP–MS were confirmed by LC–MS and the active ingredients of the seven dietary supplements were identified.},\n\tnumber = {1-3},\n\turldate = {2012-04-18},\n\tjournal = {Forensic Science International},\n\tauthor = {Saka, Kanju and Konuma, Kiyotaka and Asai, Shigehiro and Unuma, Kana and Nakajima, Makoto and Yoshida, Ken-ichi},\n\tyear = {2009},\n\tkeywords = {Dietary supplements; Direct analysis in real time; Direct exposure probe; Liquid chromatography–mass spectrometry; AccuTOF},\n\tpages = {e5--e10},\n}\n\n\n\n
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\n A mid-forties woman purchased seven different dietary supplements from Thailand on the internet and subsequently died after taking these supplements. Since there were no ingredient labels on the supplements, we identified the active ingredients using direct analysis in real time–mass spectrometry (DART–MS), direct exposure probe–MS (DEP–MS), and liquid chromatography–MS (LC–MS). DART–MS gives exact molecular weights and DEP–MS shows the fragmentation of a molecule by electron ionization. Analyses using these two instruments are rapid and do not require extraction of the sample. The compounds predicted by DART–MS and DEP–MS were confirmed by LC–MS and the active ingredients of the seven dietary supplements were identified.\n
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\n \n\n \n \n \n \n \n Pro-Inflammatory Enzymes, Cyclooxygenase 1, Cyclooxygenase 2, and 5-Lipooxygenase, Inhibited by Stabilized Rice Bran Extracts.\n \n \n \n\n\n \n Roschek Jr., B.; Fink, R. C.; Li, D.; McMichael, M.; Tower, C. M.; Smith, R. D.; and Alberte, R. S.\n\n\n \n\n\n\n Journal of Medicinal Food, 12(3): 615–623. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{roschek_jr._pro-inflammatory_2009,\n\ttitle = {Pro-{Inflammatory} {Enzymes}, {Cyclooxygenase} 1, {Cyclooxygenase} 2, and 5-{Lipooxygenase}, {Inhibited} by {Stabilized} {Rice} {Bran} {Extracts}},\n\tvolume = {12},\n\tdoi = {10.1089=jmf.2008.0133},\n\tabstract = {Rice bran, the outer bran and germ of the kernel and a by-product of rice milling, is rich in phytonutrients but\nhas been underutilized because of lipid content instability. New methods for the processing of rice bran have yielded a\nstabilized form that is increasingly used in foods and dietary supplements. Recent studies have documented a role for\nstabilized rice bran (SRB) in treating diabetes and arthritis, although little is known of the bioactive compounds that impart\nthese health benefits. Here we characterize the chemical composition of three extracts of SRB and identify the functional\nbioactives contributing to the inhibitory properties against three key pro-inflammatory enzymes (cyclooxygenase [COX] 1,\nCOX2, and 5-lipoxygenase [5-LOX]) that control the inflammatory cascade involved in impaired joint health, pain, and\narthritis. One extract (SRB-AI) demonstrated significant COX1 and COX2 inhibitory activities with 50\\% inhibitory concentration\n(IC50) values for COX1 and COX2 of 305 and 29 mg=mL, respectively, but no 5-LOX inhibition. The second\nextract (SRB-AII) inhibited COX1, COX2, and 5-LOX with IC50 values of 310, 19, and 396 mg=mL, respectively. The third\nextract (SRB-AIII), a blend of SRB-AI and SRB-AIII, inhibited COX1, COX2, and 5-LOX with respective IC50 values of 48,\n11, and 197 mg=mL. Analysis of the extracts by direct analysis in real time time of flight-mass spectrometry revealed that\nSRB-AI, SRB-AII, and SRB-AIII contain over 620, 770, and 810 compounds, respectively. Of these, 17 were identified as key\nbioactives for COX and=or LOX inhibition. These SRB extracts have applications for functional foods and dietary supplements\nfor control of inflammation and joint health.},\n\tnumber = {3},\n\tjournal = {Journal of Medicinal Food},\n\tauthor = {Roschek Jr., Bill and Fink, Ryan C. and Li, Dan and McMichael, Matthew and Tower, Christine M. and Smith, Robert D. and Alberte, Randall S.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {615--623},\n}\n\n\n\n
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\n Rice bran, the outer bran and germ of the kernel and a by-product of rice milling, is rich in phytonutrients but has been underutilized because of lipid content instability. New methods for the processing of rice bran have yielded a stabilized form that is increasingly used in foods and dietary supplements. Recent studies have documented a role for stabilized rice bran (SRB) in treating diabetes and arthritis, although little is known of the bioactive compounds that impart these health benefits. Here we characterize the chemical composition of three extracts of SRB and identify the functional bioactives contributing to the inhibitory properties against three key pro-inflammatory enzymes (cyclooxygenase [COX] 1, COX2, and 5-lipoxygenase [5-LOX]) that control the inflammatory cascade involved in impaired joint health, pain, and arthritis. One extract (SRB-AI) demonstrated significant COX1 and COX2 inhibitory activities with 50% inhibitory concentration (IC50) values for COX1 and COX2 of 305 and 29 mg=mL, respectively, but no 5-LOX inhibition. The second extract (SRB-AII) inhibited COX1, COX2, and 5-LOX with IC50 values of 310, 19, and 396 mg=mL, respectively. The third extract (SRB-AIII), a blend of SRB-AI and SRB-AIII, inhibited COX1, COX2, and 5-LOX with respective IC50 values of 48, 11, and 197 mg=mL. Analysis of the extracts by direct analysis in real time time of flight-mass spectrometry revealed that SRB-AI, SRB-AII, and SRB-AIII contain over 620, 770, and 810 compounds, respectively. Of these, 17 were identified as key bioactives for COX and=or LOX inhibition. These SRB extracts have applications for functional foods and dietary supplements for control of inflammation and joint health.\n
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\n \n\n \n \n \n \n \n \"Soft\" or \"hard\" ionisation? Investigation of metastable gas temperature effect on direct analysis in real-time analysis of Voriconazole.\n \n \n \n\n\n \n Lapthorn, C.; and Pullen, F.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 15(5): 587–593. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{lapthorn_soft_2009,\n\ttitle = {"{Soft}" or "hard" ionisation? {Investigation} of metastable gas temperature effect on direct analysis in real-time analysis of {Voriconazole}},\n\tvolume = {15},\n\tissn = {1469-0667},\n\tdoi = {10.1255/ejms.1022},\n\tabstract = {The performance of the direct analysis in real-time (DART) technique was evaluated across a range of metastable gas temperatures for a pharmaceutical compound, Voriconazole, in order to investigate the effect of metastable gas temperature on molecular ion intensity and fragmentation. The DART source has been used to analyse a range of analytes and from a range of matrices including drugs in solid tablet form and preparations, active ingredients in ointment, naturally occurring plant alkaloids, flavours and fragrances, from thin layer chromatography (TLC) plates, melting point tubes and biological matrices including hair, urine and blood. The advantages of this technique include rapid analysis time (as little as 5 s), a reduction in sample preparation requirements, elimination of mobile phase requirement and analysis of samples not typically amenable to atmospheric pressure ionisation (API) techniques. This technology has therefore been proposed as an everyday tool for identification of components in crude organic reaction mixtures.},\n\tnumber = {5},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Lapthorn, Cris and Pullen, Frank},\n\tyear = {2009},\n\tkeywords = {Waters Quad},\n\tpages = {587--593},\n}\n\n\n\n
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\n The performance of the direct analysis in real-time (DART) technique was evaluated across a range of metastable gas temperatures for a pharmaceutical compound, Voriconazole, in order to investigate the effect of metastable gas temperature on molecular ion intensity and fragmentation. The DART source has been used to analyse a range of analytes and from a range of matrices including drugs in solid tablet form and preparations, active ingredients in ointment, naturally occurring plant alkaloids, flavours and fragrances, from thin layer chromatography (TLC) plates, melting point tubes and biological matrices including hair, urine and blood. The advantages of this technique include rapid analysis time (as little as 5 s), a reduction in sample preparation requirements, elimination of mobile phase requirement and analysis of samples not typically amenable to atmospheric pressure ionisation (API) techniques. This technology has therefore been proposed as an everyday tool for identification of components in crude organic reaction mixtures.\n
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\n \n\n \n \n \n \n \n Eucalypt smoke and wildfires: Temperature dependent emissions of biogenic volatile organic compounds.\n \n \n \n\n\n \n Maleknia, S.; Bell, T.; and Adam, M.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 279(2-3): 126–133. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{maleknia_eucalypt_2009,\n\ttitle = {Eucalypt smoke and wildfires: {Temperature} dependent emissions of biogenic volatile organic compounds},\n\tvolume = {279},\n\tabstract = {Eucalypt contributions to biogenic sources of volatile organic compounds (VOCs) in Australia are estimated at teragram (Tg = 1012 g) amounts each year. Biogenic VOCs include plant-specific isoprenoids (isoprene and a range of terpenes) and other reactive organic compounds (i.e., acids, aldehydes and ketones). Atmospheric reactions of VOCs are numerous and many have significant environmental impact. Wildfires\nincrease both the amounts of VOCs released and the complexity of their reactions. Proton-transfer reaction mass spectrometry (PTR-MS), gas chromatography mass spectrometry (GCMS) and direct analysis in real time (DART) mass spectrometry were applied to analyze release of VOCs as a function of temperatures ranging from ambient to combustion. PTR-MS enabled trace level analysis of VOCs from a complex\nforest atmosphere and revealed the release of terpenes associated with leaf damage during a storm. Temperature profile studies revealed ion abundances (i.e., emissions of VOCs) could be correlated with boiling points and vapor pressures of specific compounds. PTR-MS analysis of VOCs resulting from heating fresh leaf (E. grandis) material suggested that emissions of protonated methanol (m/z 33) and protonated\nacetaldehyde (m/z 45) were greatest at {\\textasciitilde}60 ◦C while m/z 137 and 153 (associated with a series of terpenes) showed monotonic increases in ion abundance over a wide temperature range from ambient to 200 ◦C. GCMS analysis of fresh and senescent leaves of E. grandis showed that a series of VOCs (ethylvinylketone, diethylketone, 2-ethylfuran, hexanal and hexenals) are present only in fresh leaves while several terpenes ( and  pinenes, -phellandrene, eucalyptol, -terpinene) were common in both. DART analysis of fresh leaf and stem of E. sideroxylon identified tissue-specific VOCs (e.g., methanol and ethanol were more abundant in stems). PTR-MS combustion studies of senescent leaves (E. grandis) identified two distinct, temperature-dependent VOC compositions. Before the appearance of smoke, the composition of VOCs remained consistent and correlated well with various naturally occurring isoprenoids, as observed in temperature profile studies. Sampling of eucalypt smoke suggested ions (m/z 75, 85, 87, 99, 111 and 125) correlated with protonated mass of oxygenated aldehydes, ketones, furans and substituted benzenes, and were due to pyrolysis of polycarbohydrates (cellulose and lignin) that are common in many types of wood.},\n\tnumber = {2-3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Maleknia, S.D. and Bell, T.L. and Adam, M.A.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {126--133},\n}\n\n\n\n
\n
\n\n\n
\n Eucalypt contributions to biogenic sources of volatile organic compounds (VOCs) in Australia are estimated at teragram (Tg = 1012 g) amounts each year. Biogenic VOCs include plant-specific isoprenoids (isoprene and a range of terpenes) and other reactive organic compounds (i.e., acids, aldehydes and ketones). Atmospheric reactions of VOCs are numerous and many have significant environmental impact. Wildfires increase both the amounts of VOCs released and the complexity of their reactions. Proton-transfer reaction mass spectrometry (PTR-MS), gas chromatography mass spectrometry (GCMS) and direct analysis in real time (DART) mass spectrometry were applied to analyze release of VOCs as a function of temperatures ranging from ambient to combustion. PTR-MS enabled trace level analysis of VOCs from a complex forest atmosphere and revealed the release of terpenes associated with leaf damage during a storm. Temperature profile studies revealed ion abundances (i.e., emissions of VOCs) could be correlated with boiling points and vapor pressures of specific compounds. PTR-MS analysis of VOCs resulting from heating fresh leaf (E. grandis) material suggested that emissions of protonated methanol (m/z 33) and protonated acetaldehyde (m/z 45) were greatest at ~60 ◦C while m/z 137 and 153 (associated with a series of terpenes) showed monotonic increases in ion abundance over a wide temperature range from ambient to 200 ◦C. GCMS analysis of fresh and senescent leaves of E. grandis showed that a series of VOCs (ethylvinylketone, diethylketone, 2-ethylfuran, hexanal and hexenals) are present only in fresh leaves while several terpenes ( and pinenes, -phellandrene, eucalyptol, -terpinene) were common in both. DART analysis of fresh leaf and stem of E. sideroxylon identified tissue-specific VOCs (e.g., methanol and ethanol were more abundant in stems). PTR-MS combustion studies of senescent leaves (E. grandis) identified two distinct, temperature-dependent VOC compositions. Before the appearance of smoke, the composition of VOCs remained consistent and correlated well with various naturally occurring isoprenoids, as observed in temperature profile studies. Sampling of eucalypt smoke suggested ions (m/z 75, 85, 87, 99, 111 and 125) correlated with protonated mass of oxygenated aldehydes, ketones, furans and substituted benzenes, and were due to pyrolysis of polycarbohydrates (cellulose and lignin) that are common in many types of wood.\n
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\n \n\n \n \n \n \n \n Rapid and nondestructive analysis of phthalic acid esters in toys made of poly(vinyl chloride) by direct analysis in real time single-quadrupole mass spectrometry.\n \n \n \n\n\n \n Rothenbacher, T.; and Schwack, W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 23(17): 2829–2835. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{rothenbacher_rapid_2009,\n\ttitle = {Rapid and nondestructive analysis of phthalic acid esters in toys made of poly(vinyl chloride) by direct analysis in real time single-quadrupole mass spectrometry},\n\tvolume = {23},\n\tissn = {1097-0231},\n\tabstract = {In the European Community, selected phthalic acid esters (PAE) are restricted in their use for the manufacture of toys and childcare articles to a content of 0.1\\% by weight. As PAE are mainly used as plasticisers for poly(vinyl chloride) (PVC), a rapid screening method for PVC samples with direct analysis in real time ionisation and single-quadrupole mass spectrometry (DART-MS) was developed. Using the ions for the protonated molecules, a limit of detection (LOD) of 0.05\\% was obtained for benzyl butyl phthalate, bis(2-ethylhexyl) phthalate and diisononyl phthalate, while for dibutyl phthalate, di-n-octyl phthalate and diisodecyl phthalate the LOD was 0.1\\%. Validation of identification by the presence of ammonium adducts and characteristic fragment ions was possible to a content of ge1\\% for all PAE, except for benzyl butyl phthalate (ge5\\%). Based on the fragment ions, bis(2-ethylhexyl) phthalate could clearly be distinguished from di-n-octyl phthalate, if the concentrations were ge5\\% and ge1\\% at measured DART helium temperatures of 130 and 310°C, respectively. The complete analysis of one sample only took about 8 min. At the generally used gas temperature of 130°C, most toy and childcare samples did not sustain damage if their shape fitted into the DART source.},\n\tnumber = {17},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rothenbacher, Thorsten and Schwack, Wolfgang},\n\tyear = {2009},\n\tkeywords = {Agilent Quad},\n\tpages = {2829--2835},\n}\n\n\n\n
\n
\n\n\n
\n In the European Community, selected phthalic acid esters (PAE) are restricted in their use for the manufacture of toys and childcare articles to a content of 0.1% by weight. As PAE are mainly used as plasticisers for poly(vinyl chloride) (PVC), a rapid screening method for PVC samples with direct analysis in real time ionisation and single-quadrupole mass spectrometry (DART-MS) was developed. Using the ions for the protonated molecules, a limit of detection (LOD) of 0.05% was obtained for benzyl butyl phthalate, bis(2-ethylhexyl) phthalate and diisononyl phthalate, while for dibutyl phthalate, di-n-octyl phthalate and diisodecyl phthalate the LOD was 0.1%. Validation of identification by the presence of ammonium adducts and characteristic fragment ions was possible to a content of ge1% for all PAE, except for benzyl butyl phthalate (ge5%). Based on the fragment ions, bis(2-ethylhexyl) phthalate could clearly be distinguished from di-n-octyl phthalate, if the concentrations were ge5% and ge1% at measured DART helium temperatures of 130 and 310°C, respectively. The complete analysis of one sample only took about 8 min. At the generally used gas temperature of 130°C, most toy and childcare samples did not sustain damage if their shape fitted into the DART source.\n
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\n \n\n \n \n \n \n \n \n An Improved Protocol for the Analysis of Alcohols by Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Nilles, J.; and Connell, T.\n\n\n \n\n\n\n American Laboratory, 41(7): 25–27. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramee_improved_2009,\n\ttitle = {An {Improved} {Protocol} for the {Analysis} of {Alcohols} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {41},\n\turl = {http://www.americanlaboratory.com/914-Application-Notes/673-An-Improved-Protocol-for-the-Analysis-of-Alcohols-by-Direct-Analysis-in-Real-Time-Mass-Spectrometry/},\n\tabstract = {It was previously reported1 that when Direct Analysis in Real Time (DART™) (JEOL USA, Inc., Peabody, MA) mass spectrometry was applied to the analysis of very pure alcohols, their mass spectra were unexpectedly complicated. The plethora of peaks was found to be a DART-induced artifact that resulted from the open-air nature of the technique. This problem was solved by converting the alcohol into its corresponding carbamate via an N-hydro-C-alkoxy-addition reaction (reaction 1) with phenyl isocyanate:\n\nROH + C6H5NCO → RO−C(O)NHC6H5 (1)\n\nAlthough this reaction conveniently allows alcohols to be DART’ed, the reaction time ranges from 1 to 16 hr. This obviously led the authors to test the hypothesis that shorter reaction times can be achieved by using activated phenyl isocyanates with proper ring substitution. It is now timely to report these results.},\n\tnumber = {7},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D. and Nilles, J.M. and Connell, T.R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {25--27},\n}\n\n\n\n
\n
\n\n\n
\n It was previously reported1 that when Direct Analysis in Real Time (DART™) (JEOL USA, Inc., Peabody, MA) mass spectrometry was applied to the analysis of very pure alcohols, their mass spectra were unexpectedly complicated. The plethora of peaks was found to be a DART-induced artifact that resulted from the open-air nature of the technique. This problem was solved by converting the alcohol into its corresponding carbamate via an N-hydro-C-alkoxy-addition reaction (reaction 1) with phenyl isocyanate: ROH + C6H5NCO → RO−C(O)NHC6H5 (1) Although this reaction conveniently allows alcohols to be DART’ed, the reaction time ranges from 1 to 16 hr. This obviously led the authors to test the hypothesis that shorter reaction times can be achieved by using activated phenyl isocyanates with proper ring substitution. It is now timely to report these results.\n
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\n \n\n \n \n \n \n \n \n Detection of Gamma-Hydroxybutyric Acid in Various Drink Matrices via AccuTOF-DART*.\n \n \n \n \n\n\n \n Bennett, M. J.; and Steiner, R. R.\n\n\n \n\n\n\n Journal of Forensic Sciences, 54(2): 370–375. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{bennett_detection_2009,\n\ttitle = {Detection of {Gamma}-{Hydroxybutyric} {Acid} in {Various} {Drink} {Matrices} via {AccuTOF}-{DART}*},\n\tvolume = {54},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2008.00955.x},\n\tdoi = {10.1111/j.1556-4029.2008.00955.x},\n\tabstract = {Abstract:  A new screening method for detecting gamma-hydroxybutyric acid (GHB) in drink matrices, using the IonSense, Inc. (Saugus, MA) direct analysis in real time (DART) ion source coupled to a JEOL exact mass time-of-flight mass spectrometer (AccuTOF), was validated and compared with the current screening methodology. The DART ion source allows for analysis of samples under ambient conditions with little to no sample preparation. Fifty drink specimens were spiked at levels of 1, 2, 3, and 4 mg/mL GHB, and analyzed on the AccuTOF-DART. Positive detection of GHB occurred for each of the samples at each concentration level, giving 100\\% accuracy for the samples tested. Twenty-five of the 50 drink specimens were spiked at 1 mg/mL GHB and tested using a color test known as the GHB Color Test \\#3. Only two of these 25 specimens tested positive for the presence of GHB, giving only 8\\% accuracy. Implementation of this new methodology as a screening tool for GHB analysis will quickly eliminate negative specimens allowing the examiner to focus analysis time on those that screened positive.},\n\tnumber = {2},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Bennett, Mark J. and Steiner, Robert R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF, Direct analysis in real time, Screening, controlled substances, forensic science, gamma-hydroxybutyrate, gamma-hydroxybutyric acid, mass spectrometry, time of flight},\n\tpages = {370--375},\n}\n\n\n\n
\n
\n\n\n
\n Abstract:  A new screening method for detecting gamma-hydroxybutyric acid (GHB) in drink matrices, using the IonSense, Inc. (Saugus, MA) direct analysis in real time (DART) ion source coupled to a JEOL exact mass time-of-flight mass spectrometer (AccuTOF), was validated and compared with the current screening methodology. The DART ion source allows for analysis of samples under ambient conditions with little to no sample preparation. Fifty drink specimens were spiked at levels of 1, 2, 3, and 4 mg/mL GHB, and analyzed on the AccuTOF-DART. Positive detection of GHB occurred for each of the samples at each concentration level, giving 100% accuracy for the samples tested. Twenty-five of the 50 drink specimens were spiked at 1 mg/mL GHB and tested using a color test known as the GHB Color Test #3. Only two of these 25 specimens tested positive for the presence of GHB, giving only 8% accuracy. Implementation of this new methodology as a screening tool for GHB analysis will quickly eliminate negative specimens allowing the examiner to focus analysis time on those that screened positive.\n
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\n \n\n \n \n \n \n \n \n Quantitation of Chemical Warfare Agents Using the Direct Analysis in Real Time (DART) Technique.\n \n \n \n \n\n\n \n Nilles, J. M.; Connell, T. R.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 81(16): 6744–6749. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nilles_quantitation_2009,\n\ttitle = {Quantitation of {Chemical} {Warfare} {Agents} {Using} the {Direct} {Analysis} in {Real} {Time} ({DART}) {Technique}},\n\tvolume = {81},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac900682f},\n\tdoi = {10.1021/ac900682f},\n\tabstract = {Direct analysis in real time (DART) is an ion source that permits rapid mass spectrometric detection of gases, liquids, and solids in open air under ambient conditions. It is a unique technology in the field of chemical weapons detectors in that it does not require a vapor pressure, does not require sample preparation, and is nondestructive to the original sample. While the DART technique has had success as a first line instrument of detection, there have been lingering doubts over the technique’s quantitative reliability and reproducibility. Here, we demonstrate its capability to produce linear calibration curves (R2 = 0.99 or better) for the nerve agents GA, GB, and VX as well as the blister agent HD. Independently prepared check standards measured against these curves typically have recovery errors less than 3\\%. We show the DART instrument response to be linear over roughly 3 orders of magnitude. Furthermore, this study shows that averaging as few as three measurements for each data point is sufficient to produce high quality calibration curves, thus reducing data collection time and providing quicker results.},\n\tnumber = {16},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nilles, J. Michael and Connell, Theresa R. and Durst, H. Dupont},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {6744--6749},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is an ion source that permits rapid mass spectrometric detection of gases, liquids, and solids in open air under ambient conditions. It is a unique technology in the field of chemical weapons detectors in that it does not require a vapor pressure, does not require sample preparation, and is nondestructive to the original sample. While the DART technique has had success as a first line instrument of detection, there have been lingering doubts over the technique’s quantitative reliability and reproducibility. Here, we demonstrate its capability to produce linear calibration curves (R2 = 0.99 or better) for the nerve agents GA, GB, and VX as well as the blister agent HD. Independently prepared check standards measured against these curves typically have recovery errors less than 3%. We show the DART instrument response to be linear over roughly 3 orders of magnitude. Furthermore, this study shows that averaging as few as three measurements for each data point is sufficient to produce high quality calibration curves, thus reducing data collection time and providing quicker results.\n
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\n \n\n \n \n \n \n \n Combining Two-Dimensional Diffusion-Ordered Nuclear Magnetic Resonance Spectroscopy, Imaging Desorption Electrospray Ionization Mass Spectrometry, and Direct Analysis in Real-Time Mass Spectrometry for the Integral Investigation of Counterfeit Pharmaceuticals.\n \n \n \n\n\n \n Nyadong, L.; Harris, G. A.; Balayssac, S.; Galhena, A. S.; Malet-Martino, M.; Martino, R.; Parry, R. M.; Wang, M. D.; Fernández, F. M.; and Gilard, V.\n\n\n \n\n\n\n Analytical Chemistry, 81(12): 4803–4812. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nyadong_combining_2009,\n\ttitle = {Combining {Two}-{Dimensional} {Diffusion}-{Ordered} {Nuclear} {Magnetic} {Resonance} {Spectroscopy}, {Imaging} {Desorption} {Electrospray} {Ionization} {Mass} {Spectrometry}, and {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry} for the {Integral} {Investigation} of {Counterfeit} {Pharmaceuticals}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tabstract = {During the past decade, there has been a marked increase in the number of reported cases involving counterfeit medicines in developing and developed countries. Particularly, artesunate-based antimalarial drugs have been targeted, because of their high demand and cost. Counterfeit antimalarials can cause death and can contribute to the growing problem of drug resistance, particularly in southeast Asia. In this study, the complementarity of two-dimensional diffusion-ordered 1H nuclear magnetic resonance spectroscopy (2D DOSY 1H NMR) with direct analysis in real-time mass spectrometry (DART MS) and desorption electrospray ionization mass spectrometry (DESI MS) was assessed for pharmaceutical forensic purposes. Fourteen different artesunate tablets, representative of what can be purchased from informal sources in southeast Asia, were investigated with these techniques. The expected active pharmaceutical ingredient was detected in only five formulations via both nuclear magnetic resonance (NMR) and mass spectrometry (MS) methods. Common organic excipients such as sucrose, lactose, stearate, dextrin, and starch were also detected. The graphical representation of DOSY 1H NMR results proved very useful for establishing similarities among groups of samples, enabling counterfeit drug “chemotyping”. In addition to bulk- and surface-average analyses, spatially resolved information on the surface composition of counterfeit and genuine antimalarial formulations was obtained using DESI MS that was performed in the imaging mode, which enabled one to visualize the homogeneity of both genuine and counterfeit drug samples. Overall, this study suggests that 2D DOSY 1H NMR, combined with ambient MS, comprises a powerful suite of instrumental analysis methodologies for the integral characterization of counterfeit antimalarials.},\n\tnumber = {12},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nyadong, Leonard and Harris, Glenn A. and Balayssac, Stephane and Galhena, Asiri S. and Malet-Martino, Myriam and Martino, Robert and Parry, R. Mitchell and Wang, May Dongmei and Fernández, Facundo M. and Gilard, Veronique},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {4803--4812},\n}\n\n\n\n
\n
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\n During the past decade, there has been a marked increase in the number of reported cases involving counterfeit medicines in developing and developed countries. Particularly, artesunate-based antimalarial drugs have been targeted, because of their high demand and cost. Counterfeit antimalarials can cause death and can contribute to the growing problem of drug resistance, particularly in southeast Asia. In this study, the complementarity of two-dimensional diffusion-ordered 1H nuclear magnetic resonance spectroscopy (2D DOSY 1H NMR) with direct analysis in real-time mass spectrometry (DART MS) and desorption electrospray ionization mass spectrometry (DESI MS) was assessed for pharmaceutical forensic purposes. Fourteen different artesunate tablets, representative of what can be purchased from informal sources in southeast Asia, were investigated with these techniques. The expected active pharmaceutical ingredient was detected in only five formulations via both nuclear magnetic resonance (NMR) and mass spectrometry (MS) methods. Common organic excipients such as sucrose, lactose, stearate, dextrin, and starch were also detected. The graphical representation of DOSY 1H NMR results proved very useful for establishing similarities among groups of samples, enabling counterfeit drug “chemotyping”. In addition to bulk- and surface-average analyses, spatially resolved information on the surface composition of counterfeit and genuine antimalarial formulations was obtained using DESI MS that was performed in the imaging mode, which enabled one to visualize the homogeneity of both genuine and counterfeit drug samples. Overall, this study suggests that 2D DOSY 1H NMR, combined with ambient MS, comprises a powerful suite of instrumental analysis methodologies for the integral characterization of counterfeit antimalarials.\n
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\n \n\n \n \n \n \n \n NADP+-dependent farnesol dehydrogenase, a corpora allata enzyme involved in juvenile hormone synthesis.\n \n \n \n\n\n \n Mayoral, J. G.; Nouzova, M.; Navare, A.; and Noriega, F. G.\n\n\n \n\n\n\n Proceedings of the National Academy of Sciences, 106(50): 21091–21096. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{mayoral_nadp+-dependent_2009,\n\ttitle = {{NADP}+-dependent farnesol dehydrogenase, a corpora allata enzyme involved in juvenile hormone synthesis},\n\tvolume = {106},\n\tdoi = {10.1073/pnas.0909938106},\n\tabstract = {The synthesis of juvenile hormone (JH) is an attractive target for control of insect pests and vectors of disease, but the minute size of the corpora allata (CA), the glands that synthesize JH, has made it difficult to identify important biosynthetic enzymes by classical biochemical approaches. Here, we report identification and characterization of an insect farnesol dehydrogenase (SDR-1) that oxidizes farnesol into farnesal, a precursor of JH, in the CA. SDR-1 was isolated as an EST in a library of the corpora allata-corpora cardiaca of the mosquito . The 245-amino acid protein presents the typical short-chain dehydrogenase (SDR) Rossmann-fold motif for nucleotide binding. This feature, together with other conserved sequence motifs, place SDR-1 into the “classical” NADP-dependent cP2 SDR subfamily. The gene is part of a group of highly conserved paralogs that cluster together in the mosquito genome; similar clusters of orthologs were found in other insect species. SDR-1 acts as a homodimer and efficiently oxidizes C to C isoprenoid and aliphatic alcohols, showing the highest affinity for the conversion of farnesol into farnesal. Farnesol dehydrogenase activity was not detected in the CA of newly emerged mosquitoes but significant activity was detected 24 h later. Real time PCR experiments revealed that SDR-1 mRNA levels were very low in the inactive CA of the newly emerged female, but increased {\\textgreater}30-fold 24 h later during the peak of JH synthesis. These results suggest that oxidation of farnesol might be a rate-limiting step in JH III synthesis in adult mosquitoes.},\n\tnumber = {50},\n\tjournal = {Proceedings of the National Academy of Sciences},\n\tauthor = {Mayoral, Jaime G. and Nouzova, Marcela and Navare, Arti and Noriega, Fernando G.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {21091--21096},\n}\n\n\n\n
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\n The synthesis of juvenile hormone (JH) is an attractive target for control of insect pests and vectors of disease, but the minute size of the corpora allata (CA), the glands that synthesize JH, has made it difficult to identify important biosynthetic enzymes by classical biochemical approaches. Here, we report identification and characterization of an insect farnesol dehydrogenase (SDR-1) that oxidizes farnesol into farnesal, a precursor of JH, in the CA. SDR-1 was isolated as an EST in a library of the corpora allata-corpora cardiaca of the mosquito . The 245-amino acid protein presents the typical short-chain dehydrogenase (SDR) Rossmann-fold motif for nucleotide binding. This feature, together with other conserved sequence motifs, place SDR-1 into the “classical” NADP-dependent cP2 SDR subfamily. The gene is part of a group of highly conserved paralogs that cluster together in the mosquito genome; similar clusters of orthologs were found in other insect species. SDR-1 acts as a homodimer and efficiently oxidizes C to C isoprenoid and aliphatic alcohols, showing the highest affinity for the conversion of farnesol into farnesal. Farnesol dehydrogenase activity was not detected in the CA of newly emerged mosquitoes but significant activity was detected 24 h later. Real time PCR experiments revealed that SDR-1 mRNA levels were very low in the inactive CA of the newly emerged female, but increased \\textgreater30-fold 24 h later during the peak of JH synthesis. These results suggest that oxidation of farnesol might be a rate-limiting step in JH III synthesis in adult mosquitoes.\n
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\n \n\n \n \n \n \n \n Simple and Rapid Screening for Psychotropic Natural Products Using Direct Analysis in Real Time (DART)-TOFMS.\n \n \n \n\n\n \n Kawamura, M.; Kikura-Hanajiri, R.; and Goda, Y.\n\n\n \n\n\n\n Yakugaku Zasshi, 129: 719–725. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{kawamura_simple_2009,\n\ttitle = {Simple and {Rapid} {Screening} for {Psychotropic} {Natural} {Products} {Using} {Direct} {Analysis} in {Real} {Time} ({DART})-{TOFMS}},\n\tvolume = {129},\n\tdoi = {10.1248/yakushi.129.719},\n\tabstract = {Direct Analysis in Real Time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. To investigate the trend of non-controlled psychotropic plants of abuse in Japan, a rapid screening method, without sample preparation, was developed using DART-time of flight mass spectrometer (TOFMS) for plant products. The major psychotropic constituents of these products were determined using liquid chromatography-mass spectrometry (LC/MS). As a result of the DART-TOFMS analyses of 36 products, the protonated molecular ions [M+H]+, corresponding to 6 kinds of major hallucinogenic constituents (mescaline, salvinorin A, N,N-dimethyltryptamine, harmine, harmaline and lysergamide), were detected in 21 products. It was possible to estimate their accurate elemental compositions through exact mass measurements. These results were consistent with those of the LC/MS analyses and the contents of the 6 psychotropic constituents were in the range from 0.05 to 45 μg/mg. Typical controlled narcotic drugs, tetrahydrocannabinol, opioid alkaloids and psilocin were also directly detected in marijuana cigarette, opium gum and magic mushroom respectively. Although it is difficult to estimate the matrix effects caused by other plant ingredients, the DART-TOFMS could be useful as a simple and rapid screening method for the targeted psychotropic natural products, because it provides the molecular information of the target compounds without time-consuming extraction and pre-treatment steps.},\n\tjournal = {Yakugaku Zasshi},\n\tauthor = {Kawamura, M. and Kikura-Hanajiri, R. and Goda, Y.},\n\tyear = {2009},\n\tkeywords = {DART; AccuTOF, Direct Analysis in Real Time (DART); TOFMS; LC/MS; psychotropic plants},\n\tpages = {719--725},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. To investigate the trend of non-controlled psychotropic plants of abuse in Japan, a rapid screening method, without sample preparation, was developed using DART-time of flight mass spectrometer (TOFMS) for plant products. The major psychotropic constituents of these products were determined using liquid chromatography-mass spectrometry (LC/MS). As a result of the DART-TOFMS analyses of 36 products, the protonated molecular ions [M+H]+, corresponding to 6 kinds of major hallucinogenic constituents (mescaline, salvinorin A, N,N-dimethyltryptamine, harmine, harmaline and lysergamide), were detected in 21 products. It was possible to estimate their accurate elemental compositions through exact mass measurements. These results were consistent with those of the LC/MS analyses and the contents of the 6 psychotropic constituents were in the range from 0.05 to 45 μg/mg. Typical controlled narcotic drugs, tetrahydrocannabinol, opioid alkaloids and psilocin were also directly detected in marijuana cigarette, opium gum and magic mushroom respectively. Although it is difficult to estimate the matrix effects caused by other plant ingredients, the DART-TOFMS could be useful as a simple and rapid screening method for the targeted psychotropic natural products, because it provides the molecular information of the target compounds without time-consuming extraction and pre-treatment steps.\n
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\n \n\n \n \n \n \n \n The Observation of Molecular Ions and Analysis of Nonpolar Compounds with the Direct Analysis in Real Time Ion Source.\n \n \n \n\n\n \n Cody, R. B.\n\n\n \n\n\n\n Analytical Chemistry, 81(3): 1101–1107. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cody_observation_2009,\n\ttitle = {The {Observation} of {Molecular} {Ions} and {Analysis} of {Nonpolar} {Compounds} with the {Direct} {Analysis} in {Real} {Time} {Ion} {Source}},\n\tvolume = {81},\n\tdoi = {10.1021/ac8022108},\n\tabstract = {Positive ions in the direct analysis in real time (DART) ion source are commonly formed by proton transfer. However, the DART source is similar to atmospheric pressure photoionization (APPI) in that it can produce molecular ions as well as protonated molecules, although the two sources differ in the initial ion formation process. This report discusses some of the factors that influence molecular ion formation in DART and shows how the DART source can be used to analyze “difficult” or nonpolar compounds such as alkanes and cholesterol. Trace reagent ions including NO+ and O2+· formed from atmospheric gases are shown to play important roles in DART ionization. The use of the DART source as a gas chromatography/mass spectrometry (GC/MS) interface is demonstrated to show the difference between mass spectra obtained using conditions that favor proton transfer and those that favor molecular ion formation.},\n\tnumber = {3},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Cody, R. B.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1101--1107},\n}\n\n\n\n
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\n Positive ions in the direct analysis in real time (DART) ion source are commonly formed by proton transfer. However, the DART source is similar to atmospheric pressure photoionization (APPI) in that it can produce molecular ions as well as protonated molecules, although the two sources differ in the initial ion formation process. This report discusses some of the factors that influence molecular ion formation in DART and shows how the DART source can be used to analyze “difficult” or nonpolar compounds such as alkanes and cholesterol. Trace reagent ions including NO+ and O2+· formed from atmospheric gases are shown to play important roles in DART ionization. The use of the DART source as a gas chromatography/mass spectrometry (GC/MS) interface is demonstrated to show the difference between mass spectra obtained using conditions that favor proton transfer and those that favor molecular ion formation.\n
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\n \n\n \n \n \n \n \n Ambient Mass Spectrometric Detection of Organometallic Compounds Using Direct Analysis in Real Time.\n \n \n \n\n\n \n Borges, D.; Sturgeon, R.; Welz, B.; Curtius, A.; and Mester, Z.\n\n\n \n\n\n\n Analytical Chemistry, 81(23): 9834–9839. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{borges_ambient_2009,\n\ttitle = {Ambient {Mass} {Spectrometric} {Detection} of {Organometallic} {Compounds} {Using} {Direct} {Analysis} in {Real} {Time}},\n\tvolume = {81},\n\tdoi = {10.1021/ac901778n},\n\tabstract = {The present work describes the mass spectrometric detection of organometallic compounds following their atmospheric pressure ionization using a commercial direct analysis in real time (DART) ion source. Several organometallic compounds of As, Fe, Hg, Pb, Se, and Sn were examined, and their corresponding mass spectra as well as induced fragmentation patterns were recorded. Gas phase sampling of the pure organometallic compounds or their solutions prepared in toluene generated temporally stable signals. For the majority of the compounds, the molecular ion or protonated molecule was detected; noticeable exceptions are the tetra-substituted compounds for which their less-substituted species dominated. The organometallic species were used as model compounds for a systematic investigation of the impact of operating parameters of the DART source, including gas temperature and electrode voltages. In general, results have shown that powering the electrodes designed to remove ions from the DART gas stream results in a reduction in signal intensity for most of the compounds investigated, suggesting that charged species from the plasma play an important role in the ionization process of the test analytes.},\n\tnumber = {23},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Borges, D.L.G. and Sturgeon, R.E. and Welz, B. and Curtius, A.J. and Mester, Z.},\n\tyear = {2009},\n\tkeywords = {Thermo LTQ},\n\tpages = {9834--9839},\n}\n\n\n\n
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\n\n\n
\n The present work describes the mass spectrometric detection of organometallic compounds following their atmospheric pressure ionization using a commercial direct analysis in real time (DART) ion source. Several organometallic compounds of As, Fe, Hg, Pb, Se, and Sn were examined, and their corresponding mass spectra as well as induced fragmentation patterns were recorded. Gas phase sampling of the pure organometallic compounds or their solutions prepared in toluene generated temporally stable signals. For the majority of the compounds, the molecular ion or protonated molecule was detected; noticeable exceptions are the tetra-substituted compounds for which their less-substituted species dominated. The organometallic species were used as model compounds for a systematic investigation of the impact of operating parameters of the DART source, including gas temperature and electrode voltages. In general, results have shown that powering the electrodes designed to remove ions from the DART gas stream results in a reduction in signal intensity for most of the compounds investigated, suggesting that charged species from the plasma play an important role in the ionization process of the test analytes.\n
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\n \n\n \n \n \n \n \n Identification of a cannabimimetic indole as a designer drug in a herbal product.\n \n \n \n\n\n \n Uchiyama, N.; Kikura-Hanajiri, R.; Kawahara, N.; and Goda, Y.\n\n\n \n\n\n\n Forensic Toxicology, 27(2): 61–66. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{uchiyama_identification_2009,\n\ttitle = {Identification of a cannabimimetic indole as a designer drug in a herbal product},\n\tvolume = {27},\n\tnumber = {2},\n\tjournal = {Forensic Toxicology},\n\tauthor = {Uchiyama, N. and Kikura-Hanajiri, R. and Kawahara, N. and Goda, Y.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {61--66},\n}\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n \n Assessing direct analysis in real-time-mass spectrometry (DART-MS) for the rapid identification of additives in food packaging.\n \n \n \n \n\n\n \n Ackerman, L.; Noonan, G.; and Begley, T.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 26(12): 1611–1618. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AssessingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{ackerman_assessing_2009,\n\ttitle = {Assessing direct analysis in real-time-mass spectrometry ({DART}-{MS}) for the rapid identification of additives in food packaging},\n\tvolume = {26},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/02652030903232753},\n\tdoi = {10.1080/02652030903232753},\n\tabstract = {The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.\nThe ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.},\n\tnumber = {12},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Ackerman, L.K. and Noonan, G.O. and Begley, T.H.},\n\tyear = {2009},\n\tkeywords = {in-house validation; screening assays; food-contact materials; packaging additives; paper; plastics; Waters Triple Quad},\n\tpages = {1611--1618},\n}\n\n\n\n
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\n\n\n
\n The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement. The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.\n
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\n \n\n \n \n \n \n \n Desorption Electrospray/Metastable-Induced Ionization: A Flexible Multimode Ambient Ion Generation Technique.\n \n \n \n\n\n \n Nyadong, L.; Galhena, A. S.; and Fernandez, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 81(18): 7788–7794. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{nyadong_desorption_2009,\n\ttitle = {Desorption {Electrospray}/{Metastable}-{Induced} {Ionization}: {A} {Flexible} {Multimode} {Ambient} {Ion} {Generation} {Technique}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tdoi = {10.1021/ac9014098},\n\tabstract = {Presented here is a novel multimode ambient ion source termed desorption electrospray/metastable-induced ionization (DEMI), which integrates the benefits and circumvents some of the limitations of desorption electrospray ionization (DESI, polarity range limited) and direct analysis in real time (DART)-type metastable-induced chemical ionization (MICI, molecular weight limited). This ion source allows three unique operation modes, each with unique capabilities, including spray (DESI-like)-only, MICI-only, and DEMI (multimode), and can be thus operated in each of these modes allowing the detection of a wider range of analytes of interest. Ion source operation in the MICI-only mode is particularly well suited for the analysis of low-polarity, low-molecular weight compounds in powdered, solid, or dissolved samples. Operation of the ion source in spray-only mode shows superior performance for the analysis of high-molecular weight, high-polarity compounds over the MICI-only mode. Heating the nebulizer gas in spray-only mode allows improved analyte solubility in the spray solvent, enabling up to an order of magnitude improvement in sensitivity. Perhaps the most appealing mode of operation of the ion source is the DEMI mode which allows the simultaneous detection of compounds within a much broader range of polarities and molecular weights than each of the individual modes. For drug quality screening and counterfeit detection applications, operation in the DEMI mode results in the generation of both protonated and sodiated analytes. The observation of such complementary ionic species facilitates compound identification when investigating unknowns.},\n\tnumber = {18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nyadong, Leonard and Galhena, Asiri S. and Fernandez, Facundo M.},\n\tyear = {2009},\n\tkeywords = {Thermo LCQ},\n\tpages = {7788--7794},\n}\n\n\n\n
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\n Presented here is a novel multimode ambient ion source termed desorption electrospray/metastable-induced ionization (DEMI), which integrates the benefits and circumvents some of the limitations of desorption electrospray ionization (DESI, polarity range limited) and direct analysis in real time (DART)-type metastable-induced chemical ionization (MICI, molecular weight limited). This ion source allows three unique operation modes, each with unique capabilities, including spray (DESI-like)-only, MICI-only, and DEMI (multimode), and can be thus operated in each of these modes allowing the detection of a wider range of analytes of interest. Ion source operation in the MICI-only mode is particularly well suited for the analysis of low-polarity, low-molecular weight compounds in powdered, solid, or dissolved samples. Operation of the ion source in spray-only mode shows superior performance for the analysis of high-molecular weight, high-polarity compounds over the MICI-only mode. Heating the nebulizer gas in spray-only mode allows improved analyte solubility in the spray solvent, enabling up to an order of magnitude improvement in sensitivity. Perhaps the most appealing mode of operation of the ion source is the DEMI mode which allows the simultaneous detection of compounds within a much broader range of polarities and molecular weights than each of the individual modes. For drug quality screening and counterfeit detection applications, operation in the DEMI mode results in the generation of both protonated and sodiated analytes. The observation of such complementary ionic species facilitates compound identification when investigating unknowns.\n
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\n \n\n \n \n \n \n \n Simulations and Experimental Investigation of Atmospheric Transport in an Ambient Metastable-Induced Chemical Ionization Source.\n \n \n \n\n\n \n Harris, G. A.; and Fernandez, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 81(1): 322–329. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{harris_simulations_2009,\n\ttitle = {Simulations and {Experimental} {Investigation} of {Atmospheric} {Transport} in an {Ambient} {Metastable}-{Induced} {Chemical} {Ionization} {Source}},\n\tvolume = {81},\n\tdoi = {10.1021/ac802117u},\n\tabstract = {Since its inception, Direct Analysis in Real Time (DART) has seen utility in a wide range of applications including chemical reaction monitoring, pharmaceutical screening, and forensic mass spectrometry. Despite the growing interest in DART applications, there has been limited research into the fundamental physiochemical phenomena affecting sampling, ionization, and atmospheric ion transport. Presented here are the first experimentally validated finite element method simulations of an ambient DART-type metastable-induced chemical ionization source. It was found that complex coupled fluid dynamics, heat transfer, and electrostatic phenomena within the sampling region determine the variability in ion transmission efficiencies affecting the overall sensitivity of analysis. Particle tracing plots of a circular acetaminophen tablet placed in various positions and orientations yielded insight into optimal sample placement and evidence for sweet spots conducive to better ion transport. Experiments in a wide range of electric field conditions were performed, finding that under optimum sample placement, sensitivity could be improved by as much as 128\\% if ion mobility contributions were minimized.},\n\tnumber = {1},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Harris, Glenn A. and Fernandez, Facundo M.},\n\tyear = {2009},\n\tkeywords = {simulation},\n\tpages = {322--329},\n}\n\n\n\n
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\n Since its inception, Direct Analysis in Real Time (DART) has seen utility in a wide range of applications including chemical reaction monitoring, pharmaceutical screening, and forensic mass spectrometry. Despite the growing interest in DART applications, there has been limited research into the fundamental physiochemical phenomena affecting sampling, ionization, and atmospheric ion transport. Presented here are the first experimentally validated finite element method simulations of an ambient DART-type metastable-induced chemical ionization source. It was found that complex coupled fluid dynamics, heat transfer, and electrostatic phenomena within the sampling region determine the variability in ion transmission efficiencies affecting the overall sensitivity of analysis. Particle tracing plots of a circular acetaminophen tablet placed in various positions and orientations yielded insight into optimal sample placement and evidence for sweet spots conducive to better ion transport. Experiments in a wide range of electric field conditions were performed, finding that under optimum sample placement, sensitivity could be improved by as much as 128% if ion mobility contributions were minimized.\n
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\n \n\n \n \n \n \n \n Ionization Mechanism of Negative Ion-Direct Analysis in Real Time: A Comparative Study with Negative Ion-Atmospheric Pressure Photoionization.\n \n \n \n\n\n \n Song, L.; Dykstra, A. B.; Yao, H.; and Bartmess, J. E.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(1): 42–50. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{song_ionization_2009,\n\ttitle = {Ionization {Mechanism} of {Negative} {Ion}-{Direct} {Analysis} in {Real} {Time}: {A} {Comparative} {Study} with {Negative} {Ion}-{Atmospheric} {Pressure} {Photoionization}},\n\tvolume = {20},\n\tabstract = {The ionization mechanism of negative ion-direct analysis in real time (NI-DART) has been investigated using over 42 compounds, including fullerenes, perfluorocarbons (PFC), organic explosives, phenols, pentafluorobenzyl (PFB) derivatized phenols, anilines, and carboxylic\nacids, which were previously studied by negative ion-atmospheric pressure photoionization (NI-APPI). NI-DART generated ionization products similar to NI-APPI, which led to four ionization mechanisms, including electron capture (EC), dissociative EC, proton transfer, and\nanion attachment. These four ionization mechanisms make both NI-DART and NI-APPI capable of ionizing a wider range of compounds than negative ion-atmospheric pressure chemical ionization (APCI) or negative ion-electrospray ionization (ESI). As the operation of NI-DART is much easier than that of NI-APPI and the gas-phase ion chemistry of NI-DART is more easily manipulated than that of NI-APPI, NI-DART can be therefore used to study in detail the ionization mechanism of LC/NI-APPI-MS, which would be a powerful methodology for the quantification of low-polarity compounds. Herein, one such application has been further demonstrated in the detection and identification of background ions from LC solvents and APPI dopants, including water, acetonitrile, chloroform, methylene chloride, methanol, 2-propanol, hexanes, heptane, cyclohexane, acetone, tetrahydrofuran (THF), 1,4-dioxane, toluene, and anisole. Possible reaction pathways leading to the formation of these background\nions were further inferred. One of the conclusions from these experiments is that THF and 1,4-dioxane are inappropriate to be used as solvents and/or dopants for LC/NI-APPI-MS due to their high reactivity with source basic ions, leading to many reactant ions in the background.},\n\tnumber = {1},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Song, Liguo and Dykstra, Andrew B. and Yao, Huifang and Bartmess, John E.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {42--50},\n}\n\n\n\n
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\n The ionization mechanism of negative ion-direct analysis in real time (NI-DART) has been investigated using over 42 compounds, including fullerenes, perfluorocarbons (PFC), organic explosives, phenols, pentafluorobenzyl (PFB) derivatized phenols, anilines, and carboxylic acids, which were previously studied by negative ion-atmospheric pressure photoionization (NI-APPI). NI-DART generated ionization products similar to NI-APPI, which led to four ionization mechanisms, including electron capture (EC), dissociative EC, proton transfer, and anion attachment. These four ionization mechanisms make both NI-DART and NI-APPI capable of ionizing a wider range of compounds than negative ion-atmospheric pressure chemical ionization (APCI) or negative ion-electrospray ionization (ESI). As the operation of NI-DART is much easier than that of NI-APPI and the gas-phase ion chemistry of NI-DART is more easily manipulated than that of NI-APPI, NI-DART can be therefore used to study in detail the ionization mechanism of LC/NI-APPI-MS, which would be a powerful methodology for the quantification of low-polarity compounds. Herein, one such application has been further demonstrated in the detection and identification of background ions from LC solvents and APPI dopants, including water, acetonitrile, chloroform, methylene chloride, methanol, 2-propanol, hexanes, heptane, cyclohexane, acetone, tetrahydrofuran (THF), 1,4-dioxane, toluene, and anisole. Possible reaction pathways leading to the formation of these background ions were further inferred. One of the conclusions from these experiments is that THF and 1,4-dioxane are inappropriate to be used as solvents and/or dopants for LC/NI-APPI-MS due to their high reactivity with source basic ions, leading to many reactant ions in the background.\n
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\n \n\n \n \n \n \n \n Direct analysis of curcumin in turmeric by DART-MS.\n \n \n \n\n\n \n Kim, H. J.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,published online. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kim_direct_2009,\n\ttitle = {Direct analysis of curcumin in turmeric by {DART}-{MS}},\n\tissn = {1099-1565},\n\tabstract = {Introduction\nThe new ion source technique, direct analysis in real time (DART) atmospheric pressure ionisation, allows high resolution mass measurements of gas, liquid and solid samples. As DART-MS produces [M + H]+ molecular ions of most compounds, relatively simple and clear mass spectra are obtained even of multi-component samples. In order to take advantage of the capacity of DART-MS for the real time analysis of individual compounds in natural raw materials, a pilot study was performed using the well-known antioxidant botanical drug, turmeric.\n\nObjective\nTo establish the analysis methods of curcumin and its derivatives from various types of samples with DART-MS and compare the efficiency of the method with traditional HPLC method.\n\nResults\nDifferent curcuminoids were successfully detected directly from the raw particles of Curcuma longa. When a turmeric extract was separated on a TLC plate, each band produced molecular ion peaks corresponding to curcumin, demethoxycurcumin and bisdemethoxycurcumin. Molecular ions of curcuminoids in turmeric-containing beverages and curry powder were also efficiently detected. In addition to high efficiency of qualitative analysis, the evaluation of its linearity showed that DART-MS can be applied for semi-quantitative determinations of curcumin over a large range (5-100 µg/mL).\n\nConclusion\nA simple chemical profiling and semi-quantitative method for natural products using DART-MS might be applied to diverse field related quality control of medicinal plants or food ingredients.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Jang, Young Pyo},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {published online},\n}\n\n\n\n
\n
\n\n\n
\n Introduction The new ion source technique, direct analysis in real time (DART) atmospheric pressure ionisation, allows high resolution mass measurements of gas, liquid and solid samples. As DART-MS produces [M + H]+ molecular ions of most compounds, relatively simple and clear mass spectra are obtained even of multi-component samples. In order to take advantage of the capacity of DART-MS for the real time analysis of individual compounds in natural raw materials, a pilot study was performed using the well-known antioxidant botanical drug, turmeric. Objective To establish the analysis methods of curcumin and its derivatives from various types of samples with DART-MS and compare the efficiency of the method with traditional HPLC method. Results Different curcuminoids were successfully detected directly from the raw particles of Curcuma longa. When a turmeric extract was separated on a TLC plate, each band produced molecular ion peaks corresponding to curcumin, demethoxycurcumin and bisdemethoxycurcumin. Molecular ions of curcuminoids in turmeric-containing beverages and curry powder were also efficiently detected. In addition to high efficiency of qualitative analysis, the evaluation of its linearity showed that DART-MS can be applied for semi-quantitative determinations of curcumin over a large range (5-100 µg/mL). Conclusion A simple chemical profiling and semi-quantitative method for natural products using DART-MS might be applied to diverse field related quality control of medicinal plants or food ingredients.\n
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\n \n\n \n \n \n \n \n Rapid Semi-Quantitative Surface Mapping of Airborne-Dispersed Chemicals Using Mass Spectrometry.\n \n \n \n\n\n \n Grange, A.\n\n\n \n\n\n\n Environmental Forensics, 10(3): 183–195. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_rapid_2009,\n\ttitle = {Rapid {Semi}-{Quantitative} {Surface} {Mapping} of {Airborne}-{Dispersed} {Chemicals} {Using} {Mass} {Spectrometry}},\n\tvolume = {10},\n\tabstract = {Chemicals can be dispersed accidentally, deliberately, or by weather-related events. Rapid mapping of contaminant distributions is necessary to assess exposure risks and to plan remediation, when needed. Ten pulverized aspirin or NoDozTM tablets containing caffeine were dispersed across a concrete driveway using the exhaust port of a shop vacuum cleaner. Water-soaked, cotton swabs were used to collect wipe samples from 100 cm2 areas within a 7 x 12 grid pattern to map the caffeine distribution. An autosampler/Direct Analysis in Real Time (DARTTM)/time-of-flight mass spectrometer was used to acquire ion chromatograms for the [M+H]+ semi-quantitation ion (m/z 195). Prior to analysis, unheated, non-energized helium gas was blown across the swabs to remove debris that could plug the cone orifice. Carry over was mitigated by interspersing wipe sample swabs with water-soaked swabs to provide hot water vapor to clean the region around the cone orifice into the mass spectrometer between sample swabs. Carry over was further reduced relative to the ion abundances from analyte peaks by acquiring data a second time. Remaining carry over was seen as ion abundance plateaus in ion chromatograms before and after each analyte peak. The higher plateau was treated as the baseline for each analyte peak by a macro procedure written in Lotus 123TM. A second macro procedure plotted multi-color, semi-quantitation maps for high, moderate, low, and non-detect levels of caffeine.},\n\tnumber = {3},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, A.H.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {183--195},\n}\n\n\n\n
\n
\n\n\n
\n Chemicals can be dispersed accidentally, deliberately, or by weather-related events. Rapid mapping of contaminant distributions is necessary to assess exposure risks and to plan remediation, when needed. Ten pulverized aspirin or NoDozTM tablets containing caffeine were dispersed across a concrete driveway using the exhaust port of a shop vacuum cleaner. Water-soaked, cotton swabs were used to collect wipe samples from 100 cm2 areas within a 7 x 12 grid pattern to map the caffeine distribution. An autosampler/Direct Analysis in Real Time (DARTTM)/time-of-flight mass spectrometer was used to acquire ion chromatograms for the [M+H]+ semi-quantitation ion (m/z 195). Prior to analysis, unheated, non-energized helium gas was blown across the swabs to remove debris that could plug the cone orifice. Carry over was mitigated by interspersing wipe sample swabs with water-soaked swabs to provide hot water vapor to clean the region around the cone orifice into the mass spectrometer between sample swabs. Carry over was further reduced relative to the ion abundances from analyte peaks by acquiring data a second time. Remaining carry over was seen as ion abundance plateaus in ion chromatograms before and after each analyte peak. The higher plateau was treated as the baseline for each analyte peak by a macro procedure written in Lotus 123TM. A second macro procedure plotted multi-color, semi-quantitation maps for high, moderate, low, and non-detect levels of caffeine.\n
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\n \n\n \n \n \n \n \n Temperature-dependent release of volatile organic compounds of eucalypts by direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Maleknia, S. D.; Vail, T. M.; Cody, R. B.; Sparkman, D. O.; Bell, T. L.; and Adams, M. A.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 23(15): 2241–2246. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{maleknia_temperature-dependent_2009,\n\ttitle = {Temperature-dependent release of volatile organic compounds of eucalypts by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {23},\n\tissn = {1097-0231},\n\tabstract = {A method is described for the rapid identification of biogenic, volatile organic compounds (VOCs) emitted by plants, including the analysis of the temperature dependence of those emissions. Direct analysis in real time (DART) enabled ionization of VOCs from stem and leaf of several eucalyptus species including E. cinerea, E. citriodora, E. nicholii and E. sideroxylon. Plant tissues were placed directly in the gap between the DART ionization source skimmer and the capillary inlet of the time-of-flight (TOF) mass spectrometer. Temperature-dependent emission of VOCs was achieved by adjusting the temperature of the helium gas into the DART ionization source at 50, 100, 200 and 300°C, which enabled direct evaporation of compounds, up to the onset of pyrolysis of plant fibres (i.e. cellulose and lignin). Accurate mass measurements facilitated by TOF mass spectrometry provided elemental compositions for the VOCs. A wide range of compounds was detected from simple organic compounds (i.e. methanol and acetone) to a series of monoterpenes (i.e. pinene, camphene, cymene, eucalyptol) common to many plant species, as well as several less abundant sesquiterpenes and flavonoids (i.e. naringenin, spathulenol, eucalyptin) with antioxidant and antimicrobial properties. The leaf and stem tissues for all four eucalypt species showed similar compounds. The relative abundances of methanol and ethanol were greater in stem wood than in leaf tissue suggesting that DART could be used to investigate the tissue-specific transport and emissions of VOCs.},\n\tnumber = {15},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Maleknia, Simin D. and Vail, Teresa M. and Cody, Robert B. and Sparkman, David O. and Bell, Tina L. and Adams, Mark A.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {2241--2246},\n}\n\n\n\n
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\n\n\n
\n A method is described for the rapid identification of biogenic, volatile organic compounds (VOCs) emitted by plants, including the analysis of the temperature dependence of those emissions. Direct analysis in real time (DART) enabled ionization of VOCs from stem and leaf of several eucalyptus species including E. cinerea, E. citriodora, E. nicholii and E. sideroxylon. Plant tissues were placed directly in the gap between the DART ionization source skimmer and the capillary inlet of the time-of-flight (TOF) mass spectrometer. Temperature-dependent emission of VOCs was achieved by adjusting the temperature of the helium gas into the DART ionization source at 50, 100, 200 and 300°C, which enabled direct evaporation of compounds, up to the onset of pyrolysis of plant fibres (i.e. cellulose and lignin). Accurate mass measurements facilitated by TOF mass spectrometry provided elemental compositions for the VOCs. A wide range of compounds was detected from simple organic compounds (i.e. methanol and acetone) to a series of monoterpenes (i.e. pinene, camphene, cymene, eucalyptol) common to many plant species, as well as several less abundant sesquiterpenes and flavonoids (i.e. naringenin, spathulenol, eucalyptin) with antioxidant and antimicrobial properties. The leaf and stem tissues for all four eucalypt species showed similar compounds. The relative abundances of methanol and ethanol were greater in stem wood than in leaf tissue suggesting that DART could be used to investigate the tissue-specific transport and emissions of VOCs.\n
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\n \n\n \n \n \n \n \n Ambient mass spectrometry employing direct analysis in real time (DART) ion source for olive oil quality and authenticity assessment.\n \n \n \n\n\n \n Vaclavik, L.; Cajka, T.; Hrbek, V.; and Hajslova, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 645(1-2): 56–63. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{vaclavik_ambient_2009,\n\ttitle = {Ambient mass spectrometry employing direct analysis in real time ({DART}) ion source for olive oil quality and authenticity assessment},\n\tvolume = {645},\n\tdoi = {10.1016/j.aca.2009.04.043},\n\tabstract = {A novel approach for the authentication of olive oil samples representing different quality grades has been developed. A new type of ion source, direct analysis in real time (DART), coupled to a high-resolution time-of-flight mass spectrometer (TOFMS) was employed for the comprehensive profiling of triacylglycerols (TAGs) and/or polar compounds extracted with a methanol–water mixture. The main parameters influencing the ionization efficiency of TAGs were the type of sample solvent, degree of sample dilution, ion beam temperature, and presence of a dopant (ammonia vapors). The ionization yield of polar compounds depended mainly on a content of water in the extract and ion beam temperature. Using DART–TOFMS, not only differentiation among extra virgin olive oil (EVOO), olive pomace oil (OPO) and olive oil (OO) could be easily achieved, but also EVOO adulteration with commonly used adulterant, hazelnut oil (HO), was feasible. Based on the linear discriminant analysis (LDA), the introduced method allowed detection of HO addition of 6 and 15\\% (v/v) when assessing DART–TOFMS mass profiles of polar compounds and TAGs, respectively.},\n\tnumber = {1-2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Vaclavik, Lukas and Cajka, Tomas and Hrbek, Vojtech and Hajslova, J.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {56--63},\n}\n\n\n\n\n\n\n\n
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\n A novel approach for the authentication of olive oil samples representing different quality grades has been developed. A new type of ion source, direct analysis in real time (DART), coupled to a high-resolution time-of-flight mass spectrometer (TOFMS) was employed for the comprehensive profiling of triacylglycerols (TAGs) and/or polar compounds extracted with a methanol–water mixture. The main parameters influencing the ionization efficiency of TAGs were the type of sample solvent, degree of sample dilution, ion beam temperature, and presence of a dopant (ammonia vapors). The ionization yield of polar compounds depended mainly on a content of water in the extract and ion beam temperature. Using DART–TOFMS, not only differentiation among extra virgin olive oil (EVOO), olive pomace oil (OPO) and olive oil (OO) could be easily achieved, but also EVOO adulteration with commonly used adulterant, hazelnut oil (HO), was feasible. Based on the linear discriminant analysis (LDA), the introduced method allowed detection of HO addition of 6 and 15% (v/v) when assessing DART–TOFMS mass profiles of polar compounds and TAGs, respectively.\n
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\n \n\n \n \n \n \n \n \n Validation of the Direct Analysis in Real Time Source for Use in Forensic Drug Screening.\n \n \n \n \n\n\n \n Steiner, R. R.; and Larson, R. L.\n\n\n \n\n\n\n Journal of Forensic Sciences, 54(3): 617–622. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{steiner_validation_2009,\n\ttitle = {Validation of the {Direct} {Analysis} in {Real} {Time} {Source} for {Use} in {Forensic} {Drug} {Screening}},\n\tvolume = {54},\n\tissn = {00221198, 15564029},\n\turl = {http://doi.wiley.com/10.1111/j.1556-4029.2009.01006.x},\n\tdoi = {10.1111/j.1556-4029.2009.01006.x},\n\tabstract = {The Direct Analysis in Real Time (DART) ion source is a relatively new mass spectrometry technique that is seeing widespread use in chemical analyses world-wide. DART studies include such diverse topics as analysis of flavors and fragrances, melamine in contaminated dog food, differentiation of writing inks, characterization of solid counterfeit drugs, and as a detector for planar chromatography. Validation of this new technique for the rapid screening of forensic evidence for drugs of abuse, utilizing the DART source coupled to an accurate mass time-of-flight mass spectrometer, was conducted. The study consisted of the determination of the lower limit of detection for the method, determination of selectivity and a comparison of this technique to established analytical protocols. Examples of DART spectra are included. The results of this study have allowed the Virginia Department of Forensic Science to incorporate this new technique into their analysis scheme for the screening of solid dosage forms of drugs of abuse.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Steiner, Robert R. and Larson, Robyn L.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {617--622},\n}\n\n\n\n
\n
\n\n\n
\n The Direct Analysis in Real Time (DART) ion source is a relatively new mass spectrometry technique that is seeing widespread use in chemical analyses world-wide. DART studies include such diverse topics as analysis of flavors and fragrances, melamine in contaminated dog food, differentiation of writing inks, characterization of solid counterfeit drugs, and as a detector for planar chromatography. Validation of this new technique for the rapid screening of forensic evidence for drugs of abuse, utilizing the DART source coupled to an accurate mass time-of-flight mass spectrometer, was conducted. The study consisted of the determination of the lower limit of detection for the method, determination of selectivity and a comparison of this technique to established analytical protocols. Examples of DART spectra are included. The results of this study have allowed the Virginia Department of Forensic Science to incorporate this new technique into their analysis scheme for the screening of solid dosage forms of drugs of abuse.\n
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\n \n\n \n \n \n \n \n \n Bioanalysis without Sample Cleanup or Chromatography: The Evaluation and Initial Implementation of Direct Analysis in Real Time Ionization Mass Spectrometry for the Quantification of Drugs in Biological Matrixes.\n \n \n \n \n\n\n \n Yu, S.; Crawford, E.; Tice, J.; Musselman, B.; and Wu, J.\n\n\n \n\n\n\n Analytical Chemistry, 81(1): 193–202. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"BioanalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{yu_bioanalysis_2009,\n\ttitle = {Bioanalysis without {Sample} {Cleanup} or {Chromatography}: {The} {Evaluation} and {Initial} {Implementation} of {Direct} {Analysis} in {Real} {Time} {Ionization} {Mass} {Spectrometry} for the {Quantification} of {Drugs} in {Biological} {Matrixes}},\n\tvolume = {81},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Bioanalysis without {Sample} {Cleanup} or {Chromatography}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac801734t},\n\tdoi = {10.1021/ac801734t},\n\tabstract = {Two key bottlenecks in pharmaceutical bioanalysis are sample cleanup and chromatographic separations. Although multiple approaches have been developed in the past decade to either shorten or multiplex these steps, they remain the rate limiting steps as ADME (Absorption, Distribution, Metabolism, and Excretion) property screening is being routinely incorporated into the drug discovery process. In this work, a novel system incorporating an automated Direct Analysis in Real Time (DART) ionization source coupled with a triple-quadrupole mass spectrometer has been developed and evaluated for quantitative bioanalysis. This system has the capability of directly analyzing samples from their biological matrixes and therefore potentially eliminating the need for sample cleanup and chromatographic separations. A LEAP Technologies autosampler was customized to perform the automated sample introduction into the DART beam with high precision, which significantly improved the reproducibility of the method. Additional pumping was applied to the atmospheric pressure inlet on the mass spectrometer to compensate for the increased vacuum load because of the use of high-flow helium by the DART. This resulted in an improvement of detection sensitivity by a factor of 10 to 100 times. Matrix effects for a diversified class of compounds were evaluated directly from untreated raw plasma and were found to range from approximately 0.05 to 0.7. Precision and accuracy were also tested for multiple test compounds over a dynamic range of four orders of magnitude. The system has been used to analyze biological samples from both in vivo pharmacokinetic studies and in vitro microsomal/S9 stability studies, and the results generated were similar to those obtained with conventional LC/MS/MS methods. Overall, this new automated DART-triple quadrupole mass spectrometer system has demonstrated significant potential for high-throughput bioanalysis.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Yu, Shaoxia and Crawford, Elizabeth and Tice, Joe and Musselman, Brian and Wu, Jing-Tao},\n\tyear = {2009},\n\tkeywords = {Applied Biosystems Triple Quad},\n\tpages = {193--202},\n}\n\n\n\n
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\n Two key bottlenecks in pharmaceutical bioanalysis are sample cleanup and chromatographic separations. Although multiple approaches have been developed in the past decade to either shorten or multiplex these steps, they remain the rate limiting steps as ADME (Absorption, Distribution, Metabolism, and Excretion) property screening is being routinely incorporated into the drug discovery process. In this work, a novel system incorporating an automated Direct Analysis in Real Time (DART) ionization source coupled with a triple-quadrupole mass spectrometer has been developed and evaluated for quantitative bioanalysis. This system has the capability of directly analyzing samples from their biological matrixes and therefore potentially eliminating the need for sample cleanup and chromatographic separations. A LEAP Technologies autosampler was customized to perform the automated sample introduction into the DART beam with high precision, which significantly improved the reproducibility of the method. Additional pumping was applied to the atmospheric pressure inlet on the mass spectrometer to compensate for the increased vacuum load because of the use of high-flow helium by the DART. This resulted in an improvement of detection sensitivity by a factor of 10 to 100 times. Matrix effects for a diversified class of compounds were evaluated directly from untreated raw plasma and were found to range from approximately 0.05 to 0.7. Precision and accuracy were also tested for multiple test compounds over a dynamic range of four orders of magnitude. The system has been used to analyze biological samples from both in vivo pharmacokinetic studies and in vitro microsomal/S9 stability studies, and the results generated were similar to those obtained with conventional LC/MS/MS methods. Overall, this new automated DART-triple quadrupole mass spectrometer system has demonstrated significant potential for high-throughput bioanalysis.\n
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\n \n\n \n \n \n \n \n Determination of the Presence or Absence of Sulfur Materials in Drywall Using Direct Analysis in Real Time in Conjunction with an Accurate-Mass Time-of-Flight Mass Spectrometer.\n \n \n \n\n\n \n Curtis, M. E.; Jones, P. R.; Sparkman, O. D.; and Cody, R. B.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(11): 2082–2086. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{curtis_determination_2009,\n\ttitle = {Determination of the {Presence} or {Absence} of {Sulfur} {Materials} in {Drywall} {Using} {Direct} {Analysis} in {Real} {Time} in {Conjunction} with an {Accurate}-{Mass} {Time}-of-{Flight} {Mass} {Spectrometer}},\n\tvolume = {20},\n\tissn = {1044-0305},\n\tabstract = {Based on the concern about the presence of sulfur materials being in drywall (wallboard), a quick and reliable test to confirm the presence or absence of these materials using direct analysis in real time (DART) mass spectrometry in conjunction with an accurate-mass time-of-flight (TOF) mass spectrometer has been developed and is described here.},\n\tnumber = {11},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Curtis, Matthew E. and Jones, Patrick R. and Sparkman, O. David and Cody, Robert B.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {2082--2086},\n}\n\n\n\n
\n
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\n Based on the concern about the presence of sulfur materials being in drywall (wallboard), a quick and reliable test to confirm the presence or absence of these materials using direct analysis in real time (DART) mass spectrometry in conjunction with an accurate-mass time-of-flight (TOF) mass spectrometer has been developed and is described here.\n
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\n \n\n \n \n \n \n \n Elderberry flavonoids bind to and prevent H1N1 infection in vitro.\n \n \n \n\n\n \n Roschek Jr., B.; Fink, R. C.; McMichael, M. D.; Li, D.; and Alberte, R. S.\n\n\n \n\n\n\n Phytochemistry, 70(10): 1255–1262. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{roschek_jr._elderberry_2009,\n\ttitle = {Elderberry flavonoids bind to and prevent {H1N1} infection in vitro},\n\tvolume = {70},\n\tdoi = {10.1016/j.phytochem.2009.06.003},\n\tabstract = {A ionization technique in mass spectrometry called Direct Analysis in Real Time Mass Spectrometry (DART TOF-MS) coupled with a Direct Binding Assay was used to identify and characterize anti-viral components of an elderberry fruit (Sambucus nigra L.) extract without either derivatization or separation by standard chromatographic techniques. The elderberry extract inhibited Human Influenza A (H1N1) infection in vitro with an IC50 value of 252 ± 34 μg/mL. The Direct Binding Assay established that flavonoids from the elderberry extract bind to H1N1 virions and, when bound, block the ability of the viruses to infect host cells. Two compounds were identified, 5,7,3′,4′-tetra-O-methylquercetin (1) and 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chroman-3-yl-3,4,5-trihydroxycyclohexanecarboxylate (2), as H1N1-bound chemical species. Compound 1 and dihydromyricetin (3), the corresponding 3-hydroxyflavonone of 2, were synthesized and shown to inhibit H1N1 infection in vitro by binding to H1N1 virions, blocking host cell entry and/or recognition. Compound 1 gave an IC50 of 0.13 μg/mL (0.36 μM) for H1N1 infection inhibition, while dihydromyricetin (3) achieved an IC50 of 2.8 μg/mL (8.7 μM). The H1N1 inhibition activities of the elderberry flavonoids compare favorably to the known anti-influenza activities of Oseltamivir (Tamiflu®; 0.32 μM) and Amantadine (27 μM).},\n\tnumber = {10},\n\tjournal = {Phytochemistry},\n\tauthor = {Roschek Jr., Bill and Fink, Ryan C. and McMichael, Matthew D. and Li, Dan and Alberte, Randall S.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1255--1262},\n}\n\n\n\n
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\n A ionization technique in mass spectrometry called Direct Analysis in Real Time Mass Spectrometry (DART TOF-MS) coupled with a Direct Binding Assay was used to identify and characterize anti-viral components of an elderberry fruit (Sambucus nigra L.) extract without either derivatization or separation by standard chromatographic techniques. The elderberry extract inhibited Human Influenza A (H1N1) infection in vitro with an IC50 value of 252 ± 34 μg/mL. The Direct Binding Assay established that flavonoids from the elderberry extract bind to H1N1 virions and, when bound, block the ability of the viruses to infect host cells. Two compounds were identified, 5,7,3′,4′-tetra-O-methylquercetin (1) and 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chroman-3-yl-3,4,5-trihydroxycyclohexanecarboxylate (2), as H1N1-bound chemical species. Compound 1 and dihydromyricetin (3), the corresponding 3-hydroxyflavonone of 2, were synthesized and shown to inhibit H1N1 infection in vitro by binding to H1N1 virions, blocking host cell entry and/or recognition. Compound 1 gave an IC50 of 0.13 μg/mL (0.36 μM) for H1N1 infection inhibition, while dihydromyricetin (3) achieved an IC50 of 2.8 μg/mL (8.7 μM). The H1N1 inhibition activities of the elderberry flavonoids compare favorably to the known anti-influenza activities of Oseltamivir (Tamiflu®; 0.32 μM) and Amantadine (27 μM).\n
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\n \n\n \n \n \n \n \n Detection of Peroxide and Tetrazine Explosives on Surfaces by Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; Durst, H. D.; Connell, T. R.; and Nilles, J. M.\n\n\n \n\n\n\n American Laboratory Online Edition, 2(2): 1–5. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{laramee_detection_2009,\n\ttitle = {Detection of {Peroxide} and {Tetrazine} {Explosives} on {Surfaces} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {2},\n\tnumber = {2},\n\tjournal = {American Laboratory Online Edition},\n\tauthor = {Laramée, James A. and Durst, H. Dupont and Connell, Theresa R. and Nilles, J. Michael},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1--5},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Screening of Cocaine and Its Metabolites in Human Urine Samples by Direct Analysis in Real-Time Source Coupled to Time-of-Flight Mass Spectrometry After Online Preconcentration Utilizing Microextraction by Packed Sorbent.\n \n \n \n\n\n \n Jagerdeo, E.; and Abdel-Rehim, M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(5): 891–899. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{jagerdeo_screening_2009,\n\ttitle = {Screening of {Cocaine} and {Its} {Metabolites} in {Human} {Urine} {Samples} by {Direct} {Analysis} in {Real}-{Time} {Source} {Coupled} to {Time}-of-{Flight} {Mass} {Spectrometry} {After} {Online} {Preconcentration} {Utilizing} {Microextraction} by {Packed} {Sorbent}},\n\tvolume = {20},\n\tdoi = {10.1016/j.jasms.2009.01.010},\n\tabstract = {Microextraction by packed sorbent (MEPS) has been evaluated for fast screening of drugs of abuse with mass spectrometric detection. In this study, C8 (octyl-silica, useful for nonpolar to moderately polar compounds), ENV+ (hydroxylated polystyrene-divinylbenzene copolymer, for extraction of aliphatic and aromatic polar compounds), Oasis MCX (sulfonic-poly(divinylbenzene-co-N-polyvinyl-pyrrolidone) copolymer), and Clean Screen DAU (mixed mode, ion exchanger for acidic and basic compounds) were used as sorbents for the MEPS. The focus was on fast extraction and preconcentration of the drugs with rapid analysis using a time-of-flight (TOF) mass spectrometer as the detector with direct analysis in a real-time (DART) source. The combination of an analysis time of less than 1 min and accurate mass of the first monoisotopic peak of the analyte and the relative abundances of the peaks in the isotopic clusters provided reliable information for identification. Furthermore, the study sought to demonstrate that it is possible to quantify the analyte of interest using a DART source when an internal standard is used. Of all the sorbents used in the study, Clean Screen DAU performed best for extraction of the analytes from urine. Using Clean Screen DAU to extract spiked samples containing the drugs, linearity was demonstrated for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene with average ranges of: 65–910, 75–1100, 95–1200, and 75–1100 ng/mL (n = 5), respectively. The limits of detection (LOD) for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene were 22.9 ng/mL, 23.7 ng/mL, 4.0 ng/mL, and 9.8 ng/mL respectively, using a signal-to-noise ratio of 3:1.},\n\tnumber = {5},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Jagerdeo, Eshwar and Abdel-Rehim, Mohamed},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {891--899},\n}\n\n\n\n
\n
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\n Microextraction by packed sorbent (MEPS) has been evaluated for fast screening of drugs of abuse with mass spectrometric detection. In this study, C8 (octyl-silica, useful for nonpolar to moderately polar compounds), ENV+ (hydroxylated polystyrene-divinylbenzene copolymer, for extraction of aliphatic and aromatic polar compounds), Oasis MCX (sulfonic-poly(divinylbenzene-co-N-polyvinyl-pyrrolidone) copolymer), and Clean Screen DAU (mixed mode, ion exchanger for acidic and basic compounds) were used as sorbents for the MEPS. The focus was on fast extraction and preconcentration of the drugs with rapid analysis using a time-of-flight (TOF) mass spectrometer as the detector with direct analysis in a real-time (DART) source. The combination of an analysis time of less than 1 min and accurate mass of the first monoisotopic peak of the analyte and the relative abundances of the peaks in the isotopic clusters provided reliable information for identification. Furthermore, the study sought to demonstrate that it is possible to quantify the analyte of interest using a DART source when an internal standard is used. Of all the sorbents used in the study, Clean Screen DAU performed best for extraction of the analytes from urine. Using Clean Screen DAU to extract spiked samples containing the drugs, linearity was demonstrated for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene with average ranges of: 65–910, 75–1100, 95–1200, and 75–1100 ng/mL (n = 5), respectively. The limits of detection (LOD) for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene were 22.9 ng/mL, 23.7 ng/mL, 4.0 ng/mL, and 9.8 ng/mL respectively, using a signal-to-noise ratio of 3:1.\n
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\n \n\n \n \n \n \n \n Ionization Mechanism of Positive-Ion Direct Analysis in Real Time: A Transient Microenvironment Concept.\n \n \n \n\n\n \n Song, L.; Gibson, S. C.; Bhandari, D.; Cook, K. D.; and Bartmess, J. E.\n\n\n \n\n\n\n Analytical Chemistry, 81(24): 10080–10088. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{song_ionization_2009,\n\ttitle = {Ionization {Mechanism} of {Positive}-{Ion} {Direct} {Analysis} in {Real} {Time}: {A} {Transient} {Microenvironment} {Concept}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tdoi = {10.1021/ac901122b},\n\tabstract = {A transient microenvironment mechanism (TMEM) is proposed to address matrix effects for direct analysis in real time (DART). When the DART gas stream is in contact with the sample, a transient microenvironment (TME), which can shield analytes from direct ionization, may be generated through the desorption of the matrix containing the analyte. The DART gas stream can directly ionize the matrix molecules, but the analytes will be ionized primarily through gas-phase ion/molecule reactions with the matrix ions. Experimental results showed that as little as 10 nL of liquid or 10 μg of solid was able to generate an efficient TME. Generated TMEs were able to control the ionization of an analyte below an analyte-to-matrix ratio that was dependent on the DART temperature and the boiling points of the analyte and matrix. TMEs generated by common solvents were studied in detail. The ionization of both polar and nonpolar compounds, present in a solvent or another analyte below a ratio of 1:100, were found to be mainly controlled by the generated TMEs at a DART temperature of 300 °C.},\n\tnumber = {24},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Song, Liguo and Gibson, Stephen C. and Bhandari, Deepak and Cook, Kelsey D. and Bartmess, John E.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {10080--10088},\n}\n\n\n\n
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\n A transient microenvironment mechanism (TMEM) is proposed to address matrix effects for direct analysis in real time (DART). When the DART gas stream is in contact with the sample, a transient microenvironment (TME), which can shield analytes from direct ionization, may be generated through the desorption of the matrix containing the analyte. The DART gas stream can directly ionize the matrix molecules, but the analytes will be ionized primarily through gas-phase ion/molecule reactions with the matrix ions. Experimental results showed that as little as 10 nL of liquid or 10 μg of solid was able to generate an efficient TME. Generated TMEs were able to control the ionization of an analyte below an analyte-to-matrix ratio that was dependent on the DART temperature and the boiling points of the analyte and matrix. TMEs generated by common solvents were studied in detail. The ionization of both polar and nonpolar compounds, present in a solvent or another analyte below a ratio of 1:100, were found to be mainly controlled by the generated TMEs at a DART temperature of 300 °C.\n
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\n \n\n \n \n \n \n \n \n Alcohols Can Now Be Analyzed by a Direct Analysis in Real-Time Method: Applications for Chemical Warfare Agent Synthesis.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Nilles, J.; and Connell, T.\n\n\n \n\n\n\n American Laboratory, 41(4): 24–27. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AlcoholsPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{laramee_alcohols_2009,\n\ttitle = {Alcohols {Can} {Now} {Be} {Analyzed} by a {Direct} {Analysis} in {Real}-{Time} {Method}: {Applications} for {Chemical} {Warfare} {Agent} {Synthesis}},\n\tvolume = {41},\n\turl = {http://www.americanlaboratory.com/914-Application-Notes/652-Alcohols-Can-Now-Be-Analyzed-by-a-Direct-Analysis-in-Real-Time-Method-Applications-for-Chemical-Warfare-Agent-Synthesis/},\n\tabstract = {The cardinal principle for an operation involving chemical agents is to limit the potential exposure to a minimum number of personnel, for a minimum period of time, to a minimum amount of the chemical agent consistent with safe and efficient operations.1 This requires that the synthetic schemes be rapid and free from unnecessary by-products that would require otherwise further sample handling. Thus, acid/base chemistries with alcohols as intermediates are often used to synthesize phosphonofluoridates, phosphoramidocyanidate, and phosphonothioates.\n\nDovetailing into the cardinal principle is the need for a rapid chemical analysis method that can accurately confirm the identity and purity of the starting materials, intermediates, and final product(s). In order to accomplish these objectives, the U.S. Army’s Edgewood Chemical Biological Center (ECBC) has been using the Direct Analysis in Real Time (DART™) method (JEOL USA, Inc., Peabody, MA) since 2002.2 Since that time, a flurry of other open-air methods based on the use of metastable species has been seen.\n\nDuring the course of a large synthesis project comprising many organophosphorus compounds and their isotopically labeled analogs, it was observed that the DART datum for labeled alcohol intermediates neither corroborated the nuclear magnetic resonance (NMR) datum nor the GC-MS datum. Yet the data from these three analytical methods were in agreement when the final chemical agent product was analyzed. An investigation was initiated in order to discover the cause of this discrepancy, and a procedure was developed that allowed alcohols and organophosphorus intermediates to be analyzed by DART.},\n\tnumber = {4},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D. and Nilles, J.M. and Connell, T.R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {24--27},\n}\n\n\n\n
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\n The cardinal principle for an operation involving chemical agents is to limit the potential exposure to a minimum number of personnel, for a minimum period of time, to a minimum amount of the chemical agent consistent with safe and efficient operations.1 This requires that the synthetic schemes be rapid and free from unnecessary by-products that would require otherwise further sample handling. Thus, acid/base chemistries with alcohols as intermediates are often used to synthesize phosphonofluoridates, phosphoramidocyanidate, and phosphonothioates. Dovetailing into the cardinal principle is the need for a rapid chemical analysis method that can accurately confirm the identity and purity of the starting materials, intermediates, and final product(s). In order to accomplish these objectives, the U.S. Army’s Edgewood Chemical Biological Center (ECBC) has been using the Direct Analysis in Real Time (DART™) method (JEOL USA, Inc., Peabody, MA) since 2002.2 Since that time, a flurry of other open-air methods based on the use of metastable species has been seen. During the course of a large synthesis project comprising many organophosphorus compounds and their isotopically labeled analogs, it was observed that the DART datum for labeled alcohol intermediates neither corroborated the nuclear magnetic resonance (NMR) datum nor the GC-MS datum. Yet the data from these three analytical methods were in agreement when the final chemical agent product was analyzed. An investigation was initiated in order to discover the cause of this discrepancy, and a procedure was developed that allowed alcohols and organophosphorus intermediates to be analyzed by DART.\n
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\n \n\n \n \n \n \n \n Elementary Guide to Ionization Methods for Mass Spectrometry− Introduction of Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Konuma, K.\n\n\n \n\n\n\n Bunseki, 9: 464–467. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{konuma_elementary_2009,\n\ttitle = {Elementary {Guide} to {Ionization} {Methods} for {Mass} {Spectrometry}− {Introduction} of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {9},\n\tjournal = {Bunseki},\n\tauthor = {Konuma, K.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {464--467},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Pro-Inflammatory Enzymes, Cyclooxygenase 1, Cyclooxygenase 2, and 5-Lipooxygenase, Inhibited by Stabilized Rice Bran Extracts.\n \n \n \n\n\n \n Roschek Jr., B.; Fink, R. C.; Li, D.; McMichael, M.; Tower, C. M.; Smith, R. D.; and Alberte, R. S.\n\n\n \n\n\n\n Journal of Medicinal Food, 12(3): 615–623. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{roschek_jr._pro-inflammatory_2009,\n\ttitle = {Pro-{Inflammatory} {Enzymes}, {Cyclooxygenase} 1, {Cyclooxygenase} 2, and 5-{Lipooxygenase}, {Inhibited} by {Stabilized} {Rice} {Bran} {Extracts}},\n\tvolume = {12},\n\tdoi = {10.1089=jmf.2008.0133},\n\tabstract = {Rice bran, the outer bran and germ of the kernel and a by-product of rice milling, is rich in phytonutrients but\nhas been underutilized because of lipid content instability. New methods for the processing of rice bran have yielded a\nstabilized form that is increasingly used in foods and dietary supplements. Recent studies have documented a role for\nstabilized rice bran (SRB) in treating diabetes and arthritis, although little is known of the bioactive compounds that impart\nthese health benefits. Here we characterize the chemical composition of three extracts of SRB and identify the functional\nbioactives contributing to the inhibitory properties against three key pro-inflammatory enzymes (cyclooxygenase [COX] 1,\nCOX2, and 5-lipoxygenase [5-LOX]) that control the inflammatory cascade involved in impaired joint health, pain, and\narthritis. One extract (SRB-AI) demonstrated significant COX1 and COX2 inhibitory activities with 50\\% inhibitory concentration\n(IC50) values for COX1 and COX2 of 305 and 29 mg=mL, respectively, but no 5-LOX inhibition. The second\nextract (SRB-AII) inhibited COX1, COX2, and 5-LOX with IC50 values of 310, 19, and 396 mg=mL, respectively. The third\nextract (SRB-AIII), a blend of SRB-AI and SRB-AIII, inhibited COX1, COX2, and 5-LOX with respective IC50 values of 48,\n11, and 197 mg=mL. Analysis of the extracts by direct analysis in real time time of flight-mass spectrometry revealed that\nSRB-AI, SRB-AII, and SRB-AIII contain over 620, 770, and 810 compounds, respectively. Of these, 17 were identified as key\nbioactives for COX and=or LOX inhibition. These SRB extracts have applications for functional foods and dietary supplements\nfor control of inflammation and joint health.},\n\tnumber = {3},\n\tjournal = {Journal of Medicinal Food},\n\tauthor = {Roschek Jr., Bill and Fink, Ryan C. and Li, Dan and McMichael, Matthew and Tower, Christine M. and Smith, Robert D. and Alberte, Randall S.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {615--623},\n}\n\n\n\n
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\n Rice bran, the outer bran and germ of the kernel and a by-product of rice milling, is rich in phytonutrients but has been underutilized because of lipid content instability. New methods for the processing of rice bran have yielded a stabilized form that is increasingly used in foods and dietary supplements. Recent studies have documented a role for stabilized rice bran (SRB) in treating diabetes and arthritis, although little is known of the bioactive compounds that impart these health benefits. Here we characterize the chemical composition of three extracts of SRB and identify the functional bioactives contributing to the inhibitory properties against three key pro-inflammatory enzymes (cyclooxygenase [COX] 1, COX2, and 5-lipoxygenase [5-LOX]) that control the inflammatory cascade involved in impaired joint health, pain, and arthritis. One extract (SRB-AI) demonstrated significant COX1 and COX2 inhibitory activities with 50% inhibitory concentration (IC50) values for COX1 and COX2 of 305 and 29 mg=mL, respectively, but no 5-LOX inhibition. The second extract (SRB-AII) inhibited COX1, COX2, and 5-LOX with IC50 values of 310, 19, and 396 mg=mL, respectively. The third extract (SRB-AIII), a blend of SRB-AI and SRB-AIII, inhibited COX1, COX2, and 5-LOX with respective IC50 values of 48, 11, and 197 mg=mL. Analysis of the extracts by direct analysis in real time time of flight-mass spectrometry revealed that SRB-AI, SRB-AII, and SRB-AIII contain over 620, 770, and 810 compounds, respectively. Of these, 17 were identified as key bioactives for COX and=or LOX inhibition. These SRB extracts have applications for functional foods and dietary supplements for control of inflammation and joint health.\n
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\n \n\n \n \n \n \n \n \n Identification of active ingredients in dietary supplements using non-destructive mass spectrometry and liquid chromatography–mass spectrometry.\n \n \n \n \n\n\n \n Saka, K.; Konuma, K.; Asai, S.; Unuma, K.; Nakajima, M.; and Yoshida, K.\n\n\n \n\n\n\n Forensic Science International, 191(1-3): e5–e10. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{saka_identification_2009,\n\ttitle = {Identification of active ingredients in dietary supplements using non-destructive mass spectrometry and liquid chromatography–mass spectrometry},\n\tvolume = {191},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073809002898},\n\tdoi = {10.1016/j.forsciint.2009.07.007},\n\tabstract = {A mid-forties woman purchased seven different dietary supplements from Thailand on the internet and subsequently died after taking these supplements. Since there were no ingredient labels on the supplements, we identified the active ingredients using direct analysis in real time–mass spectrometry (DART–MS), direct exposure probe–MS (DEP–MS), and liquid chromatography–MS (LC–MS). DART–MS gives exact molecular weights and DEP–MS shows the fragmentation of a molecule by electron ionization. Analyses using these two instruments are rapid and do not require extraction of the sample. The compounds predicted by DART–MS and DEP–MS were confirmed by LC–MS and the active ingredients of the seven dietary supplements were identified.},\n\tnumber = {1-3},\n\turldate = {2012-04-18},\n\tjournal = {Forensic Science International},\n\tauthor = {Saka, Kanju and Konuma, Kiyotaka and Asai, Shigehiro and Unuma, Kana and Nakajima, Makoto and Yoshida, Ken-ichi},\n\tyear = {2009},\n\tkeywords = {Dietary supplements; Direct analysis in real time; Direct exposure probe; Liquid chromatography–mass spectrometry; AccuTOF},\n\tpages = {e5--e10},\n}\n\n\n\n
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\n A mid-forties woman purchased seven different dietary supplements from Thailand on the internet and subsequently died after taking these supplements. Since there were no ingredient labels on the supplements, we identified the active ingredients using direct analysis in real time–mass spectrometry (DART–MS), direct exposure probe–MS (DEP–MS), and liquid chromatography–MS (LC–MS). DART–MS gives exact molecular weights and DEP–MS shows the fragmentation of a molecule by electron ionization. Analyses using these two instruments are rapid and do not require extraction of the sample. The compounds predicted by DART–MS and DEP–MS were confirmed by LC–MS and the active ingredients of the seven dietary supplements were identified.\n
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\n \n\n \n \n \n \n \n \"Soft\" or \"hard\" ionisation? Investigation of metastable gas temperature effect on direct analysis in real-time analysis of Voriconazole.\n \n \n \n\n\n \n Lapthorn, C.; and Pullen, F.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 15(5): 587–593. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{lapthorn_soft_2009,\n\ttitle = {"{Soft}" or "hard" ionisation? {Investigation} of metastable gas temperature effect on direct analysis in real-time analysis of {Voriconazole}},\n\tvolume = {15},\n\tissn = {1469-0667},\n\tdoi = {10.1255/ejms.1022},\n\tabstract = {The performance of the direct analysis in real-time (DART) technique was evaluated across a range of metastable gas temperatures for a pharmaceutical compound, Voriconazole, in order to investigate the effect of metastable gas temperature on molecular ion intensity and fragmentation. The DART source has been used to analyse a range of analytes and from a range of matrices including drugs in solid tablet form and preparations, active ingredients in ointment, naturally occurring plant alkaloids, flavours and fragrances, from thin layer chromatography (TLC) plates, melting point tubes and biological matrices including hair, urine and blood. The advantages of this technique include rapid analysis time (as little as 5 s), a reduction in sample preparation requirements, elimination of mobile phase requirement and analysis of samples not typically amenable to atmospheric pressure ionisation (API) techniques. This technology has therefore been proposed as an everyday tool for identification of components in crude organic reaction mixtures.},\n\tnumber = {5},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Lapthorn, Cris and Pullen, Frank},\n\tyear = {2009},\n\tkeywords = {Waters Quad},\n\tpages = {587--593},\n}\n\n\n\n
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\n The performance of the direct analysis in real-time (DART) technique was evaluated across a range of metastable gas temperatures for a pharmaceutical compound, Voriconazole, in order to investigate the effect of metastable gas temperature on molecular ion intensity and fragmentation. The DART source has been used to analyse a range of analytes and from a range of matrices including drugs in solid tablet form and preparations, active ingredients in ointment, naturally occurring plant alkaloids, flavours and fragrances, from thin layer chromatography (TLC) plates, melting point tubes and biological matrices including hair, urine and blood. The advantages of this technique include rapid analysis time (as little as 5 s), a reduction in sample preparation requirements, elimination of mobile phase requirement and analysis of samples not typically amenable to atmospheric pressure ionisation (API) techniques. This technology has therefore been proposed as an everyday tool for identification of components in crude organic reaction mixtures.\n
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\n \n\n \n \n \n \n \n Rapid and nondestructive analysis of phthalic acid esters in toys made of poly(vinyl chloride) by direct analysis in real time single-quadrupole mass spectrometry.\n \n \n \n\n\n \n Rothenbacher, T.; and Schwack, W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 23(17): 2829–2835. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{rothenbacher_rapid_2009,\n\ttitle = {Rapid and nondestructive analysis of phthalic acid esters in toys made of poly(vinyl chloride) by direct analysis in real time single-quadrupole mass spectrometry},\n\tvolume = {23},\n\tissn = {1097-0231},\n\tabstract = {In the European Community, selected phthalic acid esters (PAE) are restricted in their use for the manufacture of toys and childcare articles to a content of 0.1\\% by weight. As PAE are mainly used as plasticisers for poly(vinyl chloride) (PVC), a rapid screening method for PVC samples with direct analysis in real time ionisation and single-quadrupole mass spectrometry (DART-MS) was developed. Using the ions for the protonated molecules, a limit of detection (LOD) of 0.05\\% was obtained for benzyl butyl phthalate, bis(2-ethylhexyl) phthalate and diisononyl phthalate, while for dibutyl phthalate, di-n-octyl phthalate and diisodecyl phthalate the LOD was 0.1\\%. Validation of identification by the presence of ammonium adducts and characteristic fragment ions was possible to a content of ge1\\% for all PAE, except for benzyl butyl phthalate (ge5\\%). Based on the fragment ions, bis(2-ethylhexyl) phthalate could clearly be distinguished from di-n-octyl phthalate, if the concentrations were ge5\\% and ge1\\% at measured DART helium temperatures of 130 and 310°C, respectively. The complete analysis of one sample only took about 8 min. At the generally used gas temperature of 130°C, most toy and childcare samples did not sustain damage if their shape fitted into the DART source.},\n\tnumber = {17},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rothenbacher, Thorsten and Schwack, Wolfgang},\n\tyear = {2009},\n\tkeywords = {Agilent Quad},\n\tpages = {2829--2835},\n}\n\n\n\n
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\n In the European Community, selected phthalic acid esters (PAE) are restricted in their use for the manufacture of toys and childcare articles to a content of 0.1% by weight. As PAE are mainly used as plasticisers for poly(vinyl chloride) (PVC), a rapid screening method for PVC samples with direct analysis in real time ionisation and single-quadrupole mass spectrometry (DART-MS) was developed. Using the ions for the protonated molecules, a limit of detection (LOD) of 0.05% was obtained for benzyl butyl phthalate, bis(2-ethylhexyl) phthalate and diisononyl phthalate, while for dibutyl phthalate, di-n-octyl phthalate and diisodecyl phthalate the LOD was 0.1%. Validation of identification by the presence of ammonium adducts and characteristic fragment ions was possible to a content of ge1% for all PAE, except for benzyl butyl phthalate (ge5%). Based on the fragment ions, bis(2-ethylhexyl) phthalate could clearly be distinguished from di-n-octyl phthalate, if the concentrations were ge5% and ge1% at measured DART helium temperatures of 130 and 310°C, respectively. The complete analysis of one sample only took about 8 min. At the generally used gas temperature of 130°C, most toy and childcare samples did not sustain damage if their shape fitted into the DART source.\n
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\n \n\n \n \n \n \n \n Eucalypt smoke and wildfires: Temperature dependent emissions of biogenic volatile organic compounds.\n \n \n \n\n\n \n Maleknia, S.; Bell, T.; and Adam, M.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 279(2-3): 126–133. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{maleknia_eucalypt_2009,\n\ttitle = {Eucalypt smoke and wildfires: {Temperature} dependent emissions of biogenic volatile organic compounds},\n\tvolume = {279},\n\tabstract = {Eucalypt contributions to biogenic sources of volatile organic compounds (VOCs) in Australia are estimated at teragram (Tg = 1012 g) amounts each year. Biogenic VOCs include plant-specific isoprenoids (isoprene and a range of terpenes) and other reactive organic compounds (i.e., acids, aldehydes and ketones). Atmospheric reactions of VOCs are numerous and many have significant environmental impact. Wildfires\nincrease both the amounts of VOCs released and the complexity of their reactions. Proton-transfer reaction mass spectrometry (PTR-MS), gas chromatography mass spectrometry (GCMS) and direct analysis in real time (DART) mass spectrometry were applied to analyze release of VOCs as a function of temperatures ranging from ambient to combustion. PTR-MS enabled trace level analysis of VOCs from a complex\nforest atmosphere and revealed the release of terpenes associated with leaf damage during a storm. Temperature profile studies revealed ion abundances (i.e., emissions of VOCs) could be correlated with boiling points and vapor pressures of specific compounds. PTR-MS analysis of VOCs resulting from heating fresh leaf (E. grandis) material suggested that emissions of protonated methanol (m/z 33) and protonated\nacetaldehyde (m/z 45) were greatest at {\\textasciitilde}60 ◦C while m/z 137 and 153 (associated with a series of terpenes) showed monotonic increases in ion abundance over a wide temperature range from ambient to 200 ◦C. GCMS analysis of fresh and senescent leaves of E. grandis showed that a series of VOCs (ethylvinylketone, diethylketone, 2-ethylfuran, hexanal and hexenals) are present only in fresh leaves while several terpenes ( and  pinenes, -phellandrene, eucalyptol, -terpinene) were common in both. DART analysis of fresh leaf and stem of E. sideroxylon identified tissue-specific VOCs (e.g., methanol and ethanol were more abundant in stems). PTR-MS combustion studies of senescent leaves (E. grandis) identified two distinct, temperature-dependent VOC compositions. Before the appearance of smoke, the composition of VOCs remained consistent and correlated well with various naturally occurring isoprenoids, as observed in temperature profile studies. Sampling of eucalypt smoke suggested ions (m/z 75, 85, 87, 99, 111 and 125) correlated with protonated mass of oxygenated aldehydes, ketones, furans and substituted benzenes, and were due to pyrolysis of polycarbohydrates (cellulose and lignin) that are common in many types of wood.},\n\tnumber = {2-3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Maleknia, S.D. and Bell, T.L. and Adam, M.A.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {126--133},\n}\n\n\n\n
\n
\n\n\n
\n Eucalypt contributions to biogenic sources of volatile organic compounds (VOCs) in Australia are estimated at teragram (Tg = 1012 g) amounts each year. Biogenic VOCs include plant-specific isoprenoids (isoprene and a range of terpenes) and other reactive organic compounds (i.e., acids, aldehydes and ketones). Atmospheric reactions of VOCs are numerous and many have significant environmental impact. Wildfires increase both the amounts of VOCs released and the complexity of their reactions. Proton-transfer reaction mass spectrometry (PTR-MS), gas chromatography mass spectrometry (GCMS) and direct analysis in real time (DART) mass spectrometry were applied to analyze release of VOCs as a function of temperatures ranging from ambient to combustion. PTR-MS enabled trace level analysis of VOCs from a complex forest atmosphere and revealed the release of terpenes associated with leaf damage during a storm. Temperature profile studies revealed ion abundances (i.e., emissions of VOCs) could be correlated with boiling points and vapor pressures of specific compounds. PTR-MS analysis of VOCs resulting from heating fresh leaf (E. grandis) material suggested that emissions of protonated methanol (m/z 33) and protonated acetaldehyde (m/z 45) were greatest at ~60 ◦C while m/z 137 and 153 (associated with a series of terpenes) showed monotonic increases in ion abundance over a wide temperature range from ambient to 200 ◦C. GCMS analysis of fresh and senescent leaves of E. grandis showed that a series of VOCs (ethylvinylketone, diethylketone, 2-ethylfuran, hexanal and hexenals) are present only in fresh leaves while several terpenes ( and pinenes, -phellandrene, eucalyptol, -terpinene) were common in both. DART analysis of fresh leaf and stem of E. sideroxylon identified tissue-specific VOCs (e.g., methanol and ethanol were more abundant in stems). PTR-MS combustion studies of senescent leaves (E. grandis) identified two distinct, temperature-dependent VOC compositions. Before the appearance of smoke, the composition of VOCs remained consistent and correlated well with various naturally occurring isoprenoids, as observed in temperature profile studies. Sampling of eucalypt smoke suggested ions (m/z 75, 85, 87, 99, 111 and 125) correlated with protonated mass of oxygenated aldehydes, ketones, furans and substituted benzenes, and were due to pyrolysis of polycarbohydrates (cellulose and lignin) that are common in many types of wood.\n
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\n \n\n \n \n \n \n \n \n An Improved Protocol for the Analysis of Alcohols by Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Nilles, J.; and Connell, T.\n\n\n \n\n\n\n American Laboratory, 41(7): 25–27. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramee_improved_2009,\n\ttitle = {An {Improved} {Protocol} for the {Analysis} of {Alcohols} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {41},\n\turl = {http://www.americanlaboratory.com/914-Application-Notes/673-An-Improved-Protocol-for-the-Analysis-of-Alcohols-by-Direct-Analysis-in-Real-Time-Mass-Spectrometry/},\n\tabstract = {It was previously reported1 that when Direct Analysis in Real Time (DART™) (JEOL USA, Inc., Peabody, MA) mass spectrometry was applied to the analysis of very pure alcohols, their mass spectra were unexpectedly complicated. The plethora of peaks was found to be a DART-induced artifact that resulted from the open-air nature of the technique. This problem was solved by converting the alcohol into its corresponding carbamate via an N-hydro-C-alkoxy-addition reaction (reaction 1) with phenyl isocyanate:\n\nROH + C6H5NCO → RO−C(O)NHC6H5 (1)\n\nAlthough this reaction conveniently allows alcohols to be DART’ed, the reaction time ranges from 1 to 16 hr. This obviously led the authors to test the hypothesis that shorter reaction times can be achieved by using activated phenyl isocyanates with proper ring substitution. It is now timely to report these results.},\n\tnumber = {7},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D. and Nilles, J.M. and Connell, T.R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {25--27},\n}\n\n\n\n
\n
\n\n\n
\n It was previously reported1 that when Direct Analysis in Real Time (DART™) (JEOL USA, Inc., Peabody, MA) mass spectrometry was applied to the analysis of very pure alcohols, their mass spectra were unexpectedly complicated. The plethora of peaks was found to be a DART-induced artifact that resulted from the open-air nature of the technique. This problem was solved by converting the alcohol into its corresponding carbamate via an N-hydro-C-alkoxy-addition reaction (reaction 1) with phenyl isocyanate: ROH + C6H5NCO → RO−C(O)NHC6H5 (1) Although this reaction conveniently allows alcohols to be DART’ed, the reaction time ranges from 1 to 16 hr. This obviously led the authors to test the hypothesis that shorter reaction times can be achieved by using activated phenyl isocyanates with proper ring substitution. It is now timely to report these results.\n
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\n \n\n \n \n \n \n \n NADP+-dependent farnesol dehydrogenase, a corpora allata enzyme involved in juvenile hormone synthesis.\n \n \n \n\n\n \n Mayoral, J. G.; Nouzova, M.; Navare, A.; and Noriega, F. G.\n\n\n \n\n\n\n Proceedings of the National Academy of Sciences, 106(50): 21091–21096. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{mayoral_nadp+-dependent_2009,\n\ttitle = {{NADP}+-dependent farnesol dehydrogenase, a corpora allata enzyme involved in juvenile hormone synthesis},\n\tvolume = {106},\n\tdoi = {10.1073/pnas.0909938106},\n\tabstract = {The synthesis of juvenile hormone (JH) is an attractive target for control of insect pests and vectors of disease, but the minute size of the corpora allata (CA), the glands that synthesize JH, has made it difficult to identify important biosynthetic enzymes by classical biochemical approaches. Here, we report identification and characterization of an insect farnesol dehydrogenase (SDR-1) that oxidizes farnesol into farnesal, a precursor of JH, in the CA. SDR-1 was isolated as an EST in a library of the corpora allata-corpora cardiaca of the mosquito . The 245-amino acid protein presents the typical short-chain dehydrogenase (SDR) Rossmann-fold motif for nucleotide binding. This feature, together with other conserved sequence motifs, place SDR-1 into the “classical” NADP-dependent cP2 SDR subfamily. The gene is part of a group of highly conserved paralogs that cluster together in the mosquito genome; similar clusters of orthologs were found in other insect species. SDR-1 acts as a homodimer and efficiently oxidizes C to C isoprenoid and aliphatic alcohols, showing the highest affinity for the conversion of farnesol into farnesal. Farnesol dehydrogenase activity was not detected in the CA of newly emerged mosquitoes but significant activity was detected 24 h later. Real time PCR experiments revealed that SDR-1 mRNA levels were very low in the inactive CA of the newly emerged female, but increased {\\textgreater}30-fold 24 h later during the peak of JH synthesis. These results suggest that oxidation of farnesol might be a rate-limiting step in JH III synthesis in adult mosquitoes.},\n\tnumber = {50},\n\tjournal = {Proceedings of the National Academy of Sciences},\n\tauthor = {Mayoral, Jaime G. and Nouzova, Marcela and Navare, Arti and Noriega, Fernando G.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {21091--21096},\n}\n\n\n\n
\n
\n\n\n
\n The synthesis of juvenile hormone (JH) is an attractive target for control of insect pests and vectors of disease, but the minute size of the corpora allata (CA), the glands that synthesize JH, has made it difficult to identify important biosynthetic enzymes by classical biochemical approaches. Here, we report identification and characterization of an insect farnesol dehydrogenase (SDR-1) that oxidizes farnesol into farnesal, a precursor of JH, in the CA. SDR-1 was isolated as an EST in a library of the corpora allata-corpora cardiaca of the mosquito . The 245-amino acid protein presents the typical short-chain dehydrogenase (SDR) Rossmann-fold motif for nucleotide binding. This feature, together with other conserved sequence motifs, place SDR-1 into the “classical” NADP-dependent cP2 SDR subfamily. The gene is part of a group of highly conserved paralogs that cluster together in the mosquito genome; similar clusters of orthologs were found in other insect species. SDR-1 acts as a homodimer and efficiently oxidizes C to C isoprenoid and aliphatic alcohols, showing the highest affinity for the conversion of farnesol into farnesal. Farnesol dehydrogenase activity was not detected in the CA of newly emerged mosquitoes but significant activity was detected 24 h later. Real time PCR experiments revealed that SDR-1 mRNA levels were very low in the inactive CA of the newly emerged female, but increased \\textgreater30-fold 24 h later during the peak of JH synthesis. These results suggest that oxidation of farnesol might be a rate-limiting step in JH III synthesis in adult mosquitoes.\n
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\n \n\n \n \n \n \n \n Combining Two-Dimensional Diffusion-Ordered Nuclear Magnetic Resonance Spectroscopy, Imaging Desorption Electrospray Ionization Mass Spectrometry, and Direct Analysis in Real-Time Mass Spectrometry for the Integral Investigation of Counterfeit Pharmaceuticals.\n \n \n \n\n\n \n Nyadong, L.; Harris, G. A.; Balayssac, S.; Galhena, A. S.; Malet-Martino, M.; Martino, R.; Parry, R. M.; Wang, M. D.; Fernández, F. M.; and Gilard, V.\n\n\n \n\n\n\n Analytical Chemistry, 81(12): 4803–4812. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nyadong_combining_2009,\n\ttitle = {Combining {Two}-{Dimensional} {Diffusion}-{Ordered} {Nuclear} {Magnetic} {Resonance} {Spectroscopy}, {Imaging} {Desorption} {Electrospray} {Ionization} {Mass} {Spectrometry}, and {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry} for the {Integral} {Investigation} of {Counterfeit} {Pharmaceuticals}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tabstract = {During the past decade, there has been a marked increase in the number of reported cases involving counterfeit medicines in developing and developed countries. Particularly, artesunate-based antimalarial drugs have been targeted, because of their high demand and cost. Counterfeit antimalarials can cause death and can contribute to the growing problem of drug resistance, particularly in southeast Asia. In this study, the complementarity of two-dimensional diffusion-ordered 1H nuclear magnetic resonance spectroscopy (2D DOSY 1H NMR) with direct analysis in real-time mass spectrometry (DART MS) and desorption electrospray ionization mass spectrometry (DESI MS) was assessed for pharmaceutical forensic purposes. Fourteen different artesunate tablets, representative of what can be purchased from informal sources in southeast Asia, were investigated with these techniques. The expected active pharmaceutical ingredient was detected in only five formulations via both nuclear magnetic resonance (NMR) and mass spectrometry (MS) methods. Common organic excipients such as sucrose, lactose, stearate, dextrin, and starch were also detected. The graphical representation of DOSY 1H NMR results proved very useful for establishing similarities among groups of samples, enabling counterfeit drug “chemotyping”. In addition to bulk- and surface-average analyses, spatially resolved information on the surface composition of counterfeit and genuine antimalarial formulations was obtained using DESI MS that was performed in the imaging mode, which enabled one to visualize the homogeneity of both genuine and counterfeit drug samples. Overall, this study suggests that 2D DOSY 1H NMR, combined with ambient MS, comprises a powerful suite of instrumental analysis methodologies for the integral characterization of counterfeit antimalarials.},\n\tnumber = {12},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nyadong, Leonard and Harris, Glenn A. and Balayssac, Stephane and Galhena, Asiri S. and Malet-Martino, Myriam and Martino, Robert and Parry, R. Mitchell and Wang, May Dongmei and Fernández, Facundo M. and Gilard, Veronique},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {4803--4812},\n}\n\n\n\n
\n
\n\n\n
\n During the past decade, there has been a marked increase in the number of reported cases involving counterfeit medicines in developing and developed countries. Particularly, artesunate-based antimalarial drugs have been targeted, because of their high demand and cost. Counterfeit antimalarials can cause death and can contribute to the growing problem of drug resistance, particularly in southeast Asia. In this study, the complementarity of two-dimensional diffusion-ordered 1H nuclear magnetic resonance spectroscopy (2D DOSY 1H NMR) with direct analysis in real-time mass spectrometry (DART MS) and desorption electrospray ionization mass spectrometry (DESI MS) was assessed for pharmaceutical forensic purposes. Fourteen different artesunate tablets, representative of what can be purchased from informal sources in southeast Asia, were investigated with these techniques. The expected active pharmaceutical ingredient was detected in only five formulations via both nuclear magnetic resonance (NMR) and mass spectrometry (MS) methods. Common organic excipients such as sucrose, lactose, stearate, dextrin, and starch were also detected. The graphical representation of DOSY 1H NMR results proved very useful for establishing similarities among groups of samples, enabling counterfeit drug “chemotyping”. In addition to bulk- and surface-average analyses, spatially resolved information on the surface composition of counterfeit and genuine antimalarial formulations was obtained using DESI MS that was performed in the imaging mode, which enabled one to visualize the homogeneity of both genuine and counterfeit drug samples. Overall, this study suggests that 2D DOSY 1H NMR, combined with ambient MS, comprises a powerful suite of instrumental analysis methodologies for the integral characterization of counterfeit antimalarials.\n
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\n \n\n \n \n \n \n \n \n Quantitation of Chemical Warfare Agents Using the Direct Analysis in Real Time (DART) Technique.\n \n \n \n \n\n\n \n Nilles, J. M.; Connell, T. R.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 81(16): 6744–6749. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nilles_quantitation_2009,\n\ttitle = {Quantitation of {Chemical} {Warfare} {Agents} {Using} the {Direct} {Analysis} in {Real} {Time} ({DART}) {Technique}},\n\tvolume = {81},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac900682f},\n\tdoi = {10.1021/ac900682f},\n\tabstract = {Direct analysis in real time (DART) is an ion source that permits rapid mass spectrometric detection of gases, liquids, and solids in open air under ambient conditions. It is a unique technology in the field of chemical weapons detectors in that it does not require a vapor pressure, does not require sample preparation, and is nondestructive to the original sample. While the DART technique has had success as a first line instrument of detection, there have been lingering doubts over the technique’s quantitative reliability and reproducibility. Here, we demonstrate its capability to produce linear calibration curves (R2 = 0.99 or better) for the nerve agents GA, GB, and VX as well as the blister agent HD. Independently prepared check standards measured against these curves typically have recovery errors less than 3\\%. We show the DART instrument response to be linear over roughly 3 orders of magnitude. Furthermore, this study shows that averaging as few as three measurements for each data point is sufficient to produce high quality calibration curves, thus reducing data collection time and providing quicker results.},\n\tnumber = {16},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nilles, J. Michael and Connell, Theresa R. and Durst, H. Dupont},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {6744--6749},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is an ion source that permits rapid mass spectrometric detection of gases, liquids, and solids in open air under ambient conditions. It is a unique technology in the field of chemical weapons detectors in that it does not require a vapor pressure, does not require sample preparation, and is nondestructive to the original sample. While the DART technique has had success as a first line instrument of detection, there have been lingering doubts over the technique’s quantitative reliability and reproducibility. Here, we demonstrate its capability to produce linear calibration curves (R2 = 0.99 or better) for the nerve agents GA, GB, and VX as well as the blister agent HD. Independently prepared check standards measured against these curves typically have recovery errors less than 3%. We show the DART instrument response to be linear over roughly 3 orders of magnitude. Furthermore, this study shows that averaging as few as three measurements for each data point is sufficient to produce high quality calibration curves, thus reducing data collection time and providing quicker results.\n
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\n \n\n \n \n \n \n \n \n Detection of Gamma-Hydroxybutyric Acid in Various Drink Matrices via AccuTOF-DART*.\n \n \n \n \n\n\n \n Bennett, M. J.; and Steiner, R. R.\n\n\n \n\n\n\n Journal of Forensic Sciences, 54(2): 370–375. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{bennett_detection_2009,\n\ttitle = {Detection of {Gamma}-{Hydroxybutyric} {Acid} in {Various} {Drink} {Matrices} via {AccuTOF}-{DART}*},\n\tvolume = {54},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2008.00955.x},\n\tdoi = {10.1111/j.1556-4029.2008.00955.x},\n\tabstract = {Abstract:  A new screening method for detecting gamma-hydroxybutyric acid (GHB) in drink matrices, using the IonSense, Inc. (Saugus, MA) direct analysis in real time (DART) ion source coupled to a JEOL exact mass time-of-flight mass spectrometer (AccuTOF), was validated and compared with the current screening methodology. The DART ion source allows for analysis of samples under ambient conditions with little to no sample preparation. Fifty drink specimens were spiked at levels of 1, 2, 3, and 4 mg/mL GHB, and analyzed on the AccuTOF-DART. Positive detection of GHB occurred for each of the samples at each concentration level, giving 100\\% accuracy for the samples tested. Twenty-five of the 50 drink specimens were spiked at 1 mg/mL GHB and tested using a color test known as the GHB Color Test \\#3. Only two of these 25 specimens tested positive for the presence of GHB, giving only 8\\% accuracy. Implementation of this new methodology as a screening tool for GHB analysis will quickly eliminate negative specimens allowing the examiner to focus analysis time on those that screened positive.},\n\tnumber = {2},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Bennett, Mark J. and Steiner, Robert R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF, Direct analysis in real time, Screening, controlled substances, forensic science, gamma-hydroxybutyrate, gamma-hydroxybutyric acid, mass spectrometry, time of flight},\n\tpages = {370--375},\n}\n\n\n\n
\n
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\n Abstract:  A new screening method for detecting gamma-hydroxybutyric acid (GHB) in drink matrices, using the IonSense, Inc. (Saugus, MA) direct analysis in real time (DART) ion source coupled to a JEOL exact mass time-of-flight mass spectrometer (AccuTOF), was validated and compared with the current screening methodology. The DART ion source allows for analysis of samples under ambient conditions with little to no sample preparation. Fifty drink specimens were spiked at levels of 1, 2, 3, and 4 mg/mL GHB, and analyzed on the AccuTOF-DART. Positive detection of GHB occurred for each of the samples at each concentration level, giving 100% accuracy for the samples tested. Twenty-five of the 50 drink specimens were spiked at 1 mg/mL GHB and tested using a color test known as the GHB Color Test #3. Only two of these 25 specimens tested positive for the presence of GHB, giving only 8% accuracy. Implementation of this new methodology as a screening tool for GHB analysis will quickly eliminate negative specimens allowing the examiner to focus analysis time on those that screened positive.\n
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\n \n\n \n \n \n \n \n Simple and Rapid Screening for Psychotropic Natural Products Using Direct Analysis in Real Time (DART)-TOFMS.\n \n \n \n\n\n \n Kawamura, M.; Kikura-Hanajiri, R.; and Goda, Y.\n\n\n \n\n\n\n Yakugaku Zasshi, 129: 719–725. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{kawamura_simple_2009,\n\ttitle = {Simple and {Rapid} {Screening} for {Psychotropic} {Natural} {Products} {Using} {Direct} {Analysis} in {Real} {Time} ({DART})-{TOFMS}},\n\tvolume = {129},\n\tdoi = {10.1248/yakushi.129.719},\n\tabstract = {Direct Analysis in Real Time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. To investigate the trend of non-controlled psychotropic plants of abuse in Japan, a rapid screening method, without sample preparation, was developed using DART-time of flight mass spectrometer (TOFMS) for plant products. The major psychotropic constituents of these products were determined using liquid chromatography-mass spectrometry (LC/MS). As a result of the DART-TOFMS analyses of 36 products, the protonated molecular ions [M+H]+, corresponding to 6 kinds of major hallucinogenic constituents (mescaline, salvinorin A, N,N-dimethyltryptamine, harmine, harmaline and lysergamide), were detected in 21 products. It was possible to estimate their accurate elemental compositions through exact mass measurements. These results were consistent with those of the LC/MS analyses and the contents of the 6 psychotropic constituents were in the range from 0.05 to 45 μg/mg. Typical controlled narcotic drugs, tetrahydrocannabinol, opioid alkaloids and psilocin were also directly detected in marijuana cigarette, opium gum and magic mushroom respectively. Although it is difficult to estimate the matrix effects caused by other plant ingredients, the DART-TOFMS could be useful as a simple and rapid screening method for the targeted psychotropic natural products, because it provides the molecular information of the target compounds without time-consuming extraction and pre-treatment steps.},\n\tjournal = {Yakugaku Zasshi},\n\tauthor = {Kawamura, M. and Kikura-Hanajiri, R. and Goda, Y.},\n\tyear = {2009},\n\tkeywords = {DART; AccuTOF, Direct Analysis in Real Time (DART); TOFMS; LC/MS; psychotropic plants},\n\tpages = {719--725},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. To investigate the trend of non-controlled psychotropic plants of abuse in Japan, a rapid screening method, without sample preparation, was developed using DART-time of flight mass spectrometer (TOFMS) for plant products. The major psychotropic constituents of these products were determined using liquid chromatography-mass spectrometry (LC/MS). As a result of the DART-TOFMS analyses of 36 products, the protonated molecular ions [M+H]+, corresponding to 6 kinds of major hallucinogenic constituents (mescaline, salvinorin A, N,N-dimethyltryptamine, harmine, harmaline and lysergamide), were detected in 21 products. It was possible to estimate their accurate elemental compositions through exact mass measurements. These results were consistent with those of the LC/MS analyses and the contents of the 6 psychotropic constituents were in the range from 0.05 to 45 μg/mg. Typical controlled narcotic drugs, tetrahydrocannabinol, opioid alkaloids and psilocin were also directly detected in marijuana cigarette, opium gum and magic mushroom respectively. Although it is difficult to estimate the matrix effects caused by other plant ingredients, the DART-TOFMS could be useful as a simple and rapid screening method for the targeted psychotropic natural products, because it provides the molecular information of the target compounds without time-consuming extraction and pre-treatment steps.\n
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\n \n\n \n \n \n \n \n Ambient Mass Spectrometric Detection of Organometallic Compounds Using Direct Analysis in Real Time.\n \n \n \n\n\n \n Borges, D.; Sturgeon, R.; Welz, B.; Curtius, A.; and Mester, Z.\n\n\n \n\n\n\n Analytical Chemistry, 81(23): 9834–9839. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{borges_ambient_2009,\n\ttitle = {Ambient {Mass} {Spectrometric} {Detection} of {Organometallic} {Compounds} {Using} {Direct} {Analysis} in {Real} {Time}},\n\tvolume = {81},\n\tdoi = {10.1021/ac901778n},\n\tabstract = {The present work describes the mass spectrometric detection of organometallic compounds following their atmospheric pressure ionization using a commercial direct analysis in real time (DART) ion source. Several organometallic compounds of As, Fe, Hg, Pb, Se, and Sn were examined, and their corresponding mass spectra as well as induced fragmentation patterns were recorded. Gas phase sampling of the pure organometallic compounds or their solutions prepared in toluene generated temporally stable signals. For the majority of the compounds, the molecular ion or protonated molecule was detected; noticeable exceptions are the tetra-substituted compounds for which their less-substituted species dominated. The organometallic species were used as model compounds for a systematic investigation of the impact of operating parameters of the DART source, including gas temperature and electrode voltages. In general, results have shown that powering the electrodes designed to remove ions from the DART gas stream results in a reduction in signal intensity for most of the compounds investigated, suggesting that charged species from the plasma play an important role in the ionization process of the test analytes.},\n\tnumber = {23},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Borges, D.L.G. and Sturgeon, R.E. and Welz, B. and Curtius, A.J. and Mester, Z.},\n\tyear = {2009},\n\tkeywords = {Thermo LTQ},\n\tpages = {9834--9839},\n}\n\n\n\n
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\n The present work describes the mass spectrometric detection of organometallic compounds following their atmospheric pressure ionization using a commercial direct analysis in real time (DART) ion source. Several organometallic compounds of As, Fe, Hg, Pb, Se, and Sn were examined, and their corresponding mass spectra as well as induced fragmentation patterns were recorded. Gas phase sampling of the pure organometallic compounds or their solutions prepared in toluene generated temporally stable signals. For the majority of the compounds, the molecular ion or protonated molecule was detected; noticeable exceptions are the tetra-substituted compounds for which their less-substituted species dominated. The organometallic species were used as model compounds for a systematic investigation of the impact of operating parameters of the DART source, including gas temperature and electrode voltages. In general, results have shown that powering the electrodes designed to remove ions from the DART gas stream results in a reduction in signal intensity for most of the compounds investigated, suggesting that charged species from the plasma play an important role in the ionization process of the test analytes.\n
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\n \n\n \n \n \n \n \n The Observation of Molecular Ions and Analysis of Nonpolar Compounds with the Direct Analysis in Real Time Ion Source.\n \n \n \n\n\n \n Cody, R. B.\n\n\n \n\n\n\n Analytical Chemistry, 81(3): 1101–1107. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cody_observation_2009,\n\ttitle = {The {Observation} of {Molecular} {Ions} and {Analysis} of {Nonpolar} {Compounds} with the {Direct} {Analysis} in {Real} {Time} {Ion} {Source}},\n\tvolume = {81},\n\tdoi = {10.1021/ac8022108},\n\tabstract = {Positive ions in the direct analysis in real time (DART) ion source are commonly formed by proton transfer. However, the DART source is similar to atmospheric pressure photoionization (APPI) in that it can produce molecular ions as well as protonated molecules, although the two sources differ in the initial ion formation process. This report discusses some of the factors that influence molecular ion formation in DART and shows how the DART source can be used to analyze “difficult” or nonpolar compounds such as alkanes and cholesterol. Trace reagent ions including NO+ and O2+· formed from atmospheric gases are shown to play important roles in DART ionization. The use of the DART source as a gas chromatography/mass spectrometry (GC/MS) interface is demonstrated to show the difference between mass spectra obtained using conditions that favor proton transfer and those that favor molecular ion formation.},\n\tnumber = {3},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Cody, R. B.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1101--1107},\n}\n\n\n\n
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\n Positive ions in the direct analysis in real time (DART) ion source are commonly formed by proton transfer. However, the DART source is similar to atmospheric pressure photoionization (APPI) in that it can produce molecular ions as well as protonated molecules, although the two sources differ in the initial ion formation process. This report discusses some of the factors that influence molecular ion formation in DART and shows how the DART source can be used to analyze “difficult” or nonpolar compounds such as alkanes and cholesterol. Trace reagent ions including NO+ and O2+· formed from atmospheric gases are shown to play important roles in DART ionization. The use of the DART source as a gas chromatography/mass spectrometry (GC/MS) interface is demonstrated to show the difference between mass spectra obtained using conditions that favor proton transfer and those that favor molecular ion formation.\n
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\n \n\n \n \n \n \n \n Identification of a cannabimimetic indole as a designer drug in a herbal product.\n \n \n \n\n\n \n Uchiyama, N.; Kikura-Hanajiri, R.; Kawahara, N.; and Goda, Y.\n\n\n \n\n\n\n Forensic Toxicology, 27(2): 61–66. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{uchiyama_identification_2009,\n\ttitle = {Identification of a cannabimimetic indole as a designer drug in a herbal product},\n\tvolume = {27},\n\tnumber = {2},\n\tjournal = {Forensic Toxicology},\n\tauthor = {Uchiyama, N. and Kikura-Hanajiri, R. and Kawahara, N. and Goda, Y.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {61--66},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Assessing direct analysis in real-time-mass spectrometry (DART-MS) for the rapid identification of additives in food packaging.\n \n \n \n \n\n\n \n Ackerman, L.; Noonan, G.; and Begley, T.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 26(12): 1611–1618. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AssessingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{ackerman_assessing_2009,\n\ttitle = {Assessing direct analysis in real-time-mass spectrometry ({DART}-{MS}) for the rapid identification of additives in food packaging},\n\tvolume = {26},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/02652030903232753},\n\tdoi = {10.1080/02652030903232753},\n\tabstract = {The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.\nThe ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.},\n\tnumber = {12},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Ackerman, L.K. and Noonan, G.O. and Begley, T.H.},\n\tyear = {2009},\n\tkeywords = {in-house validation; screening assays; food-contact materials; packaging additives; paper; plastics; Waters Triple Quad},\n\tpages = {1611--1618},\n}\n\n\n\n
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\n The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement. The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.\n
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\n \n\n \n \n \n \n \n Simulations and Experimental Investigation of Atmospheric Transport in an Ambient Metastable-Induced Chemical Ionization Source.\n \n \n \n\n\n \n Harris, G. A.; and Fernandez, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 81(1): 322–329. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{harris_simulations_2009,\n\ttitle = {Simulations and {Experimental} {Investigation} of {Atmospheric} {Transport} in an {Ambient} {Metastable}-{Induced} {Chemical} {Ionization} {Source}},\n\tvolume = {81},\n\tdoi = {10.1021/ac802117u},\n\tabstract = {Since its inception, Direct Analysis in Real Time (DART) has seen utility in a wide range of applications including chemical reaction monitoring, pharmaceutical screening, and forensic mass spectrometry. Despite the growing interest in DART applications, there has been limited research into the fundamental physiochemical phenomena affecting sampling, ionization, and atmospheric ion transport. Presented here are the first experimentally validated finite element method simulations of an ambient DART-type metastable-induced chemical ionization source. It was found that complex coupled fluid dynamics, heat transfer, and electrostatic phenomena within the sampling region determine the variability in ion transmission efficiencies affecting the overall sensitivity of analysis. Particle tracing plots of a circular acetaminophen tablet placed in various positions and orientations yielded insight into optimal sample placement and evidence for sweet spots conducive to better ion transport. Experiments in a wide range of electric field conditions were performed, finding that under optimum sample placement, sensitivity could be improved by as much as 128\\% if ion mobility contributions were minimized.},\n\tnumber = {1},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Harris, Glenn A. and Fernandez, Facundo M.},\n\tyear = {2009},\n\tkeywords = {simulation},\n\tpages = {322--329},\n}\n\n\n\n
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\n Since its inception, Direct Analysis in Real Time (DART) has seen utility in a wide range of applications including chemical reaction monitoring, pharmaceutical screening, and forensic mass spectrometry. Despite the growing interest in DART applications, there has been limited research into the fundamental physiochemical phenomena affecting sampling, ionization, and atmospheric ion transport. Presented here are the first experimentally validated finite element method simulations of an ambient DART-type metastable-induced chemical ionization source. It was found that complex coupled fluid dynamics, heat transfer, and electrostatic phenomena within the sampling region determine the variability in ion transmission efficiencies affecting the overall sensitivity of analysis. Particle tracing plots of a circular acetaminophen tablet placed in various positions and orientations yielded insight into optimal sample placement and evidence for sweet spots conducive to better ion transport. Experiments in a wide range of electric field conditions were performed, finding that under optimum sample placement, sensitivity could be improved by as much as 128% if ion mobility contributions were minimized.\n
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\n \n\n \n \n \n \n \n Desorption Electrospray/Metastable-Induced Ionization: A Flexible Multimode Ambient Ion Generation Technique.\n \n \n \n\n\n \n Nyadong, L.; Galhena, A. S.; and Fernandez, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 81(18): 7788–7794. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{nyadong_desorption_2009,\n\ttitle = {Desorption {Electrospray}/{Metastable}-{Induced} {Ionization}: {A} {Flexible} {Multimode} {Ambient} {Ion} {Generation} {Technique}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tdoi = {10.1021/ac9014098},\n\tabstract = {Presented here is a novel multimode ambient ion source termed desorption electrospray/metastable-induced ionization (DEMI), which integrates the benefits and circumvents some of the limitations of desorption electrospray ionization (DESI, polarity range limited) and direct analysis in real time (DART)-type metastable-induced chemical ionization (MICI, molecular weight limited). This ion source allows three unique operation modes, each with unique capabilities, including spray (DESI-like)-only, MICI-only, and DEMI (multimode), and can be thus operated in each of these modes allowing the detection of a wider range of analytes of interest. Ion source operation in the MICI-only mode is particularly well suited for the analysis of low-polarity, low-molecular weight compounds in powdered, solid, or dissolved samples. Operation of the ion source in spray-only mode shows superior performance for the analysis of high-molecular weight, high-polarity compounds over the MICI-only mode. Heating the nebulizer gas in spray-only mode allows improved analyte solubility in the spray solvent, enabling up to an order of magnitude improvement in sensitivity. Perhaps the most appealing mode of operation of the ion source is the DEMI mode which allows the simultaneous detection of compounds within a much broader range of polarities and molecular weights than each of the individual modes. For drug quality screening and counterfeit detection applications, operation in the DEMI mode results in the generation of both protonated and sodiated analytes. The observation of such complementary ionic species facilitates compound identification when investigating unknowns.},\n\tnumber = {18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nyadong, Leonard and Galhena, Asiri S. and Fernandez, Facundo M.},\n\tyear = {2009},\n\tkeywords = {Thermo LCQ},\n\tpages = {7788--7794},\n}\n\n\n\n
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\n Presented here is a novel multimode ambient ion source termed desorption electrospray/metastable-induced ionization (DEMI), which integrates the benefits and circumvents some of the limitations of desorption electrospray ionization (DESI, polarity range limited) and direct analysis in real time (DART)-type metastable-induced chemical ionization (MICI, molecular weight limited). This ion source allows three unique operation modes, each with unique capabilities, including spray (DESI-like)-only, MICI-only, and DEMI (multimode), and can be thus operated in each of these modes allowing the detection of a wider range of analytes of interest. Ion source operation in the MICI-only mode is particularly well suited for the analysis of low-polarity, low-molecular weight compounds in powdered, solid, or dissolved samples. Operation of the ion source in spray-only mode shows superior performance for the analysis of high-molecular weight, high-polarity compounds over the MICI-only mode. Heating the nebulizer gas in spray-only mode allows improved analyte solubility in the spray solvent, enabling up to an order of magnitude improvement in sensitivity. Perhaps the most appealing mode of operation of the ion source is the DEMI mode which allows the simultaneous detection of compounds within a much broader range of polarities and molecular weights than each of the individual modes. For drug quality screening and counterfeit detection applications, operation in the DEMI mode results in the generation of both protonated and sodiated analytes. The observation of such complementary ionic species facilitates compound identification when investigating unknowns.\n
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\n \n\n \n \n \n \n \n Ionization Mechanism of Negative Ion-Direct Analysis in Real Time: A Comparative Study with Negative Ion-Atmospheric Pressure Photoionization.\n \n \n \n\n\n \n Song, L.; Dykstra, A. B.; Yao, H.; and Bartmess, J. E.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(1): 42–50. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{song_ionization_2009,\n\ttitle = {Ionization {Mechanism} of {Negative} {Ion}-{Direct} {Analysis} in {Real} {Time}: {A} {Comparative} {Study} with {Negative} {Ion}-{Atmospheric} {Pressure} {Photoionization}},\n\tvolume = {20},\n\tabstract = {The ionization mechanism of negative ion-direct analysis in real time (NI-DART) has been investigated using over 42 compounds, including fullerenes, perfluorocarbons (PFC), organic explosives, phenols, pentafluorobenzyl (PFB) derivatized phenols, anilines, and carboxylic\nacids, which were previously studied by negative ion-atmospheric pressure photoionization (NI-APPI). NI-DART generated ionization products similar to NI-APPI, which led to four ionization mechanisms, including electron capture (EC), dissociative EC, proton transfer, and\nanion attachment. These four ionization mechanisms make both NI-DART and NI-APPI capable of ionizing a wider range of compounds than negative ion-atmospheric pressure chemical ionization (APCI) or negative ion-electrospray ionization (ESI). As the operation of NI-DART is much easier than that of NI-APPI and the gas-phase ion chemistry of NI-DART is more easily manipulated than that of NI-APPI, NI-DART can be therefore used to study in detail the ionization mechanism of LC/NI-APPI-MS, which would be a powerful methodology for the quantification of low-polarity compounds. Herein, one such application has been further demonstrated in the detection and identification of background ions from LC solvents and APPI dopants, including water, acetonitrile, chloroform, methylene chloride, methanol, 2-propanol, hexanes, heptane, cyclohexane, acetone, tetrahydrofuran (THF), 1,4-dioxane, toluene, and anisole. Possible reaction pathways leading to the formation of these background\nions were further inferred. One of the conclusions from these experiments is that THF and 1,4-dioxane are inappropriate to be used as solvents and/or dopants for LC/NI-APPI-MS due to their high reactivity with source basic ions, leading to many reactant ions in the background.},\n\tnumber = {1},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Song, Liguo and Dykstra, Andrew B. and Yao, Huifang and Bartmess, John E.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {42--50},\n}\n\n\n\n
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\n The ionization mechanism of negative ion-direct analysis in real time (NI-DART) has been investigated using over 42 compounds, including fullerenes, perfluorocarbons (PFC), organic explosives, phenols, pentafluorobenzyl (PFB) derivatized phenols, anilines, and carboxylic acids, which were previously studied by negative ion-atmospheric pressure photoionization (NI-APPI). NI-DART generated ionization products similar to NI-APPI, which led to four ionization mechanisms, including electron capture (EC), dissociative EC, proton transfer, and anion attachment. These four ionization mechanisms make both NI-DART and NI-APPI capable of ionizing a wider range of compounds than negative ion-atmospheric pressure chemical ionization (APCI) or negative ion-electrospray ionization (ESI). As the operation of NI-DART is much easier than that of NI-APPI and the gas-phase ion chemistry of NI-DART is more easily manipulated than that of NI-APPI, NI-DART can be therefore used to study in detail the ionization mechanism of LC/NI-APPI-MS, which would be a powerful methodology for the quantification of low-polarity compounds. Herein, one such application has been further demonstrated in the detection and identification of background ions from LC solvents and APPI dopants, including water, acetonitrile, chloroform, methylene chloride, methanol, 2-propanol, hexanes, heptane, cyclohexane, acetone, tetrahydrofuran (THF), 1,4-dioxane, toluene, and anisole. Possible reaction pathways leading to the formation of these background ions were further inferred. One of the conclusions from these experiments is that THF and 1,4-dioxane are inappropriate to be used as solvents and/or dopants for LC/NI-APPI-MS due to their high reactivity with source basic ions, leading to many reactant ions in the background.\n
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\n \n\n \n \n \n \n \n Direct analysis of curcumin in turmeric by DART-MS.\n \n \n \n\n\n \n Kim, H. J.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,published online. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kim_direct_2009,\n\ttitle = {Direct analysis of curcumin in turmeric by {DART}-{MS}},\n\tissn = {1099-1565},\n\tabstract = {Introduction\nThe new ion source technique, direct analysis in real time (DART) atmospheric pressure ionisation, allows high resolution mass measurements of gas, liquid and solid samples. As DART-MS produces [M + H]+ molecular ions of most compounds, relatively simple and clear mass spectra are obtained even of multi-component samples. In order to take advantage of the capacity of DART-MS for the real time analysis of individual compounds in natural raw materials, a pilot study was performed using the well-known antioxidant botanical drug, turmeric.\n\nObjective\nTo establish the analysis methods of curcumin and its derivatives from various types of samples with DART-MS and compare the efficiency of the method with traditional HPLC method.\n\nResults\nDifferent curcuminoids were successfully detected directly from the raw particles of Curcuma longa. When a turmeric extract was separated on a TLC plate, each band produced molecular ion peaks corresponding to curcumin, demethoxycurcumin and bisdemethoxycurcumin. Molecular ions of curcuminoids in turmeric-containing beverages and curry powder were also efficiently detected. In addition to high efficiency of qualitative analysis, the evaluation of its linearity showed that DART-MS can be applied for semi-quantitative determinations of curcumin over a large range (5-100 µg/mL).\n\nConclusion\nA simple chemical profiling and semi-quantitative method for natural products using DART-MS might be applied to diverse field related quality control of medicinal plants or food ingredients.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Jang, Young Pyo},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {published online},\n}\n\n\n\n
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\n Introduction The new ion source technique, direct analysis in real time (DART) atmospheric pressure ionisation, allows high resolution mass measurements of gas, liquid and solid samples. As DART-MS produces [M + H]+ molecular ions of most compounds, relatively simple and clear mass spectra are obtained even of multi-component samples. In order to take advantage of the capacity of DART-MS for the real time analysis of individual compounds in natural raw materials, a pilot study was performed using the well-known antioxidant botanical drug, turmeric. Objective To establish the analysis methods of curcumin and its derivatives from various types of samples with DART-MS and compare the efficiency of the method with traditional HPLC method. Results Different curcuminoids were successfully detected directly from the raw particles of Curcuma longa. When a turmeric extract was separated on a TLC plate, each band produced molecular ion peaks corresponding to curcumin, demethoxycurcumin and bisdemethoxycurcumin. Molecular ions of curcuminoids in turmeric-containing beverages and curry powder were also efficiently detected. In addition to high efficiency of qualitative analysis, the evaluation of its linearity showed that DART-MS can be applied for semi-quantitative determinations of curcumin over a large range (5-100 µg/mL). Conclusion A simple chemical profiling and semi-quantitative method for natural products using DART-MS might be applied to diverse field related quality control of medicinal plants or food ingredients.\n
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\n \n\n \n \n \n \n \n Temperature-dependent release of volatile organic compounds of eucalypts by direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Maleknia, S. D.; Vail, T. M.; Cody, R. B.; Sparkman, D. O.; Bell, T. L.; and Adams, M. A.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 23(15): 2241–2246. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{maleknia_temperature-dependent_2009,\n\ttitle = {Temperature-dependent release of volatile organic compounds of eucalypts by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {23},\n\tissn = {1097-0231},\n\tabstract = {A method is described for the rapid identification of biogenic, volatile organic compounds (VOCs) emitted by plants, including the analysis of the temperature dependence of those emissions. Direct analysis in real time (DART) enabled ionization of VOCs from stem and leaf of several eucalyptus species including E. cinerea, E. citriodora, E. nicholii and E. sideroxylon. Plant tissues were placed directly in the gap between the DART ionization source skimmer and the capillary inlet of the time-of-flight (TOF) mass spectrometer. Temperature-dependent emission of VOCs was achieved by adjusting the temperature of the helium gas into the DART ionization source at 50, 100, 200 and 300°C, which enabled direct evaporation of compounds, up to the onset of pyrolysis of plant fibres (i.e. cellulose and lignin). Accurate mass measurements facilitated by TOF mass spectrometry provided elemental compositions for the VOCs. A wide range of compounds was detected from simple organic compounds (i.e. methanol and acetone) to a series of monoterpenes (i.e. pinene, camphene, cymene, eucalyptol) common to many plant species, as well as several less abundant sesquiterpenes and flavonoids (i.e. naringenin, spathulenol, eucalyptin) with antioxidant and antimicrobial properties. The leaf and stem tissues for all four eucalypt species showed similar compounds. The relative abundances of methanol and ethanol were greater in stem wood than in leaf tissue suggesting that DART could be used to investigate the tissue-specific transport and emissions of VOCs.},\n\tnumber = {15},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Maleknia, Simin D. and Vail, Teresa M. and Cody, Robert B. and Sparkman, David O. and Bell, Tina L. and Adams, Mark A.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {2241--2246},\n}\n\n\n\n
\n
\n\n\n
\n A method is described for the rapid identification of biogenic, volatile organic compounds (VOCs) emitted by plants, including the analysis of the temperature dependence of those emissions. Direct analysis in real time (DART) enabled ionization of VOCs from stem and leaf of several eucalyptus species including E. cinerea, E. citriodora, E. nicholii and E. sideroxylon. Plant tissues were placed directly in the gap between the DART ionization source skimmer and the capillary inlet of the time-of-flight (TOF) mass spectrometer. Temperature-dependent emission of VOCs was achieved by adjusting the temperature of the helium gas into the DART ionization source at 50, 100, 200 and 300°C, which enabled direct evaporation of compounds, up to the onset of pyrolysis of plant fibres (i.e. cellulose and lignin). Accurate mass measurements facilitated by TOF mass spectrometry provided elemental compositions for the VOCs. A wide range of compounds was detected from simple organic compounds (i.e. methanol and acetone) to a series of monoterpenes (i.e. pinene, camphene, cymene, eucalyptol) common to many plant species, as well as several less abundant sesquiterpenes and flavonoids (i.e. naringenin, spathulenol, eucalyptin) with antioxidant and antimicrobial properties. The leaf and stem tissues for all four eucalypt species showed similar compounds. The relative abundances of methanol and ethanol were greater in stem wood than in leaf tissue suggesting that DART could be used to investigate the tissue-specific transport and emissions of VOCs.\n
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\n \n\n \n \n \n \n \n Rapid Semi-Quantitative Surface Mapping of Airborne-Dispersed Chemicals Using Mass Spectrometry.\n \n \n \n\n\n \n Grange, A.\n\n\n \n\n\n\n Environmental Forensics, 10(3): 183–195. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_rapid_2009,\n\ttitle = {Rapid {Semi}-{Quantitative} {Surface} {Mapping} of {Airborne}-{Dispersed} {Chemicals} {Using} {Mass} {Spectrometry}},\n\tvolume = {10},\n\tabstract = {Chemicals can be dispersed accidentally, deliberately, or by weather-related events. Rapid mapping of contaminant distributions is necessary to assess exposure risks and to plan remediation, when needed. Ten pulverized aspirin or NoDozTM tablets containing caffeine were dispersed across a concrete driveway using the exhaust port of a shop vacuum cleaner. Water-soaked, cotton swabs were used to collect wipe samples from 100 cm2 areas within a 7 x 12 grid pattern to map the caffeine distribution. An autosampler/Direct Analysis in Real Time (DARTTM)/time-of-flight mass spectrometer was used to acquire ion chromatograms for the [M+H]+ semi-quantitation ion (m/z 195). Prior to analysis, unheated, non-energized helium gas was blown across the swabs to remove debris that could plug the cone orifice. Carry over was mitigated by interspersing wipe sample swabs with water-soaked swabs to provide hot water vapor to clean the region around the cone orifice into the mass spectrometer between sample swabs. Carry over was further reduced relative to the ion abundances from analyte peaks by acquiring data a second time. Remaining carry over was seen as ion abundance plateaus in ion chromatograms before and after each analyte peak. The higher plateau was treated as the baseline for each analyte peak by a macro procedure written in Lotus 123TM. A second macro procedure plotted multi-color, semi-quantitation maps for high, moderate, low, and non-detect levels of caffeine.},\n\tnumber = {3},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, A.H.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {183--195},\n}\n\n\n\n\n\n\n\n
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\n Chemicals can be dispersed accidentally, deliberately, or by weather-related events. Rapid mapping of contaminant distributions is necessary to assess exposure risks and to plan remediation, when needed. Ten pulverized aspirin or NoDozTM tablets containing caffeine were dispersed across a concrete driveway using the exhaust port of a shop vacuum cleaner. Water-soaked, cotton swabs were used to collect wipe samples from 100 cm2 areas within a 7 x 12 grid pattern to map the caffeine distribution. An autosampler/Direct Analysis in Real Time (DARTTM)/time-of-flight mass spectrometer was used to acquire ion chromatograms for the [M+H]+ semi-quantitation ion (m/z 195). Prior to analysis, unheated, non-energized helium gas was blown across the swabs to remove debris that could plug the cone orifice. Carry over was mitigated by interspersing wipe sample swabs with water-soaked swabs to provide hot water vapor to clean the region around the cone orifice into the mass spectrometer between sample swabs. Carry over was further reduced relative to the ion abundances from analyte peaks by acquiring data a second time. Remaining carry over was seen as ion abundance plateaus in ion chromatograms before and after each analyte peak. The higher plateau was treated as the baseline for each analyte peak by a macro procedure written in Lotus 123TM. A second macro procedure plotted multi-color, semi-quantitation maps for high, moderate, low, and non-detect levels of caffeine.\n
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\n \n\n \n \n \n \n \n Ambient mass spectrometry employing direct analysis in real time (DART) ion source for olive oil quality and authenticity assessment.\n \n \n \n\n\n \n Vaclavik, L.; Cajka, T.; Hrbek, V.; and Hajslova, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 645(1-2): 56–63. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{vaclavik_ambient_2009,\n\ttitle = {Ambient mass spectrometry employing direct analysis in real time ({DART}) ion source for olive oil quality and authenticity assessment},\n\tvolume = {645},\n\tdoi = {10.1016/j.aca.2009.04.043},\n\tabstract = {A novel approach for the authentication of olive oil samples representing different quality grades has been developed. A new type of ion source, direct analysis in real time (DART), coupled to a high-resolution time-of-flight mass spectrometer (TOFMS) was employed for the comprehensive profiling of triacylglycerols (TAGs) and/or polar compounds extracted with a methanol–water mixture. The main parameters influencing the ionization efficiency of TAGs were the type of sample solvent, degree of sample dilution, ion beam temperature, and presence of a dopant (ammonia vapors). The ionization yield of polar compounds depended mainly on a content of water in the extract and ion beam temperature. Using DART–TOFMS, not only differentiation among extra virgin olive oil (EVOO), olive pomace oil (OPO) and olive oil (OO) could be easily achieved, but also EVOO adulteration with commonly used adulterant, hazelnut oil (HO), was feasible. Based on the linear discriminant analysis (LDA), the introduced method allowed detection of HO addition of 6 and 15\\% (v/v) when assessing DART–TOFMS mass profiles of polar compounds and TAGs, respectively.},\n\tnumber = {1-2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Vaclavik, Lukas and Cajka, Tomas and Hrbek, Vojtech and Hajslova, J.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {56--63},\n}\n\n\n\n
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\n A novel approach for the authentication of olive oil samples representing different quality grades has been developed. A new type of ion source, direct analysis in real time (DART), coupled to a high-resolution time-of-flight mass spectrometer (TOFMS) was employed for the comprehensive profiling of triacylglycerols (TAGs) and/or polar compounds extracted with a methanol–water mixture. The main parameters influencing the ionization efficiency of TAGs were the type of sample solvent, degree of sample dilution, ion beam temperature, and presence of a dopant (ammonia vapors). The ionization yield of polar compounds depended mainly on a content of water in the extract and ion beam temperature. Using DART–TOFMS, not only differentiation among extra virgin olive oil (EVOO), olive pomace oil (OPO) and olive oil (OO) could be easily achieved, but also EVOO adulteration with commonly used adulterant, hazelnut oil (HO), was feasible. Based on the linear discriminant analysis (LDA), the introduced method allowed detection of HO addition of 6 and 15% (v/v) when assessing DART–TOFMS mass profiles of polar compounds and TAGs, respectively.\n
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\n \n\n \n \n \n \n \n \n Bioanalysis without Sample Cleanup or Chromatography: The Evaluation and Initial Implementation of Direct Analysis in Real Time Ionization Mass Spectrometry for the Quantification of Drugs in Biological Matrixes.\n \n \n \n \n\n\n \n Yu, S.; Crawford, E.; Tice, J.; Musselman, B.; and Wu, J.\n\n\n \n\n\n\n Analytical Chemistry, 81(1): 193–202. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"BioanalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{yu_bioanalysis_2009,\n\ttitle = {Bioanalysis without {Sample} {Cleanup} or {Chromatography}: {The} {Evaluation} and {Initial} {Implementation} of {Direct} {Analysis} in {Real} {Time} {Ionization} {Mass} {Spectrometry} for the {Quantification} of {Drugs} in {Biological} {Matrixes}},\n\tvolume = {81},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Bioanalysis without {Sample} {Cleanup} or {Chromatography}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac801734t},\n\tdoi = {10.1021/ac801734t},\n\tabstract = {Two key bottlenecks in pharmaceutical bioanalysis are sample cleanup and chromatographic separations. Although multiple approaches have been developed in the past decade to either shorten or multiplex these steps, they remain the rate limiting steps as ADME (Absorption, Distribution, Metabolism, and Excretion) property screening is being routinely incorporated into the drug discovery process. In this work, a novel system incorporating an automated Direct Analysis in Real Time (DART) ionization source coupled with a triple-quadrupole mass spectrometer has been developed and evaluated for quantitative bioanalysis. This system has the capability of directly analyzing samples from their biological matrixes and therefore potentially eliminating the need for sample cleanup and chromatographic separations. A LEAP Technologies autosampler was customized to perform the automated sample introduction into the DART beam with high precision, which significantly improved the reproducibility of the method. Additional pumping was applied to the atmospheric pressure inlet on the mass spectrometer to compensate for the increased vacuum load because of the use of high-flow helium by the DART. This resulted in an improvement of detection sensitivity by a factor of 10 to 100 times. Matrix effects for a diversified class of compounds were evaluated directly from untreated raw plasma and were found to range from approximately 0.05 to 0.7. Precision and accuracy were also tested for multiple test compounds over a dynamic range of four orders of magnitude. The system has been used to analyze biological samples from both in vivo pharmacokinetic studies and in vitro microsomal/S9 stability studies, and the results generated were similar to those obtained with conventional LC/MS/MS methods. Overall, this new automated DART-triple quadrupole mass spectrometer system has demonstrated significant potential for high-throughput bioanalysis.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Yu, Shaoxia and Crawford, Elizabeth and Tice, Joe and Musselman, Brian and Wu, Jing-Tao},\n\tyear = {2009},\n\tkeywords = {Applied Biosystems Triple Quad},\n\tpages = {193--202},\n}\n\n\n\n
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\n Two key bottlenecks in pharmaceutical bioanalysis are sample cleanup and chromatographic separations. Although multiple approaches have been developed in the past decade to either shorten or multiplex these steps, they remain the rate limiting steps as ADME (Absorption, Distribution, Metabolism, and Excretion) property screening is being routinely incorporated into the drug discovery process. In this work, a novel system incorporating an automated Direct Analysis in Real Time (DART) ionization source coupled with a triple-quadrupole mass spectrometer has been developed and evaluated for quantitative bioanalysis. This system has the capability of directly analyzing samples from their biological matrixes and therefore potentially eliminating the need for sample cleanup and chromatographic separations. A LEAP Technologies autosampler was customized to perform the automated sample introduction into the DART beam with high precision, which significantly improved the reproducibility of the method. Additional pumping was applied to the atmospheric pressure inlet on the mass spectrometer to compensate for the increased vacuum load because of the use of high-flow helium by the DART. This resulted in an improvement of detection sensitivity by a factor of 10 to 100 times. Matrix effects for a diversified class of compounds were evaluated directly from untreated raw plasma and were found to range from approximately 0.05 to 0.7. Precision and accuracy were also tested for multiple test compounds over a dynamic range of four orders of magnitude. The system has been used to analyze biological samples from both in vivo pharmacokinetic studies and in vitro microsomal/S9 stability studies, and the results generated were similar to those obtained with conventional LC/MS/MS methods. Overall, this new automated DART-triple quadrupole mass spectrometer system has demonstrated significant potential for high-throughput bioanalysis.\n
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\n \n\n \n \n \n \n \n \n Validation of the Direct Analysis in Real Time Source for Use in Forensic Drug Screening.\n \n \n \n \n\n\n \n Steiner, R. R.; and Larson, R. L.\n\n\n \n\n\n\n Journal of Forensic Sciences, 54(3): 617–622. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{steiner_validation_2009,\n\ttitle = {Validation of the {Direct} {Analysis} in {Real} {Time} {Source} for {Use} in {Forensic} {Drug} {Screening}},\n\tvolume = {54},\n\tissn = {00221198, 15564029},\n\turl = {http://doi.wiley.com/10.1111/j.1556-4029.2009.01006.x},\n\tdoi = {10.1111/j.1556-4029.2009.01006.x},\n\tabstract = {The Direct Analysis in Real Time (DART) ion source is a relatively new mass spectrometry technique that is seeing widespread use in chemical analyses world-wide. DART studies include such diverse topics as analysis of flavors and fragrances, melamine in contaminated dog food, differentiation of writing inks, characterization of solid counterfeit drugs, and as a detector for planar chromatography. Validation of this new technique for the rapid screening of forensic evidence for drugs of abuse, utilizing the DART source coupled to an accurate mass time-of-flight mass spectrometer, was conducted. The study consisted of the determination of the lower limit of detection for the method, determination of selectivity and a comparison of this technique to established analytical protocols. Examples of DART spectra are included. The results of this study have allowed the Virginia Department of Forensic Science to incorporate this new technique into their analysis scheme for the screening of solid dosage forms of drugs of abuse.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Steiner, Robert R. and Larson, Robyn L.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {617--622},\n}\n\n\n\n
\n
\n\n\n
\n The Direct Analysis in Real Time (DART) ion source is a relatively new mass spectrometry technique that is seeing widespread use in chemical analyses world-wide. DART studies include such diverse topics as analysis of flavors and fragrances, melamine in contaminated dog food, differentiation of writing inks, characterization of solid counterfeit drugs, and as a detector for planar chromatography. Validation of this new technique for the rapid screening of forensic evidence for drugs of abuse, utilizing the DART source coupled to an accurate mass time-of-flight mass spectrometer, was conducted. The study consisted of the determination of the lower limit of detection for the method, determination of selectivity and a comparison of this technique to established analytical protocols. Examples of DART spectra are included. The results of this study have allowed the Virginia Department of Forensic Science to incorporate this new technique into their analysis scheme for the screening of solid dosage forms of drugs of abuse.\n
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\n \n\n \n \n \n \n \n Determination of the Presence or Absence of Sulfur Materials in Drywall Using Direct Analysis in Real Time in Conjunction with an Accurate-Mass Time-of-Flight Mass Spectrometer.\n \n \n \n\n\n \n Curtis, M. E.; Jones, P. R.; Sparkman, O. D.; and Cody, R. B.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(11): 2082–2086. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{curtis_determination_2009,\n\ttitle = {Determination of the {Presence} or {Absence} of {Sulfur} {Materials} in {Drywall} {Using} {Direct} {Analysis} in {Real} {Time} in {Conjunction} with an {Accurate}-{Mass} {Time}-of-{Flight} {Mass} {Spectrometer}},\n\tvolume = {20},\n\tissn = {1044-0305},\n\tabstract = {Based on the concern about the presence of sulfur materials being in drywall (wallboard), a quick and reliable test to confirm the presence or absence of these materials using direct analysis in real time (DART) mass spectrometry in conjunction with an accurate-mass time-of-flight (TOF) mass spectrometer has been developed and is described here.},\n\tnumber = {11},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Curtis, Matthew E. and Jones, Patrick R. and Sparkman, O. David and Cody, Robert B.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {2082--2086},\n}\n\n\n\n
\n
\n\n\n
\n Based on the concern about the presence of sulfur materials being in drywall (wallboard), a quick and reliable test to confirm the presence or absence of these materials using direct analysis in real time (DART) mass spectrometry in conjunction with an accurate-mass time-of-flight (TOF) mass spectrometer has been developed and is described here.\n
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\n \n\n \n \n \n \n \n Detection of Peroxide and Tetrazine Explosives on Surfaces by Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; Durst, H. D.; Connell, T. R.; and Nilles, J. M.\n\n\n \n\n\n\n American Laboratory Online Edition, 2(2): 1–5. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramee_detection_2009,\n\ttitle = {Detection of {Peroxide} and {Tetrazine} {Explosives} on {Surfaces} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {2},\n\tnumber = {2},\n\tjournal = {American Laboratory Online Edition},\n\tauthor = {Laramée, James A. and Durst, H. Dupont and Connell, Theresa R. and Nilles, J. Michael},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1--5},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Elderberry flavonoids bind to and prevent H1N1 infection in vitro.\n \n \n \n\n\n \n Roschek Jr., B.; Fink, R. C.; McMichael, M. D.; Li, D.; and Alberte, R. S.\n\n\n \n\n\n\n Phytochemistry, 70(10): 1255–1262. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{roschek_jr._elderberry_2009,\n\ttitle = {Elderberry flavonoids bind to and prevent {H1N1} infection in vitro},\n\tvolume = {70},\n\tdoi = {10.1016/j.phytochem.2009.06.003},\n\tabstract = {A ionization technique in mass spectrometry called Direct Analysis in Real Time Mass Spectrometry (DART TOF-MS) coupled with a Direct Binding Assay was used to identify and characterize anti-viral components of an elderberry fruit (Sambucus nigra L.) extract without either derivatization or separation by standard chromatographic techniques. The elderberry extract inhibited Human Influenza A (H1N1) infection in vitro with an IC50 value of 252 ± 34 μg/mL. The Direct Binding Assay established that flavonoids from the elderberry extract bind to H1N1 virions and, when bound, block the ability of the viruses to infect host cells. Two compounds were identified, 5,7,3′,4′-tetra-O-methylquercetin (1) and 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chroman-3-yl-3,4,5-trihydroxycyclohexanecarboxylate (2), as H1N1-bound chemical species. Compound 1 and dihydromyricetin (3), the corresponding 3-hydroxyflavonone of 2, were synthesized and shown to inhibit H1N1 infection in vitro by binding to H1N1 virions, blocking host cell entry and/or recognition. Compound 1 gave an IC50 of 0.13 μg/mL (0.36 μM) for H1N1 infection inhibition, while dihydromyricetin (3) achieved an IC50 of 2.8 μg/mL (8.7 μM). The H1N1 inhibition activities of the elderberry flavonoids compare favorably to the known anti-influenza activities of Oseltamivir (Tamiflu®; 0.32 μM) and Amantadine (27 μM).},\n\tnumber = {10},\n\tjournal = {Phytochemistry},\n\tauthor = {Roschek Jr., Bill and Fink, Ryan C. and McMichael, Matthew D. and Li, Dan and Alberte, Randall S.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1255--1262},\n}\n\n\n\n
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\n A ionization technique in mass spectrometry called Direct Analysis in Real Time Mass Spectrometry (DART TOF-MS) coupled with a Direct Binding Assay was used to identify and characterize anti-viral components of an elderberry fruit (Sambucus nigra L.) extract without either derivatization or separation by standard chromatographic techniques. The elderberry extract inhibited Human Influenza A (H1N1) infection in vitro with an IC50 value of 252 ± 34 μg/mL. The Direct Binding Assay established that flavonoids from the elderberry extract bind to H1N1 virions and, when bound, block the ability of the viruses to infect host cells. Two compounds were identified, 5,7,3′,4′-tetra-O-methylquercetin (1) and 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chroman-3-yl-3,4,5-trihydroxycyclohexanecarboxylate (2), as H1N1-bound chemical species. Compound 1 and dihydromyricetin (3), the corresponding 3-hydroxyflavonone of 2, were synthesized and shown to inhibit H1N1 infection in vitro by binding to H1N1 virions, blocking host cell entry and/or recognition. Compound 1 gave an IC50 of 0.13 μg/mL (0.36 μM) for H1N1 infection inhibition, while dihydromyricetin (3) achieved an IC50 of 2.8 μg/mL (8.7 μM). The H1N1 inhibition activities of the elderberry flavonoids compare favorably to the known anti-influenza activities of Oseltamivir (Tamiflu®; 0.32 μM) and Amantadine (27 μM).\n
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\n \n\n \n \n \n \n \n Screening of Cocaine and Its Metabolites in Human Urine Samples by Direct Analysis in Real-Time Source Coupled to Time-of-Flight Mass Spectrometry After Online Preconcentration Utilizing Microextraction by Packed Sorbent.\n \n \n \n\n\n \n Jagerdeo, E.; and Abdel-Rehim, M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(5): 891–899. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{jagerdeo_screening_2009,\n\ttitle = {Screening of {Cocaine} and {Its} {Metabolites} in {Human} {Urine} {Samples} by {Direct} {Analysis} in {Real}-{Time} {Source} {Coupled} to {Time}-of-{Flight} {Mass} {Spectrometry} {After} {Online} {Preconcentration} {Utilizing} {Microextraction} by {Packed} {Sorbent}},\n\tvolume = {20},\n\tdoi = {10.1016/j.jasms.2009.01.010},\n\tabstract = {Microextraction by packed sorbent (MEPS) has been evaluated for fast screening of drugs of abuse with mass spectrometric detection. In this study, C8 (octyl-silica, useful for nonpolar to moderately polar compounds), ENV+ (hydroxylated polystyrene-divinylbenzene copolymer, for extraction of aliphatic and aromatic polar compounds), Oasis MCX (sulfonic-poly(divinylbenzene-co-N-polyvinyl-pyrrolidone) copolymer), and Clean Screen DAU (mixed mode, ion exchanger for acidic and basic compounds) were used as sorbents for the MEPS. The focus was on fast extraction and preconcentration of the drugs with rapid analysis using a time-of-flight (TOF) mass spectrometer as the detector with direct analysis in a real-time (DART) source. The combination of an analysis time of less than 1 min and accurate mass of the first monoisotopic peak of the analyte and the relative abundances of the peaks in the isotopic clusters provided reliable information for identification. Furthermore, the study sought to demonstrate that it is possible to quantify the analyte of interest using a DART source when an internal standard is used. Of all the sorbents used in the study, Clean Screen DAU performed best for extraction of the analytes from urine. Using Clean Screen DAU to extract spiked samples containing the drugs, linearity was demonstrated for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene with average ranges of: 65–910, 75–1100, 95–1200, and 75–1100 ng/mL (n = 5), respectively. The limits of detection (LOD) for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene were 22.9 ng/mL, 23.7 ng/mL, 4.0 ng/mL, and 9.8 ng/mL respectively, using a signal-to-noise ratio of 3:1.},\n\tnumber = {5},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Jagerdeo, Eshwar and Abdel-Rehim, Mohamed},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {891--899},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n Microextraction by packed sorbent (MEPS) has been evaluated for fast screening of drugs of abuse with mass spectrometric detection. In this study, C8 (octyl-silica, useful for nonpolar to moderately polar compounds), ENV+ (hydroxylated polystyrene-divinylbenzene copolymer, for extraction of aliphatic and aromatic polar compounds), Oasis MCX (sulfonic-poly(divinylbenzene-co-N-polyvinyl-pyrrolidone) copolymer), and Clean Screen DAU (mixed mode, ion exchanger for acidic and basic compounds) were used as sorbents for the MEPS. The focus was on fast extraction and preconcentration of the drugs with rapid analysis using a time-of-flight (TOF) mass spectrometer as the detector with direct analysis in a real-time (DART) source. The combination of an analysis time of less than 1 min and accurate mass of the first monoisotopic peak of the analyte and the relative abundances of the peaks in the isotopic clusters provided reliable information for identification. Furthermore, the study sought to demonstrate that it is possible to quantify the analyte of interest using a DART source when an internal standard is used. Of all the sorbents used in the study, Clean Screen DAU performed best for extraction of the analytes from urine. Using Clean Screen DAU to extract spiked samples containing the drugs, linearity was demonstrated for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene with average ranges of: 65–910, 75–1100, 95–1200, and 75–1100 ng/mL (n = 5), respectively. The limits of detection (LOD) for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene were 22.9 ng/mL, 23.7 ng/mL, 4.0 ng/mL, and 9.8 ng/mL respectively, using a signal-to-noise ratio of 3:1.\n
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\n \n\n \n \n \n \n \n Ionization Mechanism of Positive-Ion Direct Analysis in Real Time: A Transient Microenvironment Concept.\n \n \n \n\n\n \n Song, L.; Gibson, S. C.; Bhandari, D.; Cook, K. D.; and Bartmess, J. E.\n\n\n \n\n\n\n Analytical Chemistry, 81(24): 10080–10088. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{song_ionization_2009,\n\ttitle = {Ionization {Mechanism} of {Positive}-{Ion} {Direct} {Analysis} in {Real} {Time}: {A} {Transient} {Microenvironment} {Concept}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tdoi = {10.1021/ac901122b},\n\tabstract = {A transient microenvironment mechanism (TMEM) is proposed to address matrix effects for direct analysis in real time (DART). When the DART gas stream is in contact with the sample, a transient microenvironment (TME), which can shield analytes from direct ionization, may be generated through the desorption of the matrix containing the analyte. The DART gas stream can directly ionize the matrix molecules, but the analytes will be ionized primarily through gas-phase ion/molecule reactions with the matrix ions. Experimental results showed that as little as 10 nL of liquid or 10 μg of solid was able to generate an efficient TME. Generated TMEs were able to control the ionization of an analyte below an analyte-to-matrix ratio that was dependent on the DART temperature and the boiling points of the analyte and matrix. TMEs generated by common solvents were studied in detail. The ionization of both polar and nonpolar compounds, present in a solvent or another analyte below a ratio of 1:100, were found to be mainly controlled by the generated TMEs at a DART temperature of 300 °C.},\n\tnumber = {24},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Song, Liguo and Gibson, Stephen C. and Bhandari, Deepak and Cook, Kelsey D. and Bartmess, John E.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {10080--10088},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n A transient microenvironment mechanism (TMEM) is proposed to address matrix effects for direct analysis in real time (DART). When the DART gas stream is in contact with the sample, a transient microenvironment (TME), which can shield analytes from direct ionization, may be generated through the desorption of the matrix containing the analyte. The DART gas stream can directly ionize the matrix molecules, but the analytes will be ionized primarily through gas-phase ion/molecule reactions with the matrix ions. Experimental results showed that as little as 10 nL of liquid or 10 μg of solid was able to generate an efficient TME. Generated TMEs were able to control the ionization of an analyte below an analyte-to-matrix ratio that was dependent on the DART temperature and the boiling points of the analyte and matrix. TMEs generated by common solvents were studied in detail. The ionization of both polar and nonpolar compounds, present in a solvent or another analyte below a ratio of 1:100, were found to be mainly controlled by the generated TMEs at a DART temperature of 300 °C.\n
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\n \n\n \n \n \n \n \n \n Alcohols Can Now Be Analyzed by a Direct Analysis in Real-Time Method: Applications for Chemical Warfare Agent Synthesis.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Nilles, J.; and Connell, T.\n\n\n \n\n\n\n American Laboratory, 41(4): 24–27. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AlcoholsPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramee_alcohols_2009,\n\ttitle = {Alcohols {Can} {Now} {Be} {Analyzed} by a {Direct} {Analysis} in {Real}-{Time} {Method}: {Applications} for {Chemical} {Warfare} {Agent} {Synthesis}},\n\tvolume = {41},\n\turl = {http://www.americanlaboratory.com/914-Application-Notes/652-Alcohols-Can-Now-Be-Analyzed-by-a-Direct-Analysis-in-Real-Time-Method-Applications-for-Chemical-Warfare-Agent-Synthesis/},\n\tabstract = {The cardinal principle for an operation involving chemical agents is to limit the potential exposure to a minimum number of personnel, for a minimum period of time, to a minimum amount of the chemical agent consistent with safe and efficient operations.1 This requires that the synthetic schemes be rapid and free from unnecessary by-products that would require otherwise further sample handling. Thus, acid/base chemistries with alcohols as intermediates are often used to synthesize phosphonofluoridates, phosphoramidocyanidate, and phosphonothioates.\n\nDovetailing into the cardinal principle is the need for a rapid chemical analysis method that can accurately confirm the identity and purity of the starting materials, intermediates, and final product(s). In order to accomplish these objectives, the U.S. Army’s Edgewood Chemical Biological Center (ECBC) has been using the Direct Analysis in Real Time (DART™) method (JEOL USA, Inc., Peabody, MA) since 2002.2 Since that time, a flurry of other open-air methods based on the use of metastable species has been seen.\n\nDuring the course of a large synthesis project comprising many organophosphorus compounds and their isotopically labeled analogs, it was observed that the DART datum for labeled alcohol intermediates neither corroborated the nuclear magnetic resonance (NMR) datum nor the GC-MS datum. Yet the data from these three analytical methods were in agreement when the final chemical agent product was analyzed. An investigation was initiated in order to discover the cause of this discrepancy, and a procedure was developed that allowed alcohols and organophosphorus intermediates to be analyzed by DART.},\n\tnumber = {4},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D. and Nilles, J.M. and Connell, T.R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {24--27},\n}\n\n\n\n
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\n The cardinal principle for an operation involving chemical agents is to limit the potential exposure to a minimum number of personnel, for a minimum period of time, to a minimum amount of the chemical agent consistent with safe and efficient operations.1 This requires that the synthetic schemes be rapid and free from unnecessary by-products that would require otherwise further sample handling. Thus, acid/base chemistries with alcohols as intermediates are often used to synthesize phosphonofluoridates, phosphoramidocyanidate, and phosphonothioates. Dovetailing into the cardinal principle is the need for a rapid chemical analysis method that can accurately confirm the identity and purity of the starting materials, intermediates, and final product(s). In order to accomplish these objectives, the U.S. Army’s Edgewood Chemical Biological Center (ECBC) has been using the Direct Analysis in Real Time (DART™) method (JEOL USA, Inc., Peabody, MA) since 2002.2 Since that time, a flurry of other open-air methods based on the use of metastable species has been seen. During the course of a large synthesis project comprising many organophosphorus compounds and their isotopically labeled analogs, it was observed that the DART datum for labeled alcohol intermediates neither corroborated the nuclear magnetic resonance (NMR) datum nor the GC-MS datum. Yet the data from these three analytical methods were in agreement when the final chemical agent product was analyzed. An investigation was initiated in order to discover the cause of this discrepancy, and a procedure was developed that allowed alcohols and organophosphorus intermediates to be analyzed by DART.\n
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\n \n\n \n \n \n \n \n Elementary Guide to Ionization Methods for Mass Spectrometry− Introduction of Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Konuma, K.\n\n\n \n\n\n\n Bunseki, 9: 464–467. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{konuma_elementary_2009,\n\ttitle = {Elementary {Guide} to {Ionization} {Methods} for {Mass} {Spectrometry}− {Introduction} of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {9},\n\tjournal = {Bunseki},\n\tauthor = {Konuma, K.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {464--467},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Pro-Inflammatory Enzymes, Cyclooxygenase 1, Cyclooxygenase 2, and 5-Lipooxygenase, Inhibited by Stabilized Rice Bran Extracts.\n \n \n \n\n\n \n Roschek Jr., B.; Fink, R. C.; Li, D.; McMichael, M.; Tower, C. M.; Smith, R. D.; and Alberte, R. S.\n\n\n \n\n\n\n Journal of Medicinal Food, 12(3): 615–623. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{roschek_jr._pro-inflammatory_2009,\n\ttitle = {Pro-{Inflammatory} {Enzymes}, {Cyclooxygenase} 1, {Cyclooxygenase} 2, and 5-{Lipooxygenase}, {Inhibited} by {Stabilized} {Rice} {Bran} {Extracts}},\n\tvolume = {12},\n\tdoi = {10.1089=jmf.2008.0133},\n\tabstract = {Rice bran, the outer bran and germ of the kernel and a by-product of rice milling, is rich in phytonutrients but\nhas been underutilized because of lipid content instability. New methods for the processing of rice bran have yielded a\nstabilized form that is increasingly used in foods and dietary supplements. Recent studies have documented a role for\nstabilized rice bran (SRB) in treating diabetes and arthritis, although little is known of the bioactive compounds that impart\nthese health benefits. Here we characterize the chemical composition of three extracts of SRB and identify the functional\nbioactives contributing to the inhibitory properties against three key pro-inflammatory enzymes (cyclooxygenase [COX] 1,\nCOX2, and 5-lipoxygenase [5-LOX]) that control the inflammatory cascade involved in impaired joint health, pain, and\narthritis. One extract (SRB-AI) demonstrated significant COX1 and COX2 inhibitory activities with 50\\% inhibitory concentration\n(IC50) values for COX1 and COX2 of 305 and 29 mg=mL, respectively, but no 5-LOX inhibition. The second\nextract (SRB-AII) inhibited COX1, COX2, and 5-LOX with IC50 values of 310, 19, and 396 mg=mL, respectively. The third\nextract (SRB-AIII), a blend of SRB-AI and SRB-AIII, inhibited COX1, COX2, and 5-LOX with respective IC50 values of 48,\n11, and 197 mg=mL. Analysis of the extracts by direct analysis in real time time of flight-mass spectrometry revealed that\nSRB-AI, SRB-AII, and SRB-AIII contain over 620, 770, and 810 compounds, respectively. Of these, 17 were identified as key\nbioactives for COX and=or LOX inhibition. These SRB extracts have applications for functional foods and dietary supplements\nfor control of inflammation and joint health.},\n\tnumber = {3},\n\tjournal = {Journal of Medicinal Food},\n\tauthor = {Roschek Jr., Bill and Fink, Ryan C. and Li, Dan and McMichael, Matthew and Tower, Christine M. and Smith, Robert D. and Alberte, Randall S.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {615--623},\n}\n\n\n\n
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\n Rice bran, the outer bran and germ of the kernel and a by-product of rice milling, is rich in phytonutrients but has been underutilized because of lipid content instability. New methods for the processing of rice bran have yielded a stabilized form that is increasingly used in foods and dietary supplements. Recent studies have documented a role for stabilized rice bran (SRB) in treating diabetes and arthritis, although little is known of the bioactive compounds that impart these health benefits. Here we characterize the chemical composition of three extracts of SRB and identify the functional bioactives contributing to the inhibitory properties against three key pro-inflammatory enzymes (cyclooxygenase [COX] 1, COX2, and 5-lipoxygenase [5-LOX]) that control the inflammatory cascade involved in impaired joint health, pain, and arthritis. One extract (SRB-AI) demonstrated significant COX1 and COX2 inhibitory activities with 50% inhibitory concentration (IC50) values for COX1 and COX2 of 305 and 29 mg=mL, respectively, but no 5-LOX inhibition. The second extract (SRB-AII) inhibited COX1, COX2, and 5-LOX with IC50 values of 310, 19, and 396 mg=mL, respectively. The third extract (SRB-AIII), a blend of SRB-AI and SRB-AIII, inhibited COX1, COX2, and 5-LOX with respective IC50 values of 48, 11, and 197 mg=mL. Analysis of the extracts by direct analysis in real time time of flight-mass spectrometry revealed that SRB-AI, SRB-AII, and SRB-AIII contain over 620, 770, and 810 compounds, respectively. Of these, 17 were identified as key bioactives for COX and=or LOX inhibition. These SRB extracts have applications for functional foods and dietary supplements for control of inflammation and joint health.\n
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\n \n\n \n \n \n \n \n \n Identification of active ingredients in dietary supplements using non-destructive mass spectrometry and liquid chromatography–mass spectrometry.\n \n \n \n \n\n\n \n Saka, K.; Konuma, K.; Asai, S.; Unuma, K.; Nakajima, M.; and Yoshida, K.\n\n\n \n\n\n\n Forensic Science International, 191(1-3): e5–e10. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{saka_identification_2009,\n\ttitle = {Identification of active ingredients in dietary supplements using non-destructive mass spectrometry and liquid chromatography–mass spectrometry},\n\tvolume = {191},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073809002898},\n\tdoi = {10.1016/j.forsciint.2009.07.007},\n\tabstract = {A mid-forties woman purchased seven different dietary supplements from Thailand on the internet and subsequently died after taking these supplements. Since there were no ingredient labels on the supplements, we identified the active ingredients using direct analysis in real time–mass spectrometry (DART–MS), direct exposure probe–MS (DEP–MS), and liquid chromatography–MS (LC–MS). DART–MS gives exact molecular weights and DEP–MS shows the fragmentation of a molecule by electron ionization. Analyses using these two instruments are rapid and do not require extraction of the sample. The compounds predicted by DART–MS and DEP–MS were confirmed by LC–MS and the active ingredients of the seven dietary supplements were identified.},\n\tnumber = {1-3},\n\turldate = {2012-04-18},\n\tjournal = {Forensic Science International},\n\tauthor = {Saka, Kanju and Konuma, Kiyotaka and Asai, Shigehiro and Unuma, Kana and Nakajima, Makoto and Yoshida, Ken-ichi},\n\tyear = {2009},\n\tkeywords = {Dietary supplements; Direct analysis in real time; Direct exposure probe; Liquid chromatography–mass spectrometry; AccuTOF},\n\tpages = {e5--e10},\n}\n\n\n\n
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\n A mid-forties woman purchased seven different dietary supplements from Thailand on the internet and subsequently died after taking these supplements. Since there were no ingredient labels on the supplements, we identified the active ingredients using direct analysis in real time–mass spectrometry (DART–MS), direct exposure probe–MS (DEP–MS), and liquid chromatography–MS (LC–MS). DART–MS gives exact molecular weights and DEP–MS shows the fragmentation of a molecule by electron ionization. Analyses using these two instruments are rapid and do not require extraction of the sample. The compounds predicted by DART–MS and DEP–MS were confirmed by LC–MS and the active ingredients of the seven dietary supplements were identified.\n
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\n \n\n \n \n \n \n \n \"Soft\" or \"hard\" ionisation? Investigation of metastable gas temperature effect on direct analysis in real-time analysis of Voriconazole.\n \n \n \n\n\n \n Lapthorn, C.; and Pullen, F.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 15(5): 587–593. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{lapthorn_soft_2009,\n\ttitle = {"{Soft}" or "hard" ionisation? {Investigation} of metastable gas temperature effect on direct analysis in real-time analysis of {Voriconazole}},\n\tvolume = {15},\n\tissn = {1469-0667},\n\tdoi = {10.1255/ejms.1022},\n\tabstract = {The performance of the direct analysis in real-time (DART) technique was evaluated across a range of metastable gas temperatures for a pharmaceutical compound, Voriconazole, in order to investigate the effect of metastable gas temperature on molecular ion intensity and fragmentation. The DART source has been used to analyse a range of analytes and from a range of matrices including drugs in solid tablet form and preparations, active ingredients in ointment, naturally occurring plant alkaloids, flavours and fragrances, from thin layer chromatography (TLC) plates, melting point tubes and biological matrices including hair, urine and blood. The advantages of this technique include rapid analysis time (as little as 5 s), a reduction in sample preparation requirements, elimination of mobile phase requirement and analysis of samples not typically amenable to atmospheric pressure ionisation (API) techniques. This technology has therefore been proposed as an everyday tool for identification of components in crude organic reaction mixtures.},\n\tnumber = {5},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Lapthorn, Cris and Pullen, Frank},\n\tyear = {2009},\n\tkeywords = {Waters Quad},\n\tpages = {587--593},\n}\n\n\n\n
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\n The performance of the direct analysis in real-time (DART) technique was evaluated across a range of metastable gas temperatures for a pharmaceutical compound, Voriconazole, in order to investigate the effect of metastable gas temperature on molecular ion intensity and fragmentation. The DART source has been used to analyse a range of analytes and from a range of matrices including drugs in solid tablet form and preparations, active ingredients in ointment, naturally occurring plant alkaloids, flavours and fragrances, from thin layer chromatography (TLC) plates, melting point tubes and biological matrices including hair, urine and blood. The advantages of this technique include rapid analysis time (as little as 5 s), a reduction in sample preparation requirements, elimination of mobile phase requirement and analysis of samples not typically amenable to atmospheric pressure ionisation (API) techniques. This technology has therefore been proposed as an everyday tool for identification of components in crude organic reaction mixtures.\n
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\n \n\n \n \n \n \n \n \n An Improved Protocol for the Analysis of Alcohols by Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Nilles, J.; and Connell, T.\n\n\n \n\n\n\n American Laboratory, 41(7): 25–27. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramee_improved_2009,\n\ttitle = {An {Improved} {Protocol} for the {Analysis} of {Alcohols} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {41},\n\turl = {http://www.americanlaboratory.com/914-Application-Notes/673-An-Improved-Protocol-for-the-Analysis-of-Alcohols-by-Direct-Analysis-in-Real-Time-Mass-Spectrometry/},\n\tabstract = {It was previously reported1 that when Direct Analysis in Real Time (DART™) (JEOL USA, Inc., Peabody, MA) mass spectrometry was applied to the analysis of very pure alcohols, their mass spectra were unexpectedly complicated. The plethora of peaks was found to be a DART-induced artifact that resulted from the open-air nature of the technique. This problem was solved by converting the alcohol into its corresponding carbamate via an N-hydro-C-alkoxy-addition reaction (reaction 1) with phenyl isocyanate:\n\nROH + C6H5NCO → RO−C(O)NHC6H5 (1)\n\nAlthough this reaction conveniently allows alcohols to be DART’ed, the reaction time ranges from 1 to 16 hr. This obviously led the authors to test the hypothesis that shorter reaction times can be achieved by using activated phenyl isocyanates with proper ring substitution. It is now timely to report these results.},\n\tnumber = {7},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D. and Nilles, J.M. and Connell, T.R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {25--27},\n}\n\n\n\n
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\n It was previously reported1 that when Direct Analysis in Real Time (DART™) (JEOL USA, Inc., Peabody, MA) mass spectrometry was applied to the analysis of very pure alcohols, their mass spectra were unexpectedly complicated. The plethora of peaks was found to be a DART-induced artifact that resulted from the open-air nature of the technique. This problem was solved by converting the alcohol into its corresponding carbamate via an N-hydro-C-alkoxy-addition reaction (reaction 1) with phenyl isocyanate: ROH + C6H5NCO → RO−C(O)NHC6H5 (1) Although this reaction conveniently allows alcohols to be DART’ed, the reaction time ranges from 1 to 16 hr. This obviously led the authors to test the hypothesis that shorter reaction times can be achieved by using activated phenyl isocyanates with proper ring substitution. It is now timely to report these results.\n
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\n \n\n \n \n \n \n \n Eucalypt smoke and wildfires: Temperature dependent emissions of biogenic volatile organic compounds.\n \n \n \n\n\n \n Maleknia, S.; Bell, T.; and Adam, M.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 279(2-3): 126–133. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{maleknia_eucalypt_2009,\n\ttitle = {Eucalypt smoke and wildfires: {Temperature} dependent emissions of biogenic volatile organic compounds},\n\tvolume = {279},\n\tabstract = {Eucalypt contributions to biogenic sources of volatile organic compounds (VOCs) in Australia are estimated at teragram (Tg = 1012 g) amounts each year. Biogenic VOCs include plant-specific isoprenoids (isoprene and a range of terpenes) and other reactive organic compounds (i.e., acids, aldehydes and ketones). Atmospheric reactions of VOCs are numerous and many have significant environmental impact. Wildfires\nincrease both the amounts of VOCs released and the complexity of their reactions. Proton-transfer reaction mass spectrometry (PTR-MS), gas chromatography mass spectrometry (GCMS) and direct analysis in real time (DART) mass spectrometry were applied to analyze release of VOCs as a function of temperatures ranging from ambient to combustion. PTR-MS enabled trace level analysis of VOCs from a complex\nforest atmosphere and revealed the release of terpenes associated with leaf damage during a storm. Temperature profile studies revealed ion abundances (i.e., emissions of VOCs) could be correlated with boiling points and vapor pressures of specific compounds. PTR-MS analysis of VOCs resulting from heating fresh leaf (E. grandis) material suggested that emissions of protonated methanol (m/z 33) and protonated\nacetaldehyde (m/z 45) were greatest at {\\textasciitilde}60 ◦C while m/z 137 and 153 (associated with a series of terpenes) showed monotonic increases in ion abundance over a wide temperature range from ambient to 200 ◦C. GCMS analysis of fresh and senescent leaves of E. grandis showed that a series of VOCs (ethylvinylketone, diethylketone, 2-ethylfuran, hexanal and hexenals) are present only in fresh leaves while several terpenes ( and  pinenes, -phellandrene, eucalyptol, -terpinene) were common in both. DART analysis of fresh leaf and stem of E. sideroxylon identified tissue-specific VOCs (e.g., methanol and ethanol were more abundant in stems). PTR-MS combustion studies of senescent leaves (E. grandis) identified two distinct, temperature-dependent VOC compositions. Before the appearance of smoke, the composition of VOCs remained consistent and correlated well with various naturally occurring isoprenoids, as observed in temperature profile studies. Sampling of eucalypt smoke suggested ions (m/z 75, 85, 87, 99, 111 and 125) correlated with protonated mass of oxygenated aldehydes, ketones, furans and substituted benzenes, and were due to pyrolysis of polycarbohydrates (cellulose and lignin) that are common in many types of wood.},\n\tnumber = {2-3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Maleknia, S.D. and Bell, T.L. and Adam, M.A.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {126--133},\n}\n\n\n\n
\n
\n\n\n
\n Eucalypt contributions to biogenic sources of volatile organic compounds (VOCs) in Australia are estimated at teragram (Tg = 1012 g) amounts each year. Biogenic VOCs include plant-specific isoprenoids (isoprene and a range of terpenes) and other reactive organic compounds (i.e., acids, aldehydes and ketones). Atmospheric reactions of VOCs are numerous and many have significant environmental impact. Wildfires increase both the amounts of VOCs released and the complexity of their reactions. Proton-transfer reaction mass spectrometry (PTR-MS), gas chromatography mass spectrometry (GCMS) and direct analysis in real time (DART) mass spectrometry were applied to analyze release of VOCs as a function of temperatures ranging from ambient to combustion. PTR-MS enabled trace level analysis of VOCs from a complex forest atmosphere and revealed the release of terpenes associated with leaf damage during a storm. Temperature profile studies revealed ion abundances (i.e., emissions of VOCs) could be correlated with boiling points and vapor pressures of specific compounds. PTR-MS analysis of VOCs resulting from heating fresh leaf (E. grandis) material suggested that emissions of protonated methanol (m/z 33) and protonated acetaldehyde (m/z 45) were greatest at ~60 ◦C while m/z 137 and 153 (associated with a series of terpenes) showed monotonic increases in ion abundance over a wide temperature range from ambient to 200 ◦C. GCMS analysis of fresh and senescent leaves of E. grandis showed that a series of VOCs (ethylvinylketone, diethylketone, 2-ethylfuran, hexanal and hexenals) are present only in fresh leaves while several terpenes ( and pinenes, -phellandrene, eucalyptol, -terpinene) were common in both. DART analysis of fresh leaf and stem of E. sideroxylon identified tissue-specific VOCs (e.g., methanol and ethanol were more abundant in stems). PTR-MS combustion studies of senescent leaves (E. grandis) identified two distinct, temperature-dependent VOC compositions. Before the appearance of smoke, the composition of VOCs remained consistent and correlated well with various naturally occurring isoprenoids, as observed in temperature profile studies. Sampling of eucalypt smoke suggested ions (m/z 75, 85, 87, 99, 111 and 125) correlated with protonated mass of oxygenated aldehydes, ketones, furans and substituted benzenes, and were due to pyrolysis of polycarbohydrates (cellulose and lignin) that are common in many types of wood.\n
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\n \n\n \n \n \n \n \n Rapid and nondestructive analysis of phthalic acid esters in toys made of poly(vinyl chloride) by direct analysis in real time single-quadrupole mass spectrometry.\n \n \n \n\n\n \n Rothenbacher, T.; and Schwack, W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 23(17): 2829–2835. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{rothenbacher_rapid_2009,\n\ttitle = {Rapid and nondestructive analysis of phthalic acid esters in toys made of poly(vinyl chloride) by direct analysis in real time single-quadrupole mass spectrometry},\n\tvolume = {23},\n\tissn = {1097-0231},\n\tabstract = {In the European Community, selected phthalic acid esters (PAE) are restricted in their use for the manufacture of toys and childcare articles to a content of 0.1\\% by weight. As PAE are mainly used as plasticisers for poly(vinyl chloride) (PVC), a rapid screening method for PVC samples with direct analysis in real time ionisation and single-quadrupole mass spectrometry (DART-MS) was developed. Using the ions for the protonated molecules, a limit of detection (LOD) of 0.05\\% was obtained for benzyl butyl phthalate, bis(2-ethylhexyl) phthalate and diisononyl phthalate, while for dibutyl phthalate, di-n-octyl phthalate and diisodecyl phthalate the LOD was 0.1\\%. Validation of identification by the presence of ammonium adducts and characteristic fragment ions was possible to a content of ge1\\% for all PAE, except for benzyl butyl phthalate (ge5\\%). Based on the fragment ions, bis(2-ethylhexyl) phthalate could clearly be distinguished from di-n-octyl phthalate, if the concentrations were ge5\\% and ge1\\% at measured DART helium temperatures of 130 and 310°C, respectively. The complete analysis of one sample only took about 8 min. At the generally used gas temperature of 130°C, most toy and childcare samples did not sustain damage if their shape fitted into the DART source.},\n\tnumber = {17},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rothenbacher, Thorsten and Schwack, Wolfgang},\n\tyear = {2009},\n\tkeywords = {Agilent Quad},\n\tpages = {2829--2835},\n}\n\n\n\n\n\n\n\n
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\n In the European Community, selected phthalic acid esters (PAE) are restricted in their use for the manufacture of toys and childcare articles to a content of 0.1% by weight. As PAE are mainly used as plasticisers for poly(vinyl chloride) (PVC), a rapid screening method for PVC samples with direct analysis in real time ionisation and single-quadrupole mass spectrometry (DART-MS) was developed. Using the ions for the protonated molecules, a limit of detection (LOD) of 0.05% was obtained for benzyl butyl phthalate, bis(2-ethylhexyl) phthalate and diisononyl phthalate, while for dibutyl phthalate, di-n-octyl phthalate and diisodecyl phthalate the LOD was 0.1%. Validation of identification by the presence of ammonium adducts and characteristic fragment ions was possible to a content of ge1% for all PAE, except for benzyl butyl phthalate (ge5%). Based on the fragment ions, bis(2-ethylhexyl) phthalate could clearly be distinguished from di-n-octyl phthalate, if the concentrations were ge5% and ge1% at measured DART helium temperatures of 130 and 310°C, respectively. The complete analysis of one sample only took about 8 min. At the generally used gas temperature of 130°C, most toy and childcare samples did not sustain damage if their shape fitted into the DART source.\n
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\n \n\n \n \n \n \n \n \n Detection of Gamma-Hydroxybutyric Acid in Various Drink Matrices via AccuTOF-DART*.\n \n \n \n \n\n\n \n Bennett, M. J.; and Steiner, R. R.\n\n\n \n\n\n\n Journal of Forensic Sciences, 54(2): 370–375. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{bennett_detection_2009,\n\ttitle = {Detection of {Gamma}-{Hydroxybutyric} {Acid} in {Various} {Drink} {Matrices} via {AccuTOF}-{DART}*},\n\tvolume = {54},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2008.00955.x},\n\tdoi = {10.1111/j.1556-4029.2008.00955.x},\n\tabstract = {Abstract:  A new screening method for detecting gamma-hydroxybutyric acid (GHB) in drink matrices, using the IonSense, Inc. (Saugus, MA) direct analysis in real time (DART) ion source coupled to a JEOL exact mass time-of-flight mass spectrometer (AccuTOF), was validated and compared with the current screening methodology. The DART ion source allows for analysis of samples under ambient conditions with little to no sample preparation. Fifty drink specimens were spiked at levels of 1, 2, 3, and 4 mg/mL GHB, and analyzed on the AccuTOF-DART. Positive detection of GHB occurred for each of the samples at each concentration level, giving 100\\% accuracy for the samples tested. Twenty-five of the 50 drink specimens were spiked at 1 mg/mL GHB and tested using a color test known as the GHB Color Test \\#3. Only two of these 25 specimens tested positive for the presence of GHB, giving only 8\\% accuracy. Implementation of this new methodology as a screening tool for GHB analysis will quickly eliminate negative specimens allowing the examiner to focus analysis time on those that screened positive.},\n\tnumber = {2},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Bennett, Mark J. and Steiner, Robert R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF, Direct analysis in real time, Screening, controlled substances, forensic science, gamma-hydroxybutyrate, gamma-hydroxybutyric acid, mass spectrometry, time of flight},\n\tpages = {370--375},\n}\n\n\n\n
\n
\n\n\n
\n Abstract:  A new screening method for detecting gamma-hydroxybutyric acid (GHB) in drink matrices, using the IonSense, Inc. (Saugus, MA) direct analysis in real time (DART) ion source coupled to a JEOL exact mass time-of-flight mass spectrometer (AccuTOF), was validated and compared with the current screening methodology. The DART ion source allows for analysis of samples under ambient conditions with little to no sample preparation. Fifty drink specimens were spiked at levels of 1, 2, 3, and 4 mg/mL GHB, and analyzed on the AccuTOF-DART. Positive detection of GHB occurred for each of the samples at each concentration level, giving 100% accuracy for the samples tested. Twenty-five of the 50 drink specimens were spiked at 1 mg/mL GHB and tested using a color test known as the GHB Color Test #3. Only two of these 25 specimens tested positive for the presence of GHB, giving only 8% accuracy. Implementation of this new methodology as a screening tool for GHB analysis will quickly eliminate negative specimens allowing the examiner to focus analysis time on those that screened positive.\n
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\n \n\n \n \n \n \n \n \n Quantitation of Chemical Warfare Agents Using the Direct Analysis in Real Time (DART) Technique.\n \n \n \n \n\n\n \n Nilles, J. M.; Connell, T. R.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 81(16): 6744–6749. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{nilles_quantitation_2009,\n\ttitle = {Quantitation of {Chemical} {Warfare} {Agents} {Using} the {Direct} {Analysis} in {Real} {Time} ({DART}) {Technique}},\n\tvolume = {81},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac900682f},\n\tdoi = {10.1021/ac900682f},\n\tabstract = {Direct analysis in real time (DART) is an ion source that permits rapid mass spectrometric detection of gases, liquids, and solids in open air under ambient conditions. It is a unique technology in the field of chemical weapons detectors in that it does not require a vapor pressure, does not require sample preparation, and is nondestructive to the original sample. While the DART technique has had success as a first line instrument of detection, there have been lingering doubts over the technique’s quantitative reliability and reproducibility. Here, we demonstrate its capability to produce linear calibration curves (R2 = 0.99 or better) for the nerve agents GA, GB, and VX as well as the blister agent HD. Independently prepared check standards measured against these curves typically have recovery errors less than 3\\%. We show the DART instrument response to be linear over roughly 3 orders of magnitude. Furthermore, this study shows that averaging as few as three measurements for each data point is sufficient to produce high quality calibration curves, thus reducing data collection time and providing quicker results.},\n\tnumber = {16},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nilles, J. Michael and Connell, Theresa R. and Durst, H. Dupont},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {6744--6749},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is an ion source that permits rapid mass spectrometric detection of gases, liquids, and solids in open air under ambient conditions. It is a unique technology in the field of chemical weapons detectors in that it does not require a vapor pressure, does not require sample preparation, and is nondestructive to the original sample. While the DART technique has had success as a first line instrument of detection, there have been lingering doubts over the technique’s quantitative reliability and reproducibility. Here, we demonstrate its capability to produce linear calibration curves (R2 = 0.99 or better) for the nerve agents GA, GB, and VX as well as the blister agent HD. Independently prepared check standards measured against these curves typically have recovery errors less than 3%. We show the DART instrument response to be linear over roughly 3 orders of magnitude. Furthermore, this study shows that averaging as few as three measurements for each data point is sufficient to produce high quality calibration curves, thus reducing data collection time and providing quicker results.\n
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\n \n\n \n \n \n \n \n Combining Two-Dimensional Diffusion-Ordered Nuclear Magnetic Resonance Spectroscopy, Imaging Desorption Electrospray Ionization Mass Spectrometry, and Direct Analysis in Real-Time Mass Spectrometry for the Integral Investigation of Counterfeit Pharmaceuticals.\n \n \n \n\n\n \n Nyadong, L.; Harris, G. A.; Balayssac, S.; Galhena, A. S.; Malet-Martino, M.; Martino, R.; Parry, R. M.; Wang, M. D.; Fernández, F. M.; and Gilard, V.\n\n\n \n\n\n\n Analytical Chemistry, 81(12): 4803–4812. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nyadong_combining_2009,\n\ttitle = {Combining {Two}-{Dimensional} {Diffusion}-{Ordered} {Nuclear} {Magnetic} {Resonance} {Spectroscopy}, {Imaging} {Desorption} {Electrospray} {Ionization} {Mass} {Spectrometry}, and {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry} for the {Integral} {Investigation} of {Counterfeit} {Pharmaceuticals}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tabstract = {During the past decade, there has been a marked increase in the number of reported cases involving counterfeit medicines in developing and developed countries. Particularly, artesunate-based antimalarial drugs have been targeted, because of their high demand and cost. Counterfeit antimalarials can cause death and can contribute to the growing problem of drug resistance, particularly in southeast Asia. In this study, the complementarity of two-dimensional diffusion-ordered 1H nuclear magnetic resonance spectroscopy (2D DOSY 1H NMR) with direct analysis in real-time mass spectrometry (DART MS) and desorption electrospray ionization mass spectrometry (DESI MS) was assessed for pharmaceutical forensic purposes. Fourteen different artesunate tablets, representative of what can be purchased from informal sources in southeast Asia, were investigated with these techniques. The expected active pharmaceutical ingredient was detected in only five formulations via both nuclear magnetic resonance (NMR) and mass spectrometry (MS) methods. Common organic excipients such as sucrose, lactose, stearate, dextrin, and starch were also detected. The graphical representation of DOSY 1H NMR results proved very useful for establishing similarities among groups of samples, enabling counterfeit drug “chemotyping”. In addition to bulk- and surface-average analyses, spatially resolved information on the surface composition of counterfeit and genuine antimalarial formulations was obtained using DESI MS that was performed in the imaging mode, which enabled one to visualize the homogeneity of both genuine and counterfeit drug samples. Overall, this study suggests that 2D DOSY 1H NMR, combined with ambient MS, comprises a powerful suite of instrumental analysis methodologies for the integral characterization of counterfeit antimalarials.},\n\tnumber = {12},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nyadong, Leonard and Harris, Glenn A. and Balayssac, Stephane and Galhena, Asiri S. and Malet-Martino, Myriam and Martino, Robert and Parry, R. Mitchell and Wang, May Dongmei and Fernández, Facundo M. and Gilard, Veronique},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {4803--4812},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n\n\n
\n During the past decade, there has been a marked increase in the number of reported cases involving counterfeit medicines in developing and developed countries. Particularly, artesunate-based antimalarial drugs have been targeted, because of their high demand and cost. Counterfeit antimalarials can cause death and can contribute to the growing problem of drug resistance, particularly in southeast Asia. In this study, the complementarity of two-dimensional diffusion-ordered 1H nuclear magnetic resonance spectroscopy (2D DOSY 1H NMR) with direct analysis in real-time mass spectrometry (DART MS) and desorption electrospray ionization mass spectrometry (DESI MS) was assessed for pharmaceutical forensic purposes. Fourteen different artesunate tablets, representative of what can be purchased from informal sources in southeast Asia, were investigated with these techniques. The expected active pharmaceutical ingredient was detected in only five formulations via both nuclear magnetic resonance (NMR) and mass spectrometry (MS) methods. Common organic excipients such as sucrose, lactose, stearate, dextrin, and starch were also detected. The graphical representation of DOSY 1H NMR results proved very useful for establishing similarities among groups of samples, enabling counterfeit drug “chemotyping”. In addition to bulk- and surface-average analyses, spatially resolved information on the surface composition of counterfeit and genuine antimalarial formulations was obtained using DESI MS that was performed in the imaging mode, which enabled one to visualize the homogeneity of both genuine and counterfeit drug samples. Overall, this study suggests that 2D DOSY 1H NMR, combined with ambient MS, comprises a powerful suite of instrumental analysis methodologies for the integral characterization of counterfeit antimalarials.\n
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\n \n\n \n \n \n \n \n NADP+-dependent farnesol dehydrogenase, a corpora allata enzyme involved in juvenile hormone synthesis.\n \n \n \n\n\n \n Mayoral, J. G.; Nouzova, M.; Navare, A.; and Noriega, F. G.\n\n\n \n\n\n\n Proceedings of the National Academy of Sciences, 106(50): 21091–21096. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{mayoral_nadp+-dependent_2009,\n\ttitle = {{NADP}+-dependent farnesol dehydrogenase, a corpora allata enzyme involved in juvenile hormone synthesis},\n\tvolume = {106},\n\tdoi = {10.1073/pnas.0909938106},\n\tabstract = {The synthesis of juvenile hormone (JH) is an attractive target for control of insect pests and vectors of disease, but the minute size of the corpora allata (CA), the glands that synthesize JH, has made it difficult to identify important biosynthetic enzymes by classical biochemical approaches. Here, we report identification and characterization of an insect farnesol dehydrogenase (SDR-1) that oxidizes farnesol into farnesal, a precursor of JH, in the CA. SDR-1 was isolated as an EST in a library of the corpora allata-corpora cardiaca of the mosquito . The 245-amino acid protein presents the typical short-chain dehydrogenase (SDR) Rossmann-fold motif for nucleotide binding. This feature, together with other conserved sequence motifs, place SDR-1 into the “classical” NADP-dependent cP2 SDR subfamily. The gene is part of a group of highly conserved paralogs that cluster together in the mosquito genome; similar clusters of orthologs were found in other insect species. SDR-1 acts as a homodimer and efficiently oxidizes C to C isoprenoid and aliphatic alcohols, showing the highest affinity for the conversion of farnesol into farnesal. Farnesol dehydrogenase activity was not detected in the CA of newly emerged mosquitoes but significant activity was detected 24 h later. Real time PCR experiments revealed that SDR-1 mRNA levels were very low in the inactive CA of the newly emerged female, but increased {\\textgreater}30-fold 24 h later during the peak of JH synthesis. These results suggest that oxidation of farnesol might be a rate-limiting step in JH III synthesis in adult mosquitoes.},\n\tnumber = {50},\n\tjournal = {Proceedings of the National Academy of Sciences},\n\tauthor = {Mayoral, Jaime G. and Nouzova, Marcela and Navare, Arti and Noriega, Fernando G.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {21091--21096},\n}\n\n\n\n
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\n The synthesis of juvenile hormone (JH) is an attractive target for control of insect pests and vectors of disease, but the minute size of the corpora allata (CA), the glands that synthesize JH, has made it difficult to identify important biosynthetic enzymes by classical biochemical approaches. Here, we report identification and characterization of an insect farnesol dehydrogenase (SDR-1) that oxidizes farnesol into farnesal, a precursor of JH, in the CA. SDR-1 was isolated as an EST in a library of the corpora allata-corpora cardiaca of the mosquito . The 245-amino acid protein presents the typical short-chain dehydrogenase (SDR) Rossmann-fold motif for nucleotide binding. This feature, together with other conserved sequence motifs, place SDR-1 into the “classical” NADP-dependent cP2 SDR subfamily. The gene is part of a group of highly conserved paralogs that cluster together in the mosquito genome; similar clusters of orthologs were found in other insect species. SDR-1 acts as a homodimer and efficiently oxidizes C to C isoprenoid and aliphatic alcohols, showing the highest affinity for the conversion of farnesol into farnesal. Farnesol dehydrogenase activity was not detected in the CA of newly emerged mosquitoes but significant activity was detected 24 h later. Real time PCR experiments revealed that SDR-1 mRNA levels were very low in the inactive CA of the newly emerged female, but increased \\textgreater30-fold 24 h later during the peak of JH synthesis. These results suggest that oxidation of farnesol might be a rate-limiting step in JH III synthesis in adult mosquitoes.\n
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\n \n\n \n \n \n \n \n Simple and Rapid Screening for Psychotropic Natural Products Using Direct Analysis in Real Time (DART)-TOFMS.\n \n \n \n\n\n \n Kawamura, M.; Kikura-Hanajiri, R.; and Goda, Y.\n\n\n \n\n\n\n Yakugaku Zasshi, 129: 719–725. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{kawamura_simple_2009,\n\ttitle = {Simple and {Rapid} {Screening} for {Psychotropic} {Natural} {Products} {Using} {Direct} {Analysis} in {Real} {Time} ({DART})-{TOFMS}},\n\tvolume = {129},\n\tdoi = {10.1248/yakushi.129.719},\n\tabstract = {Direct Analysis in Real Time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. To investigate the trend of non-controlled psychotropic plants of abuse in Japan, a rapid screening method, without sample preparation, was developed using DART-time of flight mass spectrometer (TOFMS) for plant products. The major psychotropic constituents of these products were determined using liquid chromatography-mass spectrometry (LC/MS). As a result of the DART-TOFMS analyses of 36 products, the protonated molecular ions [M+H]+, corresponding to 6 kinds of major hallucinogenic constituents (mescaline, salvinorin A, N,N-dimethyltryptamine, harmine, harmaline and lysergamide), were detected in 21 products. It was possible to estimate their accurate elemental compositions through exact mass measurements. These results were consistent with those of the LC/MS analyses and the contents of the 6 psychotropic constituents were in the range from 0.05 to 45 μg/mg. Typical controlled narcotic drugs, tetrahydrocannabinol, opioid alkaloids and psilocin were also directly detected in marijuana cigarette, opium gum and magic mushroom respectively. Although it is difficult to estimate the matrix effects caused by other plant ingredients, the DART-TOFMS could be useful as a simple and rapid screening method for the targeted psychotropic natural products, because it provides the molecular information of the target compounds without time-consuming extraction and pre-treatment steps.},\n\tjournal = {Yakugaku Zasshi},\n\tauthor = {Kawamura, M. and Kikura-Hanajiri, R. and Goda, Y.},\n\tyear = {2009},\n\tkeywords = {DART; AccuTOF, Direct Analysis in Real Time (DART); TOFMS; LC/MS; psychotropic plants},\n\tpages = {719--725},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. To investigate the trend of non-controlled psychotropic plants of abuse in Japan, a rapid screening method, without sample preparation, was developed using DART-time of flight mass spectrometer (TOFMS) for plant products. The major psychotropic constituents of these products were determined using liquid chromatography-mass spectrometry (LC/MS). As a result of the DART-TOFMS analyses of 36 products, the protonated molecular ions [M+H]+, corresponding to 6 kinds of major hallucinogenic constituents (mescaline, salvinorin A, N,N-dimethyltryptamine, harmine, harmaline and lysergamide), were detected in 21 products. It was possible to estimate their accurate elemental compositions through exact mass measurements. These results were consistent with those of the LC/MS analyses and the contents of the 6 psychotropic constituents were in the range from 0.05 to 45 μg/mg. Typical controlled narcotic drugs, tetrahydrocannabinol, opioid alkaloids and psilocin were also directly detected in marijuana cigarette, opium gum and magic mushroom respectively. Although it is difficult to estimate the matrix effects caused by other plant ingredients, the DART-TOFMS could be useful as a simple and rapid screening method for the targeted psychotropic natural products, because it provides the molecular information of the target compounds without time-consuming extraction and pre-treatment steps.\n
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\n \n\n \n \n \n \n \n Ambient Mass Spectrometric Detection of Organometallic Compounds Using Direct Analysis in Real Time.\n \n \n \n\n\n \n Borges, D.; Sturgeon, R.; Welz, B.; Curtius, A.; and Mester, Z.\n\n\n \n\n\n\n Analytical Chemistry, 81(23): 9834–9839. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{borges_ambient_2009,\n\ttitle = {Ambient {Mass} {Spectrometric} {Detection} of {Organometallic} {Compounds} {Using} {Direct} {Analysis} in {Real} {Time}},\n\tvolume = {81},\n\tdoi = {10.1021/ac901778n},\n\tabstract = {The present work describes the mass spectrometric detection of organometallic compounds following their atmospheric pressure ionization using a commercial direct analysis in real time (DART) ion source. Several organometallic compounds of As, Fe, Hg, Pb, Se, and Sn were examined, and their corresponding mass spectra as well as induced fragmentation patterns were recorded. Gas phase sampling of the pure organometallic compounds or their solutions prepared in toluene generated temporally stable signals. For the majority of the compounds, the molecular ion or protonated molecule was detected; noticeable exceptions are the tetra-substituted compounds for which their less-substituted species dominated. The organometallic species were used as model compounds for a systematic investigation of the impact of operating parameters of the DART source, including gas temperature and electrode voltages. In general, results have shown that powering the electrodes designed to remove ions from the DART gas stream results in a reduction in signal intensity for most of the compounds investigated, suggesting that charged species from the plasma play an important role in the ionization process of the test analytes.},\n\tnumber = {23},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Borges, D.L.G. and Sturgeon, R.E. and Welz, B. and Curtius, A.J. and Mester, Z.},\n\tyear = {2009},\n\tkeywords = {Thermo LTQ},\n\tpages = {9834--9839},\n}\n\n\n\n
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\n The present work describes the mass spectrometric detection of organometallic compounds following their atmospheric pressure ionization using a commercial direct analysis in real time (DART) ion source. Several organometallic compounds of As, Fe, Hg, Pb, Se, and Sn were examined, and their corresponding mass spectra as well as induced fragmentation patterns were recorded. Gas phase sampling of the pure organometallic compounds or their solutions prepared in toluene generated temporally stable signals. For the majority of the compounds, the molecular ion or protonated molecule was detected; noticeable exceptions are the tetra-substituted compounds for which their less-substituted species dominated. The organometallic species were used as model compounds for a systematic investigation of the impact of operating parameters of the DART source, including gas temperature and electrode voltages. In general, results have shown that powering the electrodes designed to remove ions from the DART gas stream results in a reduction in signal intensity for most of the compounds investigated, suggesting that charged species from the plasma play an important role in the ionization process of the test analytes.\n
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\n \n\n \n \n \n \n \n The Observation of Molecular Ions and Analysis of Nonpolar Compounds with the Direct Analysis in Real Time Ion Source.\n \n \n \n\n\n \n Cody, R. B.\n\n\n \n\n\n\n Analytical Chemistry, 81(3): 1101–1107. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cody_observation_2009,\n\ttitle = {The {Observation} of {Molecular} {Ions} and {Analysis} of {Nonpolar} {Compounds} with the {Direct} {Analysis} in {Real} {Time} {Ion} {Source}},\n\tvolume = {81},\n\tdoi = {10.1021/ac8022108},\n\tabstract = {Positive ions in the direct analysis in real time (DART) ion source are commonly formed by proton transfer. However, the DART source is similar to atmospheric pressure photoionization (APPI) in that it can produce molecular ions as well as protonated molecules, although the two sources differ in the initial ion formation process. This report discusses some of the factors that influence molecular ion formation in DART and shows how the DART source can be used to analyze “difficult” or nonpolar compounds such as alkanes and cholesterol. Trace reagent ions including NO+ and O2+· formed from atmospheric gases are shown to play important roles in DART ionization. The use of the DART source as a gas chromatography/mass spectrometry (GC/MS) interface is demonstrated to show the difference between mass spectra obtained using conditions that favor proton transfer and those that favor molecular ion formation.},\n\tnumber = {3},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Cody, R. B.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1101--1107},\n}\n\n\n\n
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\n Positive ions in the direct analysis in real time (DART) ion source are commonly formed by proton transfer. However, the DART source is similar to atmospheric pressure photoionization (APPI) in that it can produce molecular ions as well as protonated molecules, although the two sources differ in the initial ion formation process. This report discusses some of the factors that influence molecular ion formation in DART and shows how the DART source can be used to analyze “difficult” or nonpolar compounds such as alkanes and cholesterol. Trace reagent ions including NO+ and O2+· formed from atmospheric gases are shown to play important roles in DART ionization. The use of the DART source as a gas chromatography/mass spectrometry (GC/MS) interface is demonstrated to show the difference between mass spectra obtained using conditions that favor proton transfer and those that favor molecular ion formation.\n
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\n \n\n \n \n \n \n \n Identification of a cannabimimetic indole as a designer drug in a herbal product.\n \n \n \n\n\n \n Uchiyama, N.; Kikura-Hanajiri, R.; Kawahara, N.; and Goda, Y.\n\n\n \n\n\n\n Forensic Toxicology, 27(2): 61–66. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{uchiyama_identification_2009,\n\ttitle = {Identification of a cannabimimetic indole as a designer drug in a herbal product},\n\tvolume = {27},\n\tnumber = {2},\n\tjournal = {Forensic Toxicology},\n\tauthor = {Uchiyama, N. and Kikura-Hanajiri, R. and Kawahara, N. and Goda, Y.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {61--66},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Assessing direct analysis in real-time-mass spectrometry (DART-MS) for the rapid identification of additives in food packaging.\n \n \n \n \n\n\n \n Ackerman, L.; Noonan, G.; and Begley, T.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 26(12): 1611–1618. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AssessingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{ackerman_assessing_2009,\n\ttitle = {Assessing direct analysis in real-time-mass spectrometry ({DART}-{MS}) for the rapid identification of additives in food packaging},\n\tvolume = {26},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/02652030903232753},\n\tdoi = {10.1080/02652030903232753},\n\tabstract = {The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.\nThe ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.},\n\tnumber = {12},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Ackerman, L.K. and Noonan, G.O. and Begley, T.H.},\n\tyear = {2009},\n\tkeywords = {in-house validation; screening assays; food-contact materials; packaging additives; paper; plastics; Waters Triple Quad},\n\tpages = {1611--1618},\n}\n\n\n\n
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\n The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement. The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.\n
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\n \n\n \n \n \n \n \n Simulations and Experimental Investigation of Atmospheric Transport in an Ambient Metastable-Induced Chemical Ionization Source.\n \n \n \n\n\n \n Harris, G. A.; and Fernandez, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 81(1): 322–329. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{harris_simulations_2009,\n\ttitle = {Simulations and {Experimental} {Investigation} of {Atmospheric} {Transport} in an {Ambient} {Metastable}-{Induced} {Chemical} {Ionization} {Source}},\n\tvolume = {81},\n\tdoi = {10.1021/ac802117u},\n\tabstract = {Since its inception, Direct Analysis in Real Time (DART) has seen utility in a wide range of applications including chemical reaction monitoring, pharmaceutical screening, and forensic mass spectrometry. Despite the growing interest in DART applications, there has been limited research into the fundamental physiochemical phenomena affecting sampling, ionization, and atmospheric ion transport. Presented here are the first experimentally validated finite element method simulations of an ambient DART-type metastable-induced chemical ionization source. It was found that complex coupled fluid dynamics, heat transfer, and electrostatic phenomena within the sampling region determine the variability in ion transmission efficiencies affecting the overall sensitivity of analysis. Particle tracing plots of a circular acetaminophen tablet placed in various positions and orientations yielded insight into optimal sample placement and evidence for sweet spots conducive to better ion transport. Experiments in a wide range of electric field conditions were performed, finding that under optimum sample placement, sensitivity could be improved by as much as 128\\% if ion mobility contributions were minimized.},\n\tnumber = {1},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Harris, Glenn A. and Fernandez, Facundo M.},\n\tyear = {2009},\n\tkeywords = {simulation},\n\tpages = {322--329},\n}\n\n\n\n
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\n Since its inception, Direct Analysis in Real Time (DART) has seen utility in a wide range of applications including chemical reaction monitoring, pharmaceutical screening, and forensic mass spectrometry. Despite the growing interest in DART applications, there has been limited research into the fundamental physiochemical phenomena affecting sampling, ionization, and atmospheric ion transport. Presented here are the first experimentally validated finite element method simulations of an ambient DART-type metastable-induced chemical ionization source. It was found that complex coupled fluid dynamics, heat transfer, and electrostatic phenomena within the sampling region determine the variability in ion transmission efficiencies affecting the overall sensitivity of analysis. Particle tracing plots of a circular acetaminophen tablet placed in various positions and orientations yielded insight into optimal sample placement and evidence for sweet spots conducive to better ion transport. Experiments in a wide range of electric field conditions were performed, finding that under optimum sample placement, sensitivity could be improved by as much as 128% if ion mobility contributions were minimized.\n
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\n \n\n \n \n \n \n \n Desorption Electrospray/Metastable-Induced Ionization: A Flexible Multimode Ambient Ion Generation Technique.\n \n \n \n\n\n \n Nyadong, L.; Galhena, A. S.; and Fernandez, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 81(18): 7788–7794. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{nyadong_desorption_2009,\n\ttitle = {Desorption {Electrospray}/{Metastable}-{Induced} {Ionization}: {A} {Flexible} {Multimode} {Ambient} {Ion} {Generation} {Technique}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tdoi = {10.1021/ac9014098},\n\tabstract = {Presented here is a novel multimode ambient ion source termed desorption electrospray/metastable-induced ionization (DEMI), which integrates the benefits and circumvents some of the limitations of desorption electrospray ionization (DESI, polarity range limited) and direct analysis in real time (DART)-type metastable-induced chemical ionization (MICI, molecular weight limited). This ion source allows three unique operation modes, each with unique capabilities, including spray (DESI-like)-only, MICI-only, and DEMI (multimode), and can be thus operated in each of these modes allowing the detection of a wider range of analytes of interest. Ion source operation in the MICI-only mode is particularly well suited for the analysis of low-polarity, low-molecular weight compounds in powdered, solid, or dissolved samples. Operation of the ion source in spray-only mode shows superior performance for the analysis of high-molecular weight, high-polarity compounds over the MICI-only mode. Heating the nebulizer gas in spray-only mode allows improved analyte solubility in the spray solvent, enabling up to an order of magnitude improvement in sensitivity. Perhaps the most appealing mode of operation of the ion source is the DEMI mode which allows the simultaneous detection of compounds within a much broader range of polarities and molecular weights than each of the individual modes. For drug quality screening and counterfeit detection applications, operation in the DEMI mode results in the generation of both protonated and sodiated analytes. The observation of such complementary ionic species facilitates compound identification when investigating unknowns.},\n\tnumber = {18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nyadong, Leonard and Galhena, Asiri S. and Fernandez, Facundo M.},\n\tyear = {2009},\n\tkeywords = {Thermo LCQ},\n\tpages = {7788--7794},\n}\n\n\n\n
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\n Presented here is a novel multimode ambient ion source termed desorption electrospray/metastable-induced ionization (DEMI), which integrates the benefits and circumvents some of the limitations of desorption electrospray ionization (DESI, polarity range limited) and direct analysis in real time (DART)-type metastable-induced chemical ionization (MICI, molecular weight limited). This ion source allows three unique operation modes, each with unique capabilities, including spray (DESI-like)-only, MICI-only, and DEMI (multimode), and can be thus operated in each of these modes allowing the detection of a wider range of analytes of interest. Ion source operation in the MICI-only mode is particularly well suited for the analysis of low-polarity, low-molecular weight compounds in powdered, solid, or dissolved samples. Operation of the ion source in spray-only mode shows superior performance for the analysis of high-molecular weight, high-polarity compounds over the MICI-only mode. Heating the nebulizer gas in spray-only mode allows improved analyte solubility in the spray solvent, enabling up to an order of magnitude improvement in sensitivity. Perhaps the most appealing mode of operation of the ion source is the DEMI mode which allows the simultaneous detection of compounds within a much broader range of polarities and molecular weights than each of the individual modes. For drug quality screening and counterfeit detection applications, operation in the DEMI mode results in the generation of both protonated and sodiated analytes. The observation of such complementary ionic species facilitates compound identification when investigating unknowns.\n
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\n \n\n \n \n \n \n \n Ionization Mechanism of Negative Ion-Direct Analysis in Real Time: A Comparative Study with Negative Ion-Atmospheric Pressure Photoionization.\n \n \n \n\n\n \n Song, L.; Dykstra, A. B.; Yao, H.; and Bartmess, J. E.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(1): 42–50. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{song_ionization_2009,\n\ttitle = {Ionization {Mechanism} of {Negative} {Ion}-{Direct} {Analysis} in {Real} {Time}: {A} {Comparative} {Study} with {Negative} {Ion}-{Atmospheric} {Pressure} {Photoionization}},\n\tvolume = {20},\n\tabstract = {The ionization mechanism of negative ion-direct analysis in real time (NI-DART) has been investigated using over 42 compounds, including fullerenes, perfluorocarbons (PFC), organic explosives, phenols, pentafluorobenzyl (PFB) derivatized phenols, anilines, and carboxylic\nacids, which were previously studied by negative ion-atmospheric pressure photoionization (NI-APPI). NI-DART generated ionization products similar to NI-APPI, which led to four ionization mechanisms, including electron capture (EC), dissociative EC, proton transfer, and\nanion attachment. These four ionization mechanisms make both NI-DART and NI-APPI capable of ionizing a wider range of compounds than negative ion-atmospheric pressure chemical ionization (APCI) or negative ion-electrospray ionization (ESI). As the operation of NI-DART is much easier than that of NI-APPI and the gas-phase ion chemistry of NI-DART is more easily manipulated than that of NI-APPI, NI-DART can be therefore used to study in detail the ionization mechanism of LC/NI-APPI-MS, which would be a powerful methodology for the quantification of low-polarity compounds. Herein, one such application has been further demonstrated in the detection and identification of background ions from LC solvents and APPI dopants, including water, acetonitrile, chloroform, methylene chloride, methanol, 2-propanol, hexanes, heptane, cyclohexane, acetone, tetrahydrofuran (THF), 1,4-dioxane, toluene, and anisole. Possible reaction pathways leading to the formation of these background\nions were further inferred. One of the conclusions from these experiments is that THF and 1,4-dioxane are inappropriate to be used as solvents and/or dopants for LC/NI-APPI-MS due to their high reactivity with source basic ions, leading to many reactant ions in the background.},\n\tnumber = {1},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Song, Liguo and Dykstra, Andrew B. and Yao, Huifang and Bartmess, John E.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {42--50},\n}\n\n\n\n
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\n The ionization mechanism of negative ion-direct analysis in real time (NI-DART) has been investigated using over 42 compounds, including fullerenes, perfluorocarbons (PFC), organic explosives, phenols, pentafluorobenzyl (PFB) derivatized phenols, anilines, and carboxylic acids, which were previously studied by negative ion-atmospheric pressure photoionization (NI-APPI). NI-DART generated ionization products similar to NI-APPI, which led to four ionization mechanisms, including electron capture (EC), dissociative EC, proton transfer, and anion attachment. These four ionization mechanisms make both NI-DART and NI-APPI capable of ionizing a wider range of compounds than negative ion-atmospheric pressure chemical ionization (APCI) or negative ion-electrospray ionization (ESI). As the operation of NI-DART is much easier than that of NI-APPI and the gas-phase ion chemistry of NI-DART is more easily manipulated than that of NI-APPI, NI-DART can be therefore used to study in detail the ionization mechanism of LC/NI-APPI-MS, which would be a powerful methodology for the quantification of low-polarity compounds. Herein, one such application has been further demonstrated in the detection and identification of background ions from LC solvents and APPI dopants, including water, acetonitrile, chloroform, methylene chloride, methanol, 2-propanol, hexanes, heptane, cyclohexane, acetone, tetrahydrofuran (THF), 1,4-dioxane, toluene, and anisole. Possible reaction pathways leading to the formation of these background ions were further inferred. One of the conclusions from these experiments is that THF and 1,4-dioxane are inappropriate to be used as solvents and/or dopants for LC/NI-APPI-MS due to their high reactivity with source basic ions, leading to many reactant ions in the background.\n
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\n \n\n \n \n \n \n \n Direct analysis of curcumin in turmeric by DART-MS.\n \n \n \n\n\n \n Kim, H. J.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,published online. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kim_direct_2009,\n\ttitle = {Direct analysis of curcumin in turmeric by {DART}-{MS}},\n\tissn = {1099-1565},\n\tabstract = {Introduction\nThe new ion source technique, direct analysis in real time (DART) atmospheric pressure ionisation, allows high resolution mass measurements of gas, liquid and solid samples. As DART-MS produces [M + H]+ molecular ions of most compounds, relatively simple and clear mass spectra are obtained even of multi-component samples. In order to take advantage of the capacity of DART-MS for the real time analysis of individual compounds in natural raw materials, a pilot study was performed using the well-known antioxidant botanical drug, turmeric.\n\nObjective\nTo establish the analysis methods of curcumin and its derivatives from various types of samples with DART-MS and compare the efficiency of the method with traditional HPLC method.\n\nResults\nDifferent curcuminoids were successfully detected directly from the raw particles of Curcuma longa. When a turmeric extract was separated on a TLC plate, each band produced molecular ion peaks corresponding to curcumin, demethoxycurcumin and bisdemethoxycurcumin. Molecular ions of curcuminoids in turmeric-containing beverages and curry powder were also efficiently detected. In addition to high efficiency of qualitative analysis, the evaluation of its linearity showed that DART-MS can be applied for semi-quantitative determinations of curcumin over a large range (5-100 µg/mL).\n\nConclusion\nA simple chemical profiling and semi-quantitative method for natural products using DART-MS might be applied to diverse field related quality control of medicinal plants or food ingredients.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Jang, Young Pyo},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {published online},\n}\n\n\n\n
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\n Introduction The new ion source technique, direct analysis in real time (DART) atmospheric pressure ionisation, allows high resolution mass measurements of gas, liquid and solid samples. As DART-MS produces [M + H]+ molecular ions of most compounds, relatively simple and clear mass spectra are obtained even of multi-component samples. In order to take advantage of the capacity of DART-MS for the real time analysis of individual compounds in natural raw materials, a pilot study was performed using the well-known antioxidant botanical drug, turmeric. Objective To establish the analysis methods of curcumin and its derivatives from various types of samples with DART-MS and compare the efficiency of the method with traditional HPLC method. Results Different curcuminoids were successfully detected directly from the raw particles of Curcuma longa. When a turmeric extract was separated on a TLC plate, each band produced molecular ion peaks corresponding to curcumin, demethoxycurcumin and bisdemethoxycurcumin. Molecular ions of curcuminoids in turmeric-containing beverages and curry powder were also efficiently detected. In addition to high efficiency of qualitative analysis, the evaluation of its linearity showed that DART-MS can be applied for semi-quantitative determinations of curcumin over a large range (5-100 µg/mL). Conclusion A simple chemical profiling and semi-quantitative method for natural products using DART-MS might be applied to diverse field related quality control of medicinal plants or food ingredients.\n
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\n \n\n \n \n \n \n \n Rapid Semi-Quantitative Surface Mapping of Airborne-Dispersed Chemicals Using Mass Spectrometry.\n \n \n \n\n\n \n Grange, A.\n\n\n \n\n\n\n Environmental Forensics, 10(3): 183–195. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_rapid_2009,\n\ttitle = {Rapid {Semi}-{Quantitative} {Surface} {Mapping} of {Airborne}-{Dispersed} {Chemicals} {Using} {Mass} {Spectrometry}},\n\tvolume = {10},\n\tabstract = {Chemicals can be dispersed accidentally, deliberately, or by weather-related events. Rapid mapping of contaminant distributions is necessary to assess exposure risks and to plan remediation, when needed. Ten pulverized aspirin or NoDozTM tablets containing caffeine were dispersed across a concrete driveway using the exhaust port of a shop vacuum cleaner. Water-soaked, cotton swabs were used to collect wipe samples from 100 cm2 areas within a 7 x 12 grid pattern to map the caffeine distribution. An autosampler/Direct Analysis in Real Time (DARTTM)/time-of-flight mass spectrometer was used to acquire ion chromatograms for the [M+H]+ semi-quantitation ion (m/z 195). Prior to analysis, unheated, non-energized helium gas was blown across the swabs to remove debris that could plug the cone orifice. Carry over was mitigated by interspersing wipe sample swabs with water-soaked swabs to provide hot water vapor to clean the region around the cone orifice into the mass spectrometer between sample swabs. Carry over was further reduced relative to the ion abundances from analyte peaks by acquiring data a second time. Remaining carry over was seen as ion abundance plateaus in ion chromatograms before and after each analyte peak. The higher plateau was treated as the baseline for each analyte peak by a macro procedure written in Lotus 123TM. A second macro procedure plotted multi-color, semi-quantitation maps for high, moderate, low, and non-detect levels of caffeine.},\n\tnumber = {3},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, A.H.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {183--195},\n}\n\n\n\n
\n
\n\n\n
\n Chemicals can be dispersed accidentally, deliberately, or by weather-related events. Rapid mapping of contaminant distributions is necessary to assess exposure risks and to plan remediation, when needed. Ten pulverized aspirin or NoDozTM tablets containing caffeine were dispersed across a concrete driveway using the exhaust port of a shop vacuum cleaner. Water-soaked, cotton swabs were used to collect wipe samples from 100 cm2 areas within a 7 x 12 grid pattern to map the caffeine distribution. An autosampler/Direct Analysis in Real Time (DARTTM)/time-of-flight mass spectrometer was used to acquire ion chromatograms for the [M+H]+ semi-quantitation ion (m/z 195). Prior to analysis, unheated, non-energized helium gas was blown across the swabs to remove debris that could plug the cone orifice. Carry over was mitigated by interspersing wipe sample swabs with water-soaked swabs to provide hot water vapor to clean the region around the cone orifice into the mass spectrometer between sample swabs. Carry over was further reduced relative to the ion abundances from analyte peaks by acquiring data a second time. Remaining carry over was seen as ion abundance plateaus in ion chromatograms before and after each analyte peak. The higher plateau was treated as the baseline for each analyte peak by a macro procedure written in Lotus 123TM. A second macro procedure plotted multi-color, semi-quantitation maps for high, moderate, low, and non-detect levels of caffeine.\n
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\n \n\n \n \n \n \n \n Temperature-dependent release of volatile organic compounds of eucalypts by direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Maleknia, S. D.; Vail, T. M.; Cody, R. B.; Sparkman, D. O.; Bell, T. L.; and Adams, M. A.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 23(15): 2241–2246. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{maleknia_temperature-dependent_2009,\n\ttitle = {Temperature-dependent release of volatile organic compounds of eucalypts by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {23},\n\tissn = {1097-0231},\n\tabstract = {A method is described for the rapid identification of biogenic, volatile organic compounds (VOCs) emitted by plants, including the analysis of the temperature dependence of those emissions. Direct analysis in real time (DART) enabled ionization of VOCs from stem and leaf of several eucalyptus species including E. cinerea, E. citriodora, E. nicholii and E. sideroxylon. Plant tissues were placed directly in the gap between the DART ionization source skimmer and the capillary inlet of the time-of-flight (TOF) mass spectrometer. Temperature-dependent emission of VOCs was achieved by adjusting the temperature of the helium gas into the DART ionization source at 50, 100, 200 and 300°C, which enabled direct evaporation of compounds, up to the onset of pyrolysis of plant fibres (i.e. cellulose and lignin). Accurate mass measurements facilitated by TOF mass spectrometry provided elemental compositions for the VOCs. A wide range of compounds was detected from simple organic compounds (i.e. methanol and acetone) to a series of monoterpenes (i.e. pinene, camphene, cymene, eucalyptol) common to many plant species, as well as several less abundant sesquiterpenes and flavonoids (i.e. naringenin, spathulenol, eucalyptin) with antioxidant and antimicrobial properties. The leaf and stem tissues for all four eucalypt species showed similar compounds. The relative abundances of methanol and ethanol were greater in stem wood than in leaf tissue suggesting that DART could be used to investigate the tissue-specific transport and emissions of VOCs.},\n\tnumber = {15},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Maleknia, Simin D. and Vail, Teresa M. and Cody, Robert B. and Sparkman, David O. and Bell, Tina L. and Adams, Mark A.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {2241--2246},\n}\n\n\n\n
\n
\n\n\n
\n A method is described for the rapid identification of biogenic, volatile organic compounds (VOCs) emitted by plants, including the analysis of the temperature dependence of those emissions. Direct analysis in real time (DART) enabled ionization of VOCs from stem and leaf of several eucalyptus species including E. cinerea, E. citriodora, E. nicholii and E. sideroxylon. Plant tissues were placed directly in the gap between the DART ionization source skimmer and the capillary inlet of the time-of-flight (TOF) mass spectrometer. Temperature-dependent emission of VOCs was achieved by adjusting the temperature of the helium gas into the DART ionization source at 50, 100, 200 and 300°C, which enabled direct evaporation of compounds, up to the onset of pyrolysis of plant fibres (i.e. cellulose and lignin). Accurate mass measurements facilitated by TOF mass spectrometry provided elemental compositions for the VOCs. A wide range of compounds was detected from simple organic compounds (i.e. methanol and acetone) to a series of monoterpenes (i.e. pinene, camphene, cymene, eucalyptol) common to many plant species, as well as several less abundant sesquiterpenes and flavonoids (i.e. naringenin, spathulenol, eucalyptin) with antioxidant and antimicrobial properties. The leaf and stem tissues for all four eucalypt species showed similar compounds. The relative abundances of methanol and ethanol were greater in stem wood than in leaf tissue suggesting that DART could be used to investigate the tissue-specific transport and emissions of VOCs.\n
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\n \n\n \n \n \n \n \n \n Validation of the Direct Analysis in Real Time Source for Use in Forensic Drug Screening.\n \n \n \n \n\n\n \n Steiner, R. R.; and Larson, R. L.\n\n\n \n\n\n\n Journal of Forensic Sciences, 54(3): 617–622. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{steiner_validation_2009,\n\ttitle = {Validation of the {Direct} {Analysis} in {Real} {Time} {Source} for {Use} in {Forensic} {Drug} {Screening}},\n\tvolume = {54},\n\tissn = {00221198, 15564029},\n\turl = {http://doi.wiley.com/10.1111/j.1556-4029.2009.01006.x},\n\tdoi = {10.1111/j.1556-4029.2009.01006.x},\n\tabstract = {The Direct Analysis in Real Time (DART) ion source is a relatively new mass spectrometry technique that is seeing widespread use in chemical analyses world-wide. DART studies include such diverse topics as analysis of flavors and fragrances, melamine in contaminated dog food, differentiation of writing inks, characterization of solid counterfeit drugs, and as a detector for planar chromatography. Validation of this new technique for the rapid screening of forensic evidence for drugs of abuse, utilizing the DART source coupled to an accurate mass time-of-flight mass spectrometer, was conducted. The study consisted of the determination of the lower limit of detection for the method, determination of selectivity and a comparison of this technique to established analytical protocols. Examples of DART spectra are included. The results of this study have allowed the Virginia Department of Forensic Science to incorporate this new technique into their analysis scheme for the screening of solid dosage forms of drugs of abuse.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Steiner, Robert R. and Larson, Robyn L.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {617--622},\n}\n\n\n\n
\n
\n\n\n
\n The Direct Analysis in Real Time (DART) ion source is a relatively new mass spectrometry technique that is seeing widespread use in chemical analyses world-wide. DART studies include such diverse topics as analysis of flavors and fragrances, melamine in contaminated dog food, differentiation of writing inks, characterization of solid counterfeit drugs, and as a detector for planar chromatography. Validation of this new technique for the rapid screening of forensic evidence for drugs of abuse, utilizing the DART source coupled to an accurate mass time-of-flight mass spectrometer, was conducted. The study consisted of the determination of the lower limit of detection for the method, determination of selectivity and a comparison of this technique to established analytical protocols. Examples of DART spectra are included. The results of this study have allowed the Virginia Department of Forensic Science to incorporate this new technique into their analysis scheme for the screening of solid dosage forms of drugs of abuse.\n
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\n \n\n \n \n \n \n \n Ambient mass spectrometry employing direct analysis in real time (DART) ion source for olive oil quality and authenticity assessment.\n \n \n \n\n\n \n Vaclavik, L.; Cajka, T.; Hrbek, V.; and Hajslova, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 645(1-2): 56–63. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_ambient_2009,\n\ttitle = {Ambient mass spectrometry employing direct analysis in real time ({DART}) ion source for olive oil quality and authenticity assessment},\n\tvolume = {645},\n\tdoi = {10.1016/j.aca.2009.04.043},\n\tabstract = {A novel approach for the authentication of olive oil samples representing different quality grades has been developed. A new type of ion source, direct analysis in real time (DART), coupled to a high-resolution time-of-flight mass spectrometer (TOFMS) was employed for the comprehensive profiling of triacylglycerols (TAGs) and/or polar compounds extracted with a methanol–water mixture. The main parameters influencing the ionization efficiency of TAGs were the type of sample solvent, degree of sample dilution, ion beam temperature, and presence of a dopant (ammonia vapors). The ionization yield of polar compounds depended mainly on a content of water in the extract and ion beam temperature. Using DART–TOFMS, not only differentiation among extra virgin olive oil (EVOO), olive pomace oil (OPO) and olive oil (OO) could be easily achieved, but also EVOO adulteration with commonly used adulterant, hazelnut oil (HO), was feasible. Based on the linear discriminant analysis (LDA), the introduced method allowed detection of HO addition of 6 and 15\\% (v/v) when assessing DART–TOFMS mass profiles of polar compounds and TAGs, respectively.},\n\tnumber = {1-2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Vaclavik, Lukas and Cajka, Tomas and Hrbek, Vojtech and Hajslova, J.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {56--63},\n}\n\n\n\n
\n
\n\n\n
\n A novel approach for the authentication of olive oil samples representing different quality grades has been developed. A new type of ion source, direct analysis in real time (DART), coupled to a high-resolution time-of-flight mass spectrometer (TOFMS) was employed for the comprehensive profiling of triacylglycerols (TAGs) and/or polar compounds extracted with a methanol–water mixture. The main parameters influencing the ionization efficiency of TAGs were the type of sample solvent, degree of sample dilution, ion beam temperature, and presence of a dopant (ammonia vapors). The ionization yield of polar compounds depended mainly on a content of water in the extract and ion beam temperature. Using DART–TOFMS, not only differentiation among extra virgin olive oil (EVOO), olive pomace oil (OPO) and olive oil (OO) could be easily achieved, but also EVOO adulteration with commonly used adulterant, hazelnut oil (HO), was feasible. Based on the linear discriminant analysis (LDA), the introduced method allowed detection of HO addition of 6 and 15% (v/v) when assessing DART–TOFMS mass profiles of polar compounds and TAGs, respectively.\n
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\n \n\n \n \n \n \n \n \n Bioanalysis without Sample Cleanup or Chromatography: The Evaluation and Initial Implementation of Direct Analysis in Real Time Ionization Mass Spectrometry for the Quantification of Drugs in Biological Matrixes.\n \n \n \n \n\n\n \n Yu, S.; Crawford, E.; Tice, J.; Musselman, B.; and Wu, J.\n\n\n \n\n\n\n Analytical Chemistry, 81(1): 193–202. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"BioanalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{yu_bioanalysis_2009,\n\ttitle = {Bioanalysis without {Sample} {Cleanup} or {Chromatography}: {The} {Evaluation} and {Initial} {Implementation} of {Direct} {Analysis} in {Real} {Time} {Ionization} {Mass} {Spectrometry} for the {Quantification} of {Drugs} in {Biological} {Matrixes}},\n\tvolume = {81},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Bioanalysis without {Sample} {Cleanup} or {Chromatography}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac801734t},\n\tdoi = {10.1021/ac801734t},\n\tabstract = {Two key bottlenecks in pharmaceutical bioanalysis are sample cleanup and chromatographic separations. Although multiple approaches have been developed in the past decade to either shorten or multiplex these steps, they remain the rate limiting steps as ADME (Absorption, Distribution, Metabolism, and Excretion) property screening is being routinely incorporated into the drug discovery process. In this work, a novel system incorporating an automated Direct Analysis in Real Time (DART) ionization source coupled with a triple-quadrupole mass spectrometer has been developed and evaluated for quantitative bioanalysis. This system has the capability of directly analyzing samples from their biological matrixes and therefore potentially eliminating the need for sample cleanup and chromatographic separations. A LEAP Technologies autosampler was customized to perform the automated sample introduction into the DART beam with high precision, which significantly improved the reproducibility of the method. Additional pumping was applied to the atmospheric pressure inlet on the mass spectrometer to compensate for the increased vacuum load because of the use of high-flow helium by the DART. This resulted in an improvement of detection sensitivity by a factor of 10 to 100 times. Matrix effects for a diversified class of compounds were evaluated directly from untreated raw plasma and were found to range from approximately 0.05 to 0.7. Precision and accuracy were also tested for multiple test compounds over a dynamic range of four orders of magnitude. The system has been used to analyze biological samples from both in vivo pharmacokinetic studies and in vitro microsomal/S9 stability studies, and the results generated were similar to those obtained with conventional LC/MS/MS methods. Overall, this new automated DART-triple quadrupole mass spectrometer system has demonstrated significant potential for high-throughput bioanalysis.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Yu, Shaoxia and Crawford, Elizabeth and Tice, Joe and Musselman, Brian and Wu, Jing-Tao},\n\tyear = {2009},\n\tkeywords = {Applied Biosystems Triple Quad},\n\tpages = {193--202},\n}\n\n\n\n
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\n\n\n
\n Two key bottlenecks in pharmaceutical bioanalysis are sample cleanup and chromatographic separations. Although multiple approaches have been developed in the past decade to either shorten or multiplex these steps, they remain the rate limiting steps as ADME (Absorption, Distribution, Metabolism, and Excretion) property screening is being routinely incorporated into the drug discovery process. In this work, a novel system incorporating an automated Direct Analysis in Real Time (DART) ionization source coupled with a triple-quadrupole mass spectrometer has been developed and evaluated for quantitative bioanalysis. This system has the capability of directly analyzing samples from their biological matrixes and therefore potentially eliminating the need for sample cleanup and chromatographic separations. A LEAP Technologies autosampler was customized to perform the automated sample introduction into the DART beam with high precision, which significantly improved the reproducibility of the method. Additional pumping was applied to the atmospheric pressure inlet on the mass spectrometer to compensate for the increased vacuum load because of the use of high-flow helium by the DART. This resulted in an improvement of detection sensitivity by a factor of 10 to 100 times. Matrix effects for a diversified class of compounds were evaluated directly from untreated raw plasma and were found to range from approximately 0.05 to 0.7. Precision and accuracy were also tested for multiple test compounds over a dynamic range of four orders of magnitude. The system has been used to analyze biological samples from both in vivo pharmacokinetic studies and in vitro microsomal/S9 stability studies, and the results generated were similar to those obtained with conventional LC/MS/MS methods. Overall, this new automated DART-triple quadrupole mass spectrometer system has demonstrated significant potential for high-throughput bioanalysis.\n
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\n \n\n \n \n \n \n \n Determination of the Presence or Absence of Sulfur Materials in Drywall Using Direct Analysis in Real Time in Conjunction with an Accurate-Mass Time-of-Flight Mass Spectrometer.\n \n \n \n\n\n \n Curtis, M. E.; Jones, P. R.; Sparkman, O. D.; and Cody, R. B.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(11): 2082–2086. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{curtis_determination_2009,\n\ttitle = {Determination of the {Presence} or {Absence} of {Sulfur} {Materials} in {Drywall} {Using} {Direct} {Analysis} in {Real} {Time} in {Conjunction} with an {Accurate}-{Mass} {Time}-of-{Flight} {Mass} {Spectrometer}},\n\tvolume = {20},\n\tissn = {1044-0305},\n\tabstract = {Based on the concern about the presence of sulfur materials being in drywall (wallboard), a quick and reliable test to confirm the presence or absence of these materials using direct analysis in real time (DART) mass spectrometry in conjunction with an accurate-mass time-of-flight (TOF) mass spectrometer has been developed and is described here.},\n\tnumber = {11},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Curtis, Matthew E. and Jones, Patrick R. and Sparkman, O. David and Cody, Robert B.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {2082--2086},\n}\n\n\n\n
\n
\n\n\n
\n Based on the concern about the presence of sulfur materials being in drywall (wallboard), a quick and reliable test to confirm the presence or absence of these materials using direct analysis in real time (DART) mass spectrometry in conjunction with an accurate-mass time-of-flight (TOF) mass spectrometer has been developed and is described here.\n
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\n \n\n \n \n \n \n \n Elderberry flavonoids bind to and prevent H1N1 infection in vitro.\n \n \n \n\n\n \n Roschek Jr., B.; Fink, R. C.; McMichael, M. D.; Li, D.; and Alberte, R. S.\n\n\n \n\n\n\n Phytochemistry, 70(10): 1255–1262. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{roschek_jr._elderberry_2009,\n\ttitle = {Elderberry flavonoids bind to and prevent {H1N1} infection in vitro},\n\tvolume = {70},\n\tdoi = {10.1016/j.phytochem.2009.06.003},\n\tabstract = {A ionization technique in mass spectrometry called Direct Analysis in Real Time Mass Spectrometry (DART TOF-MS) coupled with a Direct Binding Assay was used to identify and characterize anti-viral components of an elderberry fruit (Sambucus nigra L.) extract without either derivatization or separation by standard chromatographic techniques. The elderberry extract inhibited Human Influenza A (H1N1) infection in vitro with an IC50 value of 252 ± 34 μg/mL. The Direct Binding Assay established that flavonoids from the elderberry extract bind to H1N1 virions and, when bound, block the ability of the viruses to infect host cells. Two compounds were identified, 5,7,3′,4′-tetra-O-methylquercetin (1) and 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chroman-3-yl-3,4,5-trihydroxycyclohexanecarboxylate (2), as H1N1-bound chemical species. Compound 1 and dihydromyricetin (3), the corresponding 3-hydroxyflavonone of 2, were synthesized and shown to inhibit H1N1 infection in vitro by binding to H1N1 virions, blocking host cell entry and/or recognition. Compound 1 gave an IC50 of 0.13 μg/mL (0.36 μM) for H1N1 infection inhibition, while dihydromyricetin (3) achieved an IC50 of 2.8 μg/mL (8.7 μM). The H1N1 inhibition activities of the elderberry flavonoids compare favorably to the known anti-influenza activities of Oseltamivir (Tamiflu®; 0.32 μM) and Amantadine (27 μM).},\n\tnumber = {10},\n\tjournal = {Phytochemistry},\n\tauthor = {Roschek Jr., Bill and Fink, Ryan C. and McMichael, Matthew D. and Li, Dan and Alberte, Randall S.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1255--1262},\n}\n\n\n\n
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\n\n\n
\n A ionization technique in mass spectrometry called Direct Analysis in Real Time Mass Spectrometry (DART TOF-MS) coupled with a Direct Binding Assay was used to identify and characterize anti-viral components of an elderberry fruit (Sambucus nigra L.) extract without either derivatization or separation by standard chromatographic techniques. The elderberry extract inhibited Human Influenza A (H1N1) infection in vitro with an IC50 value of 252 ± 34 μg/mL. The Direct Binding Assay established that flavonoids from the elderberry extract bind to H1N1 virions and, when bound, block the ability of the viruses to infect host cells. Two compounds were identified, 5,7,3′,4′-tetra-O-methylquercetin (1) and 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chroman-3-yl-3,4,5-trihydroxycyclohexanecarboxylate (2), as H1N1-bound chemical species. Compound 1 and dihydromyricetin (3), the corresponding 3-hydroxyflavonone of 2, were synthesized and shown to inhibit H1N1 infection in vitro by binding to H1N1 virions, blocking host cell entry and/or recognition. Compound 1 gave an IC50 of 0.13 μg/mL (0.36 μM) for H1N1 infection inhibition, while dihydromyricetin (3) achieved an IC50 of 2.8 μg/mL (8.7 μM). The H1N1 inhibition activities of the elderberry flavonoids compare favorably to the known anti-influenza activities of Oseltamivir (Tamiflu®; 0.32 μM) and Amantadine (27 μM).\n
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\n \n\n \n \n \n \n \n Screening of Cocaine and Its Metabolites in Human Urine Samples by Direct Analysis in Real-Time Source Coupled to Time-of-Flight Mass Spectrometry After Online Preconcentration Utilizing Microextraction by Packed Sorbent.\n \n \n \n\n\n \n Jagerdeo, E.; and Abdel-Rehim, M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(5): 891–899. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{jagerdeo_screening_2009,\n\ttitle = {Screening of {Cocaine} and {Its} {Metabolites} in {Human} {Urine} {Samples} by {Direct} {Analysis} in {Real}-{Time} {Source} {Coupled} to {Time}-of-{Flight} {Mass} {Spectrometry} {After} {Online} {Preconcentration} {Utilizing} {Microextraction} by {Packed} {Sorbent}},\n\tvolume = {20},\n\tdoi = {10.1016/j.jasms.2009.01.010},\n\tabstract = {Microextraction by packed sorbent (MEPS) has been evaluated for fast screening of drugs of abuse with mass spectrometric detection. In this study, C8 (octyl-silica, useful for nonpolar to moderately polar compounds), ENV+ (hydroxylated polystyrene-divinylbenzene copolymer, for extraction of aliphatic and aromatic polar compounds), Oasis MCX (sulfonic-poly(divinylbenzene-co-N-polyvinyl-pyrrolidone) copolymer), and Clean Screen DAU (mixed mode, ion exchanger for acidic and basic compounds) were used as sorbents for the MEPS. The focus was on fast extraction and preconcentration of the drugs with rapid analysis using a time-of-flight (TOF) mass spectrometer as the detector with direct analysis in a real-time (DART) source. The combination of an analysis time of less than 1 min and accurate mass of the first monoisotopic peak of the analyte and the relative abundances of the peaks in the isotopic clusters provided reliable information for identification. Furthermore, the study sought to demonstrate that it is possible to quantify the analyte of interest using a DART source when an internal standard is used. Of all the sorbents used in the study, Clean Screen DAU performed best for extraction of the analytes from urine. Using Clean Screen DAU to extract spiked samples containing the drugs, linearity was demonstrated for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene with average ranges of: 65–910, 75–1100, 95–1200, and 75–1100 ng/mL (n = 5), respectively. The limits of detection (LOD) for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene were 22.9 ng/mL, 23.7 ng/mL, 4.0 ng/mL, and 9.8 ng/mL respectively, using a signal-to-noise ratio of 3:1.},\n\tnumber = {5},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Jagerdeo, Eshwar and Abdel-Rehim, Mohamed},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {891--899},\n}\n\n\n\n
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\n Microextraction by packed sorbent (MEPS) has been evaluated for fast screening of drugs of abuse with mass spectrometric detection. In this study, C8 (octyl-silica, useful for nonpolar to moderately polar compounds), ENV+ (hydroxylated polystyrene-divinylbenzene copolymer, for extraction of aliphatic and aromatic polar compounds), Oasis MCX (sulfonic-poly(divinylbenzene-co-N-polyvinyl-pyrrolidone) copolymer), and Clean Screen DAU (mixed mode, ion exchanger for acidic and basic compounds) were used as sorbents for the MEPS. The focus was on fast extraction and preconcentration of the drugs with rapid analysis using a time-of-flight (TOF) mass spectrometer as the detector with direct analysis in a real-time (DART) source. The combination of an analysis time of less than 1 min and accurate mass of the first monoisotopic peak of the analyte and the relative abundances of the peaks in the isotopic clusters provided reliable information for identification. Furthermore, the study sought to demonstrate that it is possible to quantify the analyte of interest using a DART source when an internal standard is used. Of all the sorbents used in the study, Clean Screen DAU performed best for extraction of the analytes from urine. Using Clean Screen DAU to extract spiked samples containing the drugs, linearity was demonstrated for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene with average ranges of: 65–910, 75–1100, 95–1200, and 75–1100 ng/mL (n = 5), respectively. The limits of detection (LOD) for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene were 22.9 ng/mL, 23.7 ng/mL, 4.0 ng/mL, and 9.8 ng/mL respectively, using a signal-to-noise ratio of 3:1.\n
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\n \n\n \n \n \n \n \n Detection of Peroxide and Tetrazine Explosives on Surfaces by Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; Durst, H. D.; Connell, T. R.; and Nilles, J. M.\n\n\n \n\n\n\n American Laboratory Online Edition, 2(2): 1–5. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramee_detection_2009,\n\ttitle = {Detection of {Peroxide} and {Tetrazine} {Explosives} on {Surfaces} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {2},\n\tnumber = {2},\n\tjournal = {American Laboratory Online Edition},\n\tauthor = {Laramée, James A. and Durst, H. Dupont and Connell, Theresa R. and Nilles, J. Michael},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1--5},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n Ionization Mechanism of Positive-Ion Direct Analysis in Real Time: A Transient Microenvironment Concept.\n \n \n \n\n\n \n Song, L.; Gibson, S. C.; Bhandari, D.; Cook, K. D.; and Bartmess, J. E.\n\n\n \n\n\n\n Analytical Chemistry, 81(24): 10080–10088. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{song_ionization_2009,\n\ttitle = {Ionization {Mechanism} of {Positive}-{Ion} {Direct} {Analysis} in {Real} {Time}: {A} {Transient} {Microenvironment} {Concept}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tdoi = {10.1021/ac901122b},\n\tabstract = {A transient microenvironment mechanism (TMEM) is proposed to address matrix effects for direct analysis in real time (DART). When the DART gas stream is in contact with the sample, a transient microenvironment (TME), which can shield analytes from direct ionization, may be generated through the desorption of the matrix containing the analyte. The DART gas stream can directly ionize the matrix molecules, but the analytes will be ionized primarily through gas-phase ion/molecule reactions with the matrix ions. Experimental results showed that as little as 10 nL of liquid or 10 μg of solid was able to generate an efficient TME. Generated TMEs were able to control the ionization of an analyte below an analyte-to-matrix ratio that was dependent on the DART temperature and the boiling points of the analyte and matrix. TMEs generated by common solvents were studied in detail. The ionization of both polar and nonpolar compounds, present in a solvent or another analyte below a ratio of 1:100, were found to be mainly controlled by the generated TMEs at a DART temperature of 300 °C.},\n\tnumber = {24},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Song, Liguo and Gibson, Stephen C. and Bhandari, Deepak and Cook, Kelsey D. and Bartmess, John E.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {10080--10088},\n}\n\n\n\n
\n
\n\n\n
\n A transient microenvironment mechanism (TMEM) is proposed to address matrix effects for direct analysis in real time (DART). When the DART gas stream is in contact with the sample, a transient microenvironment (TME), which can shield analytes from direct ionization, may be generated through the desorption of the matrix containing the analyte. The DART gas stream can directly ionize the matrix molecules, but the analytes will be ionized primarily through gas-phase ion/molecule reactions with the matrix ions. Experimental results showed that as little as 10 nL of liquid or 10 μg of solid was able to generate an efficient TME. Generated TMEs were able to control the ionization of an analyte below an analyte-to-matrix ratio that was dependent on the DART temperature and the boiling points of the analyte and matrix. TMEs generated by common solvents were studied in detail. The ionization of both polar and nonpolar compounds, present in a solvent or another analyte below a ratio of 1:100, were found to be mainly controlled by the generated TMEs at a DART temperature of 300 °C.\n
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\n \n\n \n \n \n \n \n Elementary Guide to Ionization Methods for Mass Spectrometry− Introduction of Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Konuma, K.\n\n\n \n\n\n\n Bunseki, 9: 464–467. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{konuma_elementary_2009,\n\ttitle = {Elementary {Guide} to {Ionization} {Methods} for {Mass} {Spectrometry}− {Introduction} of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {9},\n\tjournal = {Bunseki},\n\tauthor = {Konuma, K.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {464--467},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Alcohols Can Now Be Analyzed by a Direct Analysis in Real-Time Method: Applications for Chemical Warfare Agent Synthesis.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Nilles, J.; and Connell, T.\n\n\n \n\n\n\n American Laboratory, 41(4): 24–27. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AlcoholsPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramee_alcohols_2009,\n\ttitle = {Alcohols {Can} {Now} {Be} {Analyzed} by a {Direct} {Analysis} in {Real}-{Time} {Method}: {Applications} for {Chemical} {Warfare} {Agent} {Synthesis}},\n\tvolume = {41},\n\turl = {http://www.americanlaboratory.com/914-Application-Notes/652-Alcohols-Can-Now-Be-Analyzed-by-a-Direct-Analysis-in-Real-Time-Method-Applications-for-Chemical-Warfare-Agent-Synthesis/},\n\tabstract = {The cardinal principle for an operation involving chemical agents is to limit the potential exposure to a minimum number of personnel, for a minimum period of time, to a minimum amount of the chemical agent consistent with safe and efficient operations.1 This requires that the synthetic schemes be rapid and free from unnecessary by-products that would require otherwise further sample handling. Thus, acid/base chemistries with alcohols as intermediates are often used to synthesize phosphonofluoridates, phosphoramidocyanidate, and phosphonothioates.\n\nDovetailing into the cardinal principle is the need for a rapid chemical analysis method that can accurately confirm the identity and purity of the starting materials, intermediates, and final product(s). In order to accomplish these objectives, the U.S. Army’s Edgewood Chemical Biological Center (ECBC) has been using the Direct Analysis in Real Time (DART™) method (JEOL USA, Inc., Peabody, MA) since 2002.2 Since that time, a flurry of other open-air methods based on the use of metastable species has been seen.\n\nDuring the course of a large synthesis project comprising many organophosphorus compounds and their isotopically labeled analogs, it was observed that the DART datum for labeled alcohol intermediates neither corroborated the nuclear magnetic resonance (NMR) datum nor the GC-MS datum. Yet the data from these three analytical methods were in agreement when the final chemical agent product was analyzed. An investigation was initiated in order to discover the cause of this discrepancy, and a procedure was developed that allowed alcohols and organophosphorus intermediates to be analyzed by DART.},\n\tnumber = {4},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D. and Nilles, J.M. and Connell, T.R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {24--27},\n}\n\n\n\n
\n
\n\n\n
\n The cardinal principle for an operation involving chemical agents is to limit the potential exposure to a minimum number of personnel, for a minimum period of time, to a minimum amount of the chemical agent consistent with safe and efficient operations.1 This requires that the synthetic schemes be rapid and free from unnecessary by-products that would require otherwise further sample handling. Thus, acid/base chemistries with alcohols as intermediates are often used to synthesize phosphonofluoridates, phosphoramidocyanidate, and phosphonothioates. Dovetailing into the cardinal principle is the need for a rapid chemical analysis method that can accurately confirm the identity and purity of the starting materials, intermediates, and final product(s). In order to accomplish these objectives, the U.S. Army’s Edgewood Chemical Biological Center (ECBC) has been using the Direct Analysis in Real Time (DART™) method (JEOL USA, Inc., Peabody, MA) since 2002.2 Since that time, a flurry of other open-air methods based on the use of metastable species has been seen. During the course of a large synthesis project comprising many organophosphorus compounds and their isotopically labeled analogs, it was observed that the DART datum for labeled alcohol intermediates neither corroborated the nuclear magnetic resonance (NMR) datum nor the GC-MS datum. Yet the data from these three analytical methods were in agreement when the final chemical agent product was analyzed. An investigation was initiated in order to discover the cause of this discrepancy, and a procedure was developed that allowed alcohols and organophosphorus intermediates to be analyzed by DART.\n
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\n \n\n \n \n \n \n \n \n Detection of Gamma-Hydroxybutyric Acid in Various Drink Matrices via AccuTOF-DART*.\n \n \n \n \n\n\n \n Bennett, M. J.; and Steiner, R. R.\n\n\n \n\n\n\n Journal of Forensic Sciences, 54(2): 370–375. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{bennett_detection_2009,\n\ttitle = {Detection of {Gamma}-{Hydroxybutyric} {Acid} in {Various} {Drink} {Matrices} via {AccuTOF}-{DART}*},\n\tvolume = {54},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2008.00955.x},\n\tdoi = {10.1111/j.1556-4029.2008.00955.x},\n\tabstract = {Abstract:  A new screening method for detecting gamma-hydroxybutyric acid (GHB) in drink matrices, using the IonSense, Inc. (Saugus, MA) direct analysis in real time (DART) ion source coupled to a JEOL exact mass time-of-flight mass spectrometer (AccuTOF), was validated and compared with the current screening methodology. The DART ion source allows for analysis of samples under ambient conditions with little to no sample preparation. Fifty drink specimens were spiked at levels of 1, 2, 3, and 4 mg/mL GHB, and analyzed on the AccuTOF-DART. Positive detection of GHB occurred for each of the samples at each concentration level, giving 100\\% accuracy for the samples tested. Twenty-five of the 50 drink specimens were spiked at 1 mg/mL GHB and tested using a color test known as the GHB Color Test \\#3. Only two of these 25 specimens tested positive for the presence of GHB, giving only 8\\% accuracy. Implementation of this new methodology as a screening tool for GHB analysis will quickly eliminate negative specimens allowing the examiner to focus analysis time on those that screened positive.},\n\tnumber = {2},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Bennett, Mark J. and Steiner, Robert R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF, Direct analysis in real time, Screening, controlled substances, forensic science, gamma-hydroxybutyrate, gamma-hydroxybutyric acid, mass spectrometry, time of flight},\n\tpages = {370--375},\n}\n\n\n\n
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\n\n\n
\n Abstract:  A new screening method for detecting gamma-hydroxybutyric acid (GHB) in drink matrices, using the IonSense, Inc. (Saugus, MA) direct analysis in real time (DART) ion source coupled to a JEOL exact mass time-of-flight mass spectrometer (AccuTOF), was validated and compared with the current screening methodology. The DART ion source allows for analysis of samples under ambient conditions with little to no sample preparation. Fifty drink specimens were spiked at levels of 1, 2, 3, and 4 mg/mL GHB, and analyzed on the AccuTOF-DART. Positive detection of GHB occurred for each of the samples at each concentration level, giving 100% accuracy for the samples tested. Twenty-five of the 50 drink specimens were spiked at 1 mg/mL GHB and tested using a color test known as the GHB Color Test #3. Only two of these 25 specimens tested positive for the presence of GHB, giving only 8% accuracy. Implementation of this new methodology as a screening tool for GHB analysis will quickly eliminate negative specimens allowing the examiner to focus analysis time on those that screened positive.\n
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\n \n\n \n \n \n \n \n Identification of a cannabimimetic indole as a designer drug in a herbal product.\n \n \n \n\n\n \n Uchiyama, N.; Kikura-Hanajiri, R.; Kawahara, N.; and Goda, Y.\n\n\n \n\n\n\n Forensic Toxicology, 27(2): 61–66. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{uchiyama_identification_2009,\n\ttitle = {Identification of a cannabimimetic indole as a designer drug in a herbal product},\n\tvolume = {27},\n\tnumber = {2},\n\tjournal = {Forensic Toxicology},\n\tauthor = {Uchiyama, N. and Kikura-Hanajiri, R. and Kawahara, N. and Goda, Y.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {61--66},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Rapid and nondestructive analysis of phthalic acid esters in toys made of poly(vinyl chloride) by direct analysis in real time single-quadrupole mass spectrometry.\n \n \n \n\n\n \n Rothenbacher, T.; and Schwack, W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 23(17): 2829–2835. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{rothenbacher_rapid_2009,\n\ttitle = {Rapid and nondestructive analysis of phthalic acid esters in toys made of poly(vinyl chloride) by direct analysis in real time single-quadrupole mass spectrometry},\n\tvolume = {23},\n\tissn = {1097-0231},\n\tabstract = {In the European Community, selected phthalic acid esters (PAE) are restricted in their use for the manufacture of toys and childcare articles to a content of 0.1\\% by weight. As PAE are mainly used as plasticisers for poly(vinyl chloride) (PVC), a rapid screening method for PVC samples with direct analysis in real time ionisation and single-quadrupole mass spectrometry (DART-MS) was developed. Using the ions for the protonated molecules, a limit of detection (LOD) of 0.05\\% was obtained for benzyl butyl phthalate, bis(2-ethylhexyl) phthalate and diisononyl phthalate, while for dibutyl phthalate, di-n-octyl phthalate and diisodecyl phthalate the LOD was 0.1\\%. Validation of identification by the presence of ammonium adducts and characteristic fragment ions was possible to a content of ge1\\% for all PAE, except for benzyl butyl phthalate (ge5\\%). Based on the fragment ions, bis(2-ethylhexyl) phthalate could clearly be distinguished from di-n-octyl phthalate, if the concentrations were ge5\\% and ge1\\% at measured DART helium temperatures of 130 and 310°C, respectively. The complete analysis of one sample only took about 8 min. At the generally used gas temperature of 130°C, most toy and childcare samples did not sustain damage if their shape fitted into the DART source.},\n\tnumber = {17},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rothenbacher, Thorsten and Schwack, Wolfgang},\n\tyear = {2009},\n\tkeywords = {Agilent Quad},\n\tpages = {2829--2835},\n}\n\n\n\n
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\n\n\n
\n In the European Community, selected phthalic acid esters (PAE) are restricted in their use for the manufacture of toys and childcare articles to a content of 0.1% by weight. As PAE are mainly used as plasticisers for poly(vinyl chloride) (PVC), a rapid screening method for PVC samples with direct analysis in real time ionisation and single-quadrupole mass spectrometry (DART-MS) was developed. Using the ions for the protonated molecules, a limit of detection (LOD) of 0.05% was obtained for benzyl butyl phthalate, bis(2-ethylhexyl) phthalate and diisononyl phthalate, while for dibutyl phthalate, di-n-octyl phthalate and diisodecyl phthalate the LOD was 0.1%. Validation of identification by the presence of ammonium adducts and characteristic fragment ions was possible to a content of ge1% for all PAE, except for benzyl butyl phthalate (ge5%). Based on the fragment ions, bis(2-ethylhexyl) phthalate could clearly be distinguished from di-n-octyl phthalate, if the concentrations were ge5% and ge1% at measured DART helium temperatures of 130 and 310°C, respectively. The complete analysis of one sample only took about 8 min. At the generally used gas temperature of 130°C, most toy and childcare samples did not sustain damage if their shape fitted into the DART source.\n
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\n \n\n \n \n \n \n \n Ionization Mechanism of Positive-Ion Direct Analysis in Real Time: A Transient Microenvironment Concept.\n \n \n \n\n\n \n Song, L.; Gibson, S. C.; Bhandari, D.; Cook, K. D.; and Bartmess, J. E.\n\n\n \n\n\n\n Analytical Chemistry, 81(24): 10080–10088. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{song_ionization_2009,\n\ttitle = {Ionization {Mechanism} of {Positive}-{Ion} {Direct} {Analysis} in {Real} {Time}: {A} {Transient} {Microenvironment} {Concept}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tdoi = {10.1021/ac901122b},\n\tabstract = {A transient microenvironment mechanism (TMEM) is proposed to address matrix effects for direct analysis in real time (DART). When the DART gas stream is in contact with the sample, a transient microenvironment (TME), which can shield analytes from direct ionization, may be generated through the desorption of the matrix containing the analyte. The DART gas stream can directly ionize the matrix molecules, but the analytes will be ionized primarily through gas-phase ion/molecule reactions with the matrix ions. Experimental results showed that as little as 10 nL of liquid or 10 μg of solid was able to generate an efficient TME. Generated TMEs were able to control the ionization of an analyte below an analyte-to-matrix ratio that was dependent on the DART temperature and the boiling points of the analyte and matrix. TMEs generated by common solvents were studied in detail. The ionization of both polar and nonpolar compounds, present in a solvent or another analyte below a ratio of 1:100, were found to be mainly controlled by the generated TMEs at a DART temperature of 300 °C.},\n\tnumber = {24},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Song, Liguo and Gibson, Stephen C. and Bhandari, Deepak and Cook, Kelsey D. and Bartmess, John E.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {10080--10088},\n}\n\n\n\n
\n
\n\n\n
\n A transient microenvironment mechanism (TMEM) is proposed to address matrix effects for direct analysis in real time (DART). When the DART gas stream is in contact with the sample, a transient microenvironment (TME), which can shield analytes from direct ionization, may be generated through the desorption of the matrix containing the analyte. The DART gas stream can directly ionize the matrix molecules, but the analytes will be ionized primarily through gas-phase ion/molecule reactions with the matrix ions. Experimental results showed that as little as 10 nL of liquid or 10 μg of solid was able to generate an efficient TME. Generated TMEs were able to control the ionization of an analyte below an analyte-to-matrix ratio that was dependent on the DART temperature and the boiling points of the analyte and matrix. TMEs generated by common solvents were studied in detail. The ionization of both polar and nonpolar compounds, present in a solvent or another analyte below a ratio of 1:100, were found to be mainly controlled by the generated TMEs at a DART temperature of 300 °C.\n
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\n \n\n \n \n \n \n \n Ambient mass spectrometry employing direct analysis in real time (DART) ion source for olive oil quality and authenticity assessment.\n \n \n \n\n\n \n Vaclavik, L.; Cajka, T.; Hrbek, V.; and Hajslova, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 645(1-2): 56–63. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{vaclavik_ambient_2009,\n\ttitle = {Ambient mass spectrometry employing direct analysis in real time ({DART}) ion source for olive oil quality and authenticity assessment},\n\tvolume = {645},\n\tdoi = {10.1016/j.aca.2009.04.043},\n\tabstract = {A novel approach for the authentication of olive oil samples representing different quality grades has been developed. A new type of ion source, direct analysis in real time (DART), coupled to a high-resolution time-of-flight mass spectrometer (TOFMS) was employed for the comprehensive profiling of triacylglycerols (TAGs) and/or polar compounds extracted with a methanol–water mixture. The main parameters influencing the ionization efficiency of TAGs were the type of sample solvent, degree of sample dilution, ion beam temperature, and presence of a dopant (ammonia vapors). The ionization yield of polar compounds depended mainly on a content of water in the extract and ion beam temperature. Using DART–TOFMS, not only differentiation among extra virgin olive oil (EVOO), olive pomace oil (OPO) and olive oil (OO) could be easily achieved, but also EVOO adulteration with commonly used adulterant, hazelnut oil (HO), was feasible. Based on the linear discriminant analysis (LDA), the introduced method allowed detection of HO addition of 6 and 15\\% (v/v) when assessing DART–TOFMS mass profiles of polar compounds and TAGs, respectively.},\n\tnumber = {1-2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Vaclavik, Lukas and Cajka, Tomas and Hrbek, Vojtech and Hajslova, J.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {56--63},\n}\n\n\n\n
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\n A novel approach for the authentication of olive oil samples representing different quality grades has been developed. A new type of ion source, direct analysis in real time (DART), coupled to a high-resolution time-of-flight mass spectrometer (TOFMS) was employed for the comprehensive profiling of triacylglycerols (TAGs) and/or polar compounds extracted with a methanol–water mixture. The main parameters influencing the ionization efficiency of TAGs were the type of sample solvent, degree of sample dilution, ion beam temperature, and presence of a dopant (ammonia vapors). The ionization yield of polar compounds depended mainly on a content of water in the extract and ion beam temperature. Using DART–TOFMS, not only differentiation among extra virgin olive oil (EVOO), olive pomace oil (OPO) and olive oil (OO) could be easily achieved, but also EVOO adulteration with commonly used adulterant, hazelnut oil (HO), was feasible. Based on the linear discriminant analysis (LDA), the introduced method allowed detection of HO addition of 6 and 15% (v/v) when assessing DART–TOFMS mass profiles of polar compounds and TAGs, respectively.\n
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\n \n\n \n \n \n \n \n Ionization Mechanism of Negative Ion-Direct Analysis in Real Time: A Comparative Study with Negative Ion-Atmospheric Pressure Photoionization.\n \n \n \n\n\n \n Song, L.; Dykstra, A. B.; Yao, H.; and Bartmess, J. E.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(1): 42–50. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{song_ionization_2009,\n\ttitle = {Ionization {Mechanism} of {Negative} {Ion}-{Direct} {Analysis} in {Real} {Time}: {A} {Comparative} {Study} with {Negative} {Ion}-{Atmospheric} {Pressure} {Photoionization}},\n\tvolume = {20},\n\tabstract = {The ionization mechanism of negative ion-direct analysis in real time (NI-DART) has been investigated using over 42 compounds, including fullerenes, perfluorocarbons (PFC), organic explosives, phenols, pentafluorobenzyl (PFB) derivatized phenols, anilines, and carboxylic\nacids, which were previously studied by negative ion-atmospheric pressure photoionization (NI-APPI). NI-DART generated ionization products similar to NI-APPI, which led to four ionization mechanisms, including electron capture (EC), dissociative EC, proton transfer, and\nanion attachment. These four ionization mechanisms make both NI-DART and NI-APPI capable of ionizing a wider range of compounds than negative ion-atmospheric pressure chemical ionization (APCI) or negative ion-electrospray ionization (ESI). As the operation of NI-DART is much easier than that of NI-APPI and the gas-phase ion chemistry of NI-DART is more easily manipulated than that of NI-APPI, NI-DART can be therefore used to study in detail the ionization mechanism of LC/NI-APPI-MS, which would be a powerful methodology for the quantification of low-polarity compounds. Herein, one such application has been further demonstrated in the detection and identification of background ions from LC solvents and APPI dopants, including water, acetonitrile, chloroform, methylene chloride, methanol, 2-propanol, hexanes, heptane, cyclohexane, acetone, tetrahydrofuran (THF), 1,4-dioxane, toluene, and anisole. Possible reaction pathways leading to the formation of these background\nions were further inferred. One of the conclusions from these experiments is that THF and 1,4-dioxane are inappropriate to be used as solvents and/or dopants for LC/NI-APPI-MS due to their high reactivity with source basic ions, leading to many reactant ions in the background.},\n\tnumber = {1},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Song, Liguo and Dykstra, Andrew B. and Yao, Huifang and Bartmess, John E.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {42--50},\n}\n\n\n\n
\n
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\n The ionization mechanism of negative ion-direct analysis in real time (NI-DART) has been investigated using over 42 compounds, including fullerenes, perfluorocarbons (PFC), organic explosives, phenols, pentafluorobenzyl (PFB) derivatized phenols, anilines, and carboxylic acids, which were previously studied by negative ion-atmospheric pressure photoionization (NI-APPI). NI-DART generated ionization products similar to NI-APPI, which led to four ionization mechanisms, including electron capture (EC), dissociative EC, proton transfer, and anion attachment. These four ionization mechanisms make both NI-DART and NI-APPI capable of ionizing a wider range of compounds than negative ion-atmospheric pressure chemical ionization (APCI) or negative ion-electrospray ionization (ESI). As the operation of NI-DART is much easier than that of NI-APPI and the gas-phase ion chemistry of NI-DART is more easily manipulated than that of NI-APPI, NI-DART can be therefore used to study in detail the ionization mechanism of LC/NI-APPI-MS, which would be a powerful methodology for the quantification of low-polarity compounds. Herein, one such application has been further demonstrated in the detection and identification of background ions from LC solvents and APPI dopants, including water, acetonitrile, chloroform, methylene chloride, methanol, 2-propanol, hexanes, heptane, cyclohexane, acetone, tetrahydrofuran (THF), 1,4-dioxane, toluene, and anisole. Possible reaction pathways leading to the formation of these background ions were further inferred. One of the conclusions from these experiments is that THF and 1,4-dioxane are inappropriate to be used as solvents and/or dopants for LC/NI-APPI-MS due to their high reactivity with source basic ions, leading to many reactant ions in the background.\n
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\n \n\n \n \n \n \n \n NADP+-dependent farnesol dehydrogenase, a corpora allata enzyme involved in juvenile hormone synthesis.\n \n \n \n\n\n \n Mayoral, J. G.; Nouzova, M.; Navare, A.; and Noriega, F. G.\n\n\n \n\n\n\n Proceedings of the National Academy of Sciences, 106(50): 21091–21096. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{mayoral_nadp+-dependent_2009,\n\ttitle = {{NADP}+-dependent farnesol dehydrogenase, a corpora allata enzyme involved in juvenile hormone synthesis},\n\tvolume = {106},\n\tdoi = {10.1073/pnas.0909938106},\n\tabstract = {The synthesis of juvenile hormone (JH) is an attractive target for control of insect pests and vectors of disease, but the minute size of the corpora allata (CA), the glands that synthesize JH, has made it difficult to identify important biosynthetic enzymes by classical biochemical approaches. Here, we report identification and characterization of an insect farnesol dehydrogenase (SDR-1) that oxidizes farnesol into farnesal, a precursor of JH, in the CA. SDR-1 was isolated as an EST in a library of the corpora allata-corpora cardiaca of the mosquito . The 245-amino acid protein presents the typical short-chain dehydrogenase (SDR) Rossmann-fold motif for nucleotide binding. This feature, together with other conserved sequence motifs, place SDR-1 into the “classical” NADP-dependent cP2 SDR subfamily. The gene is part of a group of highly conserved paralogs that cluster together in the mosquito genome; similar clusters of orthologs were found in other insect species. SDR-1 acts as a homodimer and efficiently oxidizes C to C isoprenoid and aliphatic alcohols, showing the highest affinity for the conversion of farnesol into farnesal. Farnesol dehydrogenase activity was not detected in the CA of newly emerged mosquitoes but significant activity was detected 24 h later. Real time PCR experiments revealed that SDR-1 mRNA levels were very low in the inactive CA of the newly emerged female, but increased {\\textgreater}30-fold 24 h later during the peak of JH synthesis. These results suggest that oxidation of farnesol might be a rate-limiting step in JH III synthesis in adult mosquitoes.},\n\tnumber = {50},\n\tjournal = {Proceedings of the National Academy of Sciences},\n\tauthor = {Mayoral, Jaime G. and Nouzova, Marcela and Navare, Arti and Noriega, Fernando G.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {21091--21096},\n}\n\n\n\n
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\n The synthesis of juvenile hormone (JH) is an attractive target for control of insect pests and vectors of disease, but the minute size of the corpora allata (CA), the glands that synthesize JH, has made it difficult to identify important biosynthetic enzymes by classical biochemical approaches. Here, we report identification and characterization of an insect farnesol dehydrogenase (SDR-1) that oxidizes farnesol into farnesal, a precursor of JH, in the CA. SDR-1 was isolated as an EST in a library of the corpora allata-corpora cardiaca of the mosquito . The 245-amino acid protein presents the typical short-chain dehydrogenase (SDR) Rossmann-fold motif for nucleotide binding. This feature, together with other conserved sequence motifs, place SDR-1 into the “classical” NADP-dependent cP2 SDR subfamily. The gene is part of a group of highly conserved paralogs that cluster together in the mosquito genome; similar clusters of orthologs were found in other insect species. SDR-1 acts as a homodimer and efficiently oxidizes C to C isoprenoid and aliphatic alcohols, showing the highest affinity for the conversion of farnesol into farnesal. Farnesol dehydrogenase activity was not detected in the CA of newly emerged mosquitoes but significant activity was detected 24 h later. Real time PCR experiments revealed that SDR-1 mRNA levels were very low in the inactive CA of the newly emerged female, but increased \\textgreater30-fold 24 h later during the peak of JH synthesis. These results suggest that oxidation of farnesol might be a rate-limiting step in JH III synthesis in adult mosquitoes.\n
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\n \n\n \n \n \n \n \n \n Alcohols Can Now Be Analyzed by a Direct Analysis in Real-Time Method: Applications for Chemical Warfare Agent Synthesis.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Nilles, J.; and Connell, T.\n\n\n \n\n\n\n American Laboratory, 41(4): 24–27. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AlcoholsPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{laramee_alcohols_2009,\n\ttitle = {Alcohols {Can} {Now} {Be} {Analyzed} by a {Direct} {Analysis} in {Real}-{Time} {Method}: {Applications} for {Chemical} {Warfare} {Agent} {Synthesis}},\n\tvolume = {41},\n\turl = {http://www.americanlaboratory.com/914-Application-Notes/652-Alcohols-Can-Now-Be-Analyzed-by-a-Direct-Analysis-in-Real-Time-Method-Applications-for-Chemical-Warfare-Agent-Synthesis/},\n\tabstract = {The cardinal principle for an operation involving chemical agents is to limit the potential exposure to a minimum number of personnel, for a minimum period of time, to a minimum amount of the chemical agent consistent with safe and efficient operations.1 This requires that the synthetic schemes be rapid and free from unnecessary by-products that would require otherwise further sample handling. Thus, acid/base chemistries with alcohols as intermediates are often used to synthesize phosphonofluoridates, phosphoramidocyanidate, and phosphonothioates.\n\nDovetailing into the cardinal principle is the need for a rapid chemical analysis method that can accurately confirm the identity and purity of the starting materials, intermediates, and final product(s). In order to accomplish these objectives, the U.S. Army’s Edgewood Chemical Biological Center (ECBC) has been using the Direct Analysis in Real Time (DART™) method (JEOL USA, Inc., Peabody, MA) since 2002.2 Since that time, a flurry of other open-air methods based on the use of metastable species has been seen.\n\nDuring the course of a large synthesis project comprising many organophosphorus compounds and their isotopically labeled analogs, it was observed that the DART datum for labeled alcohol intermediates neither corroborated the nuclear magnetic resonance (NMR) datum nor the GC-MS datum. Yet the data from these three analytical methods were in agreement when the final chemical agent product was analyzed. An investigation was initiated in order to discover the cause of this discrepancy, and a procedure was developed that allowed alcohols and organophosphorus intermediates to be analyzed by DART.},\n\tnumber = {4},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D. and Nilles, J.M. and Connell, T.R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {24--27},\n}\n\n\n\n
\n
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\n The cardinal principle for an operation involving chemical agents is to limit the potential exposure to a minimum number of personnel, for a minimum period of time, to a minimum amount of the chemical agent consistent with safe and efficient operations.1 This requires that the synthetic schemes be rapid and free from unnecessary by-products that would require otherwise further sample handling. Thus, acid/base chemistries with alcohols as intermediates are often used to synthesize phosphonofluoridates, phosphoramidocyanidate, and phosphonothioates. Dovetailing into the cardinal principle is the need for a rapid chemical analysis method that can accurately confirm the identity and purity of the starting materials, intermediates, and final product(s). In order to accomplish these objectives, the U.S. Army’s Edgewood Chemical Biological Center (ECBC) has been using the Direct Analysis in Real Time (DART™) method (JEOL USA, Inc., Peabody, MA) since 2002.2 Since that time, a flurry of other open-air methods based on the use of metastable species has been seen. During the course of a large synthesis project comprising many organophosphorus compounds and their isotopically labeled analogs, it was observed that the DART datum for labeled alcohol intermediates neither corroborated the nuclear magnetic resonance (NMR) datum nor the GC-MS datum. Yet the data from these three analytical methods were in agreement when the final chemical agent product was analyzed. An investigation was initiated in order to discover the cause of this discrepancy, and a procedure was developed that allowed alcohols and organophosphorus intermediates to be analyzed by DART.\n
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\n \n\n \n \n \n \n \n Temperature-dependent release of volatile organic compounds of eucalypts by direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Maleknia, S. D.; Vail, T. M.; Cody, R. B.; Sparkman, D. O.; Bell, T. L.; and Adams, M. A.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 23(15): 2241–2246. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{maleknia_temperature-dependent_2009,\n\ttitle = {Temperature-dependent release of volatile organic compounds of eucalypts by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {23},\n\tissn = {1097-0231},\n\tabstract = {A method is described for the rapid identification of biogenic, volatile organic compounds (VOCs) emitted by plants, including the analysis of the temperature dependence of those emissions. Direct analysis in real time (DART) enabled ionization of VOCs from stem and leaf of several eucalyptus species including E. cinerea, E. citriodora, E. nicholii and E. sideroxylon. Plant tissues were placed directly in the gap between the DART ionization source skimmer and the capillary inlet of the time-of-flight (TOF) mass spectrometer. Temperature-dependent emission of VOCs was achieved by adjusting the temperature of the helium gas into the DART ionization source at 50, 100, 200 and 300°C, which enabled direct evaporation of compounds, up to the onset of pyrolysis of plant fibres (i.e. cellulose and lignin). Accurate mass measurements facilitated by TOF mass spectrometry provided elemental compositions for the VOCs. A wide range of compounds was detected from simple organic compounds (i.e. methanol and acetone) to a series of monoterpenes (i.e. pinene, camphene, cymene, eucalyptol) common to many plant species, as well as several less abundant sesquiterpenes and flavonoids (i.e. naringenin, spathulenol, eucalyptin) with antioxidant and antimicrobial properties. The leaf and stem tissues for all four eucalypt species showed similar compounds. The relative abundances of methanol and ethanol were greater in stem wood than in leaf tissue suggesting that DART could be used to investigate the tissue-specific transport and emissions of VOCs.},\n\tnumber = {15},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Maleknia, Simin D. and Vail, Teresa M. and Cody, Robert B. and Sparkman, David O. and Bell, Tina L. and Adams, Mark A.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {2241--2246},\n}\n\n\n\n
\n
\n\n\n
\n A method is described for the rapid identification of biogenic, volatile organic compounds (VOCs) emitted by plants, including the analysis of the temperature dependence of those emissions. Direct analysis in real time (DART) enabled ionization of VOCs from stem and leaf of several eucalyptus species including E. cinerea, E. citriodora, E. nicholii and E. sideroxylon. Plant tissues were placed directly in the gap between the DART ionization source skimmer and the capillary inlet of the time-of-flight (TOF) mass spectrometer. Temperature-dependent emission of VOCs was achieved by adjusting the temperature of the helium gas into the DART ionization source at 50, 100, 200 and 300°C, which enabled direct evaporation of compounds, up to the onset of pyrolysis of plant fibres (i.e. cellulose and lignin). Accurate mass measurements facilitated by TOF mass spectrometry provided elemental compositions for the VOCs. A wide range of compounds was detected from simple organic compounds (i.e. methanol and acetone) to a series of monoterpenes (i.e. pinene, camphene, cymene, eucalyptol) common to many plant species, as well as several less abundant sesquiterpenes and flavonoids (i.e. naringenin, spathulenol, eucalyptin) with antioxidant and antimicrobial properties. The leaf and stem tissues for all four eucalypt species showed similar compounds. The relative abundances of methanol and ethanol were greater in stem wood than in leaf tissue suggesting that DART could be used to investigate the tissue-specific transport and emissions of VOCs.\n
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\n \n\n \n \n \n \n \n Screening of Cocaine and Its Metabolites in Human Urine Samples by Direct Analysis in Real-Time Source Coupled to Time-of-Flight Mass Spectrometry After Online Preconcentration Utilizing Microextraction by Packed Sorbent.\n \n \n \n\n\n \n Jagerdeo, E.; and Abdel-Rehim, M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(5): 891–899. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{jagerdeo_screening_2009,\n\ttitle = {Screening of {Cocaine} and {Its} {Metabolites} in {Human} {Urine} {Samples} by {Direct} {Analysis} in {Real}-{Time} {Source} {Coupled} to {Time}-of-{Flight} {Mass} {Spectrometry} {After} {Online} {Preconcentration} {Utilizing} {Microextraction} by {Packed} {Sorbent}},\n\tvolume = {20},\n\tdoi = {10.1016/j.jasms.2009.01.010},\n\tabstract = {Microextraction by packed sorbent (MEPS) has been evaluated for fast screening of drugs of abuse with mass spectrometric detection. In this study, C8 (octyl-silica, useful for nonpolar to moderately polar compounds), ENV+ (hydroxylated polystyrene-divinylbenzene copolymer, for extraction of aliphatic and aromatic polar compounds), Oasis MCX (sulfonic-poly(divinylbenzene-co-N-polyvinyl-pyrrolidone) copolymer), and Clean Screen DAU (mixed mode, ion exchanger for acidic and basic compounds) were used as sorbents for the MEPS. The focus was on fast extraction and preconcentration of the drugs with rapid analysis using a time-of-flight (TOF) mass spectrometer as the detector with direct analysis in a real-time (DART) source. The combination of an analysis time of less than 1 min and accurate mass of the first monoisotopic peak of the analyte and the relative abundances of the peaks in the isotopic clusters provided reliable information for identification. Furthermore, the study sought to demonstrate that it is possible to quantify the analyte of interest using a DART source when an internal standard is used. Of all the sorbents used in the study, Clean Screen DAU performed best for extraction of the analytes from urine. Using Clean Screen DAU to extract spiked samples containing the drugs, linearity was demonstrated for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene with average ranges of: 65–910, 75–1100, 95–1200, and 75–1100 ng/mL (n = 5), respectively. The limits of detection (LOD) for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene were 22.9 ng/mL, 23.7 ng/mL, 4.0 ng/mL, and 9.8 ng/mL respectively, using a signal-to-noise ratio of 3:1.},\n\tnumber = {5},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Jagerdeo, Eshwar and Abdel-Rehim, Mohamed},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {891--899},\n}\n\n\n\n
\n
\n\n\n
\n Microextraction by packed sorbent (MEPS) has been evaluated for fast screening of drugs of abuse with mass spectrometric detection. In this study, C8 (octyl-silica, useful for nonpolar to moderately polar compounds), ENV+ (hydroxylated polystyrene-divinylbenzene copolymer, for extraction of aliphatic and aromatic polar compounds), Oasis MCX (sulfonic-poly(divinylbenzene-co-N-polyvinyl-pyrrolidone) copolymer), and Clean Screen DAU (mixed mode, ion exchanger for acidic and basic compounds) were used as sorbents for the MEPS. The focus was on fast extraction and preconcentration of the drugs with rapid analysis using a time-of-flight (TOF) mass spectrometer as the detector with direct analysis in a real-time (DART) source. The combination of an analysis time of less than 1 min and accurate mass of the first monoisotopic peak of the analyte and the relative abundances of the peaks in the isotopic clusters provided reliable information for identification. Furthermore, the study sought to demonstrate that it is possible to quantify the analyte of interest using a DART source when an internal standard is used. Of all the sorbents used in the study, Clean Screen DAU performed best for extraction of the analytes from urine. Using Clean Screen DAU to extract spiked samples containing the drugs, linearity was demonstrated for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene with average ranges of: 65–910, 75–1100, 95–1200, and 75–1100 ng/mL (n = 5), respectively. The limits of detection (LOD) for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene were 22.9 ng/mL, 23.7 ng/mL, 4.0 ng/mL, and 9.8 ng/mL respectively, using a signal-to-noise ratio of 3:1.\n
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\n \n\n \n \n \n \n \n Combining Two-Dimensional Diffusion-Ordered Nuclear Magnetic Resonance Spectroscopy, Imaging Desorption Electrospray Ionization Mass Spectrometry, and Direct Analysis in Real-Time Mass Spectrometry for the Integral Investigation of Counterfeit Pharmaceuticals.\n \n \n \n\n\n \n Nyadong, L.; Harris, G. A.; Balayssac, S.; Galhena, A. S.; Malet-Martino, M.; Martino, R.; Parry, R. M.; Wang, M. D.; Fernández, F. M.; and Gilard, V.\n\n\n \n\n\n\n Analytical Chemistry, 81(12): 4803–4812. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nyadong_combining_2009,\n\ttitle = {Combining {Two}-{Dimensional} {Diffusion}-{Ordered} {Nuclear} {Magnetic} {Resonance} {Spectroscopy}, {Imaging} {Desorption} {Electrospray} {Ionization} {Mass} {Spectrometry}, and {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry} for the {Integral} {Investigation} of {Counterfeit} {Pharmaceuticals}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tabstract = {During the past decade, there has been a marked increase in the number of reported cases involving counterfeit medicines in developing and developed countries. Particularly, artesunate-based antimalarial drugs have been targeted, because of their high demand and cost. Counterfeit antimalarials can cause death and can contribute to the growing problem of drug resistance, particularly in southeast Asia. In this study, the complementarity of two-dimensional diffusion-ordered 1H nuclear magnetic resonance spectroscopy (2D DOSY 1H NMR) with direct analysis in real-time mass spectrometry (DART MS) and desorption electrospray ionization mass spectrometry (DESI MS) was assessed for pharmaceutical forensic purposes. Fourteen different artesunate tablets, representative of what can be purchased from informal sources in southeast Asia, were investigated with these techniques. The expected active pharmaceutical ingredient was detected in only five formulations via both nuclear magnetic resonance (NMR) and mass spectrometry (MS) methods. Common organic excipients such as sucrose, lactose, stearate, dextrin, and starch were also detected. The graphical representation of DOSY 1H NMR results proved very useful for establishing similarities among groups of samples, enabling counterfeit drug “chemotyping”. In addition to bulk- and surface-average analyses, spatially resolved information on the surface composition of counterfeit and genuine antimalarial formulations was obtained using DESI MS that was performed in the imaging mode, which enabled one to visualize the homogeneity of both genuine and counterfeit drug samples. Overall, this study suggests that 2D DOSY 1H NMR, combined with ambient MS, comprises a powerful suite of instrumental analysis methodologies for the integral characterization of counterfeit antimalarials.},\n\tnumber = {12},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nyadong, Leonard and Harris, Glenn A. and Balayssac, Stephane and Galhena, Asiri S. and Malet-Martino, Myriam and Martino, Robert and Parry, R. Mitchell and Wang, May Dongmei and Fernández, Facundo M. and Gilard, Veronique},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {4803--4812},\n}\n\n\n\n
\n
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\n During the past decade, there has been a marked increase in the number of reported cases involving counterfeit medicines in developing and developed countries. Particularly, artesunate-based antimalarial drugs have been targeted, because of their high demand and cost. Counterfeit antimalarials can cause death and can contribute to the growing problem of drug resistance, particularly in southeast Asia. In this study, the complementarity of two-dimensional diffusion-ordered 1H nuclear magnetic resonance spectroscopy (2D DOSY 1H NMR) with direct analysis in real-time mass spectrometry (DART MS) and desorption electrospray ionization mass spectrometry (DESI MS) was assessed for pharmaceutical forensic purposes. Fourteen different artesunate tablets, representative of what can be purchased from informal sources in southeast Asia, were investigated with these techniques. The expected active pharmaceutical ingredient was detected in only five formulations via both nuclear magnetic resonance (NMR) and mass spectrometry (MS) methods. Common organic excipients such as sucrose, lactose, stearate, dextrin, and starch were also detected. The graphical representation of DOSY 1H NMR results proved very useful for establishing similarities among groups of samples, enabling counterfeit drug “chemotyping”. In addition to bulk- and surface-average analyses, spatially resolved information on the surface composition of counterfeit and genuine antimalarial formulations was obtained using DESI MS that was performed in the imaging mode, which enabled one to visualize the homogeneity of both genuine and counterfeit drug samples. Overall, this study suggests that 2D DOSY 1H NMR, combined with ambient MS, comprises a powerful suite of instrumental analysis methodologies for the integral characterization of counterfeit antimalarials.\n
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\n \n\n \n \n \n \n \n Simple and Rapid Screening for Psychotropic Natural Products Using Direct Analysis in Real Time (DART)-TOFMS.\n \n \n \n\n\n \n Kawamura, M.; Kikura-Hanajiri, R.; and Goda, Y.\n\n\n \n\n\n\n Yakugaku Zasshi, 129: 719–725. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{kawamura_simple_2009,\n\ttitle = {Simple and {Rapid} {Screening} for {Psychotropic} {Natural} {Products} {Using} {Direct} {Analysis} in {Real} {Time} ({DART})-{TOFMS}},\n\tvolume = {129},\n\tdoi = {10.1248/yakushi.129.719},\n\tabstract = {Direct Analysis in Real Time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. To investigate the trend of non-controlled psychotropic plants of abuse in Japan, a rapid screening method, without sample preparation, was developed using DART-time of flight mass spectrometer (TOFMS) for plant products. The major psychotropic constituents of these products were determined using liquid chromatography-mass spectrometry (LC/MS). As a result of the DART-TOFMS analyses of 36 products, the protonated molecular ions [M+H]+, corresponding to 6 kinds of major hallucinogenic constituents (mescaline, salvinorin A, N,N-dimethyltryptamine, harmine, harmaline and lysergamide), were detected in 21 products. It was possible to estimate their accurate elemental compositions through exact mass measurements. These results were consistent with those of the LC/MS analyses and the contents of the 6 psychotropic constituents were in the range from 0.05 to 45 μg/mg. Typical controlled narcotic drugs, tetrahydrocannabinol, opioid alkaloids and psilocin were also directly detected in marijuana cigarette, opium gum and magic mushroom respectively. Although it is difficult to estimate the matrix effects caused by other plant ingredients, the DART-TOFMS could be useful as a simple and rapid screening method for the targeted psychotropic natural products, because it provides the molecular information of the target compounds without time-consuming extraction and pre-treatment steps.},\n\tjournal = {Yakugaku Zasshi},\n\tauthor = {Kawamura, M. and Kikura-Hanajiri, R. and Goda, Y.},\n\tyear = {2009},\n\tkeywords = {DART; AccuTOF, Direct Analysis in Real Time (DART); TOFMS; LC/MS; psychotropic plants},\n\tpages = {719--725},\n}\n\n\n\n
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\n Direct Analysis in Real Time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. To investigate the trend of non-controlled psychotropic plants of abuse in Japan, a rapid screening method, without sample preparation, was developed using DART-time of flight mass spectrometer (TOFMS) for plant products. The major psychotropic constituents of these products were determined using liquid chromatography-mass spectrometry (LC/MS). As a result of the DART-TOFMS analyses of 36 products, the protonated molecular ions [M+H]+, corresponding to 6 kinds of major hallucinogenic constituents (mescaline, salvinorin A, N,N-dimethyltryptamine, harmine, harmaline and lysergamide), were detected in 21 products. It was possible to estimate their accurate elemental compositions through exact mass measurements. These results were consistent with those of the LC/MS analyses and the contents of the 6 psychotropic constituents were in the range from 0.05 to 45 μg/mg. Typical controlled narcotic drugs, tetrahydrocannabinol, opioid alkaloids and psilocin were also directly detected in marijuana cigarette, opium gum and magic mushroom respectively. Although it is difficult to estimate the matrix effects caused by other plant ingredients, the DART-TOFMS could be useful as a simple and rapid screening method for the targeted psychotropic natural products, because it provides the molecular information of the target compounds without time-consuming extraction and pre-treatment steps.\n
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\n \n\n \n \n \n \n \n Desorption Electrospray/Metastable-Induced Ionization: A Flexible Multimode Ambient Ion Generation Technique.\n \n \n \n\n\n \n Nyadong, L.; Galhena, A. S.; and Fernandez, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 81(18): 7788–7794. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{nyadong_desorption_2009,\n\ttitle = {Desorption {Electrospray}/{Metastable}-{Induced} {Ionization}: {A} {Flexible} {Multimode} {Ambient} {Ion} {Generation} {Technique}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tdoi = {10.1021/ac9014098},\n\tabstract = {Presented here is a novel multimode ambient ion source termed desorption electrospray/metastable-induced ionization (DEMI), which integrates the benefits and circumvents some of the limitations of desorption electrospray ionization (DESI, polarity range limited) and direct analysis in real time (DART)-type metastable-induced chemical ionization (MICI, molecular weight limited). This ion source allows three unique operation modes, each with unique capabilities, including spray (DESI-like)-only, MICI-only, and DEMI (multimode), and can be thus operated in each of these modes allowing the detection of a wider range of analytes of interest. Ion source operation in the MICI-only mode is particularly well suited for the analysis of low-polarity, low-molecular weight compounds in powdered, solid, or dissolved samples. Operation of the ion source in spray-only mode shows superior performance for the analysis of high-molecular weight, high-polarity compounds over the MICI-only mode. Heating the nebulizer gas in spray-only mode allows improved analyte solubility in the spray solvent, enabling up to an order of magnitude improvement in sensitivity. Perhaps the most appealing mode of operation of the ion source is the DEMI mode which allows the simultaneous detection of compounds within a much broader range of polarities and molecular weights than each of the individual modes. For drug quality screening and counterfeit detection applications, operation in the DEMI mode results in the generation of both protonated and sodiated analytes. The observation of such complementary ionic species facilitates compound identification when investigating unknowns.},\n\tnumber = {18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nyadong, Leonard and Galhena, Asiri S. and Fernandez, Facundo M.},\n\tyear = {2009},\n\tkeywords = {Thermo LCQ},\n\tpages = {7788--7794},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Presented here is a novel multimode ambient ion source termed desorption electrospray/metastable-induced ionization (DEMI), which integrates the benefits and circumvents some of the limitations of desorption electrospray ionization (DESI, polarity range limited) and direct analysis in real time (DART)-type metastable-induced chemical ionization (MICI, molecular weight limited). This ion source allows three unique operation modes, each with unique capabilities, including spray (DESI-like)-only, MICI-only, and DEMI (multimode), and can be thus operated in each of these modes allowing the detection of a wider range of analytes of interest. Ion source operation in the MICI-only mode is particularly well suited for the analysis of low-polarity, low-molecular weight compounds in powdered, solid, or dissolved samples. Operation of the ion source in spray-only mode shows superior performance for the analysis of high-molecular weight, high-polarity compounds over the MICI-only mode. Heating the nebulizer gas in spray-only mode allows improved analyte solubility in the spray solvent, enabling up to an order of magnitude improvement in sensitivity. Perhaps the most appealing mode of operation of the ion source is the DEMI mode which allows the simultaneous detection of compounds within a much broader range of polarities and molecular weights than each of the individual modes. For drug quality screening and counterfeit detection applications, operation in the DEMI mode results in the generation of both protonated and sodiated analytes. The observation of such complementary ionic species facilitates compound identification when investigating unknowns.\n
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\n \n\n \n \n \n \n \n Elderberry flavonoids bind to and prevent H1N1 infection in vitro.\n \n \n \n\n\n \n Roschek Jr., B.; Fink, R. C.; McMichael, M. D.; Li, D.; and Alberte, R. S.\n\n\n \n\n\n\n Phytochemistry, 70(10): 1255–1262. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{roschek_jr._elderberry_2009,\n\ttitle = {Elderberry flavonoids bind to and prevent {H1N1} infection in vitro},\n\tvolume = {70},\n\tdoi = {10.1016/j.phytochem.2009.06.003},\n\tabstract = {A ionization technique in mass spectrometry called Direct Analysis in Real Time Mass Spectrometry (DART TOF-MS) coupled with a Direct Binding Assay was used to identify and characterize anti-viral components of an elderberry fruit (Sambucus nigra L.) extract without either derivatization or separation by standard chromatographic techniques. The elderberry extract inhibited Human Influenza A (H1N1) infection in vitro with an IC50 value of 252 ± 34 μg/mL. The Direct Binding Assay established that flavonoids from the elderberry extract bind to H1N1 virions and, when bound, block the ability of the viruses to infect host cells. Two compounds were identified, 5,7,3′,4′-tetra-O-methylquercetin (1) and 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chroman-3-yl-3,4,5-trihydroxycyclohexanecarboxylate (2), as H1N1-bound chemical species. Compound 1 and dihydromyricetin (3), the corresponding 3-hydroxyflavonone of 2, were synthesized and shown to inhibit H1N1 infection in vitro by binding to H1N1 virions, blocking host cell entry and/or recognition. Compound 1 gave an IC50 of 0.13 μg/mL (0.36 μM) for H1N1 infection inhibition, while dihydromyricetin (3) achieved an IC50 of 2.8 μg/mL (8.7 μM). The H1N1 inhibition activities of the elderberry flavonoids compare favorably to the known anti-influenza activities of Oseltamivir (Tamiflu®; 0.32 μM) and Amantadine (27 μM).},\n\tnumber = {10},\n\tjournal = {Phytochemistry},\n\tauthor = {Roschek Jr., Bill and Fink, Ryan C. and McMichael, Matthew D. and Li, Dan and Alberte, Randall S.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1255--1262},\n}\n\n\n\n
\n
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\n A ionization technique in mass spectrometry called Direct Analysis in Real Time Mass Spectrometry (DART TOF-MS) coupled with a Direct Binding Assay was used to identify and characterize anti-viral components of an elderberry fruit (Sambucus nigra L.) extract without either derivatization or separation by standard chromatographic techniques. The elderberry extract inhibited Human Influenza A (H1N1) infection in vitro with an IC50 value of 252 ± 34 μg/mL. The Direct Binding Assay established that flavonoids from the elderberry extract bind to H1N1 virions and, when bound, block the ability of the viruses to infect host cells. Two compounds were identified, 5,7,3′,4′-tetra-O-methylquercetin (1) and 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chroman-3-yl-3,4,5-trihydroxycyclohexanecarboxylate (2), as H1N1-bound chemical species. Compound 1 and dihydromyricetin (3), the corresponding 3-hydroxyflavonone of 2, were synthesized and shown to inhibit H1N1 infection in vitro by binding to H1N1 virions, blocking host cell entry and/or recognition. Compound 1 gave an IC50 of 0.13 μg/mL (0.36 μM) for H1N1 infection inhibition, while dihydromyricetin (3) achieved an IC50 of 2.8 μg/mL (8.7 μM). The H1N1 inhibition activities of the elderberry flavonoids compare favorably to the known anti-influenza activities of Oseltamivir (Tamiflu®; 0.32 μM) and Amantadine (27 μM).\n
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\n \n\n \n \n \n \n \n Eucalypt smoke and wildfires: Temperature dependent emissions of biogenic volatile organic compounds.\n \n \n \n\n\n \n Maleknia, S.; Bell, T.; and Adam, M.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 279(2-3): 126–133. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{maleknia_eucalypt_2009,\n\ttitle = {Eucalypt smoke and wildfires: {Temperature} dependent emissions of biogenic volatile organic compounds},\n\tvolume = {279},\n\tabstract = {Eucalypt contributions to biogenic sources of volatile organic compounds (VOCs) in Australia are estimated at teragram (Tg = 1012 g) amounts each year. Biogenic VOCs include plant-specific isoprenoids (isoprene and a range of terpenes) and other reactive organic compounds (i.e., acids, aldehydes and ketones). Atmospheric reactions of VOCs are numerous and many have significant environmental impact. Wildfires\nincrease both the amounts of VOCs released and the complexity of their reactions. Proton-transfer reaction mass spectrometry (PTR-MS), gas chromatography mass spectrometry (GCMS) and direct analysis in real time (DART) mass spectrometry were applied to analyze release of VOCs as a function of temperatures ranging from ambient to combustion. PTR-MS enabled trace level analysis of VOCs from a complex\nforest atmosphere and revealed the release of terpenes associated with leaf damage during a storm. Temperature profile studies revealed ion abundances (i.e., emissions of VOCs) could be correlated with boiling points and vapor pressures of specific compounds. PTR-MS analysis of VOCs resulting from heating fresh leaf (E. grandis) material suggested that emissions of protonated methanol (m/z 33) and protonated\nacetaldehyde (m/z 45) were greatest at {\\textasciitilde}60 ◦C while m/z 137 and 153 (associated with a series of terpenes) showed monotonic increases in ion abundance over a wide temperature range from ambient to 200 ◦C. GCMS analysis of fresh and senescent leaves of E. grandis showed that a series of VOCs (ethylvinylketone, diethylketone, 2-ethylfuran, hexanal and hexenals) are present only in fresh leaves while several terpenes ( and  pinenes, -phellandrene, eucalyptol, -terpinene) were common in both. DART analysis of fresh leaf and stem of E. sideroxylon identified tissue-specific VOCs (e.g., methanol and ethanol were more abundant in stems). PTR-MS combustion studies of senescent leaves (E. grandis) identified two distinct, temperature-dependent VOC compositions. Before the appearance of smoke, the composition of VOCs remained consistent and correlated well with various naturally occurring isoprenoids, as observed in temperature profile studies. Sampling of eucalypt smoke suggested ions (m/z 75, 85, 87, 99, 111 and 125) correlated with protonated mass of oxygenated aldehydes, ketones, furans and substituted benzenes, and were due to pyrolysis of polycarbohydrates (cellulose and lignin) that are common in many types of wood.},\n\tnumber = {2-3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Maleknia, S.D. and Bell, T.L. and Adam, M.A.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {126--133},\n}\n\n\n\n
\n
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\n Eucalypt contributions to biogenic sources of volatile organic compounds (VOCs) in Australia are estimated at teragram (Tg = 1012 g) amounts each year. Biogenic VOCs include plant-specific isoprenoids (isoprene and a range of terpenes) and other reactive organic compounds (i.e., acids, aldehydes and ketones). Atmospheric reactions of VOCs are numerous and many have significant environmental impact. Wildfires increase both the amounts of VOCs released and the complexity of their reactions. Proton-transfer reaction mass spectrometry (PTR-MS), gas chromatography mass spectrometry (GCMS) and direct analysis in real time (DART) mass spectrometry were applied to analyze release of VOCs as a function of temperatures ranging from ambient to combustion. PTR-MS enabled trace level analysis of VOCs from a complex forest atmosphere and revealed the release of terpenes associated with leaf damage during a storm. Temperature profile studies revealed ion abundances (i.e., emissions of VOCs) could be correlated with boiling points and vapor pressures of specific compounds. PTR-MS analysis of VOCs resulting from heating fresh leaf (E. grandis) material suggested that emissions of protonated methanol (m/z 33) and protonated acetaldehyde (m/z 45) were greatest at ~60 ◦C while m/z 137 and 153 (associated with a series of terpenes) showed monotonic increases in ion abundance over a wide temperature range from ambient to 200 ◦C. GCMS analysis of fresh and senescent leaves of E. grandis showed that a series of VOCs (ethylvinylketone, diethylketone, 2-ethylfuran, hexanal and hexenals) are present only in fresh leaves while several terpenes ( and pinenes, -phellandrene, eucalyptol, -terpinene) were common in both. DART analysis of fresh leaf and stem of E. sideroxylon identified tissue-specific VOCs (e.g., methanol and ethanol were more abundant in stems). PTR-MS combustion studies of senescent leaves (E. grandis) identified two distinct, temperature-dependent VOC compositions. Before the appearance of smoke, the composition of VOCs remained consistent and correlated well with various naturally occurring isoprenoids, as observed in temperature profile studies. Sampling of eucalypt smoke suggested ions (m/z 75, 85, 87, 99, 111 and 125) correlated with protonated mass of oxygenated aldehydes, ketones, furans and substituted benzenes, and were due to pyrolysis of polycarbohydrates (cellulose and lignin) that are common in many types of wood.\n
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\n \n\n \n \n \n \n \n Detection of Peroxide and Tetrazine Explosives on Surfaces by Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; Durst, H. D.; Connell, T. R.; and Nilles, J. M.\n\n\n \n\n\n\n American Laboratory Online Edition, 2(2): 1–5. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramee_detection_2009,\n\ttitle = {Detection of {Peroxide} and {Tetrazine} {Explosives} on {Surfaces} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {2},\n\tnumber = {2},\n\tjournal = {American Laboratory Online Edition},\n\tauthor = {Laramée, James A. and Durst, H. Dupont and Connell, Theresa R. and Nilles, J. Michael},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1--5},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \"Soft\" or \"hard\" ionisation? Investigation of metastable gas temperature effect on direct analysis in real-time analysis of Voriconazole.\n \n \n \n\n\n \n Lapthorn, C.; and Pullen, F.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 15(5): 587–593. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{lapthorn_soft_2009,\n\ttitle = {"{Soft}" or "hard" ionisation? {Investigation} of metastable gas temperature effect on direct analysis in real-time analysis of {Voriconazole}},\n\tvolume = {15},\n\tissn = {1469-0667},\n\tdoi = {10.1255/ejms.1022},\n\tabstract = {The performance of the direct analysis in real-time (DART) technique was evaluated across a range of metastable gas temperatures for a pharmaceutical compound, Voriconazole, in order to investigate the effect of metastable gas temperature on molecular ion intensity and fragmentation. The DART source has been used to analyse a range of analytes and from a range of matrices including drugs in solid tablet form and preparations, active ingredients in ointment, naturally occurring plant alkaloids, flavours and fragrances, from thin layer chromatography (TLC) plates, melting point tubes and biological matrices including hair, urine and blood. The advantages of this technique include rapid analysis time (as little as 5 s), a reduction in sample preparation requirements, elimination of mobile phase requirement and analysis of samples not typically amenable to atmospheric pressure ionisation (API) techniques. This technology has therefore been proposed as an everyday tool for identification of components in crude organic reaction mixtures.},\n\tnumber = {5},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Lapthorn, Cris and Pullen, Frank},\n\tyear = {2009},\n\tkeywords = {Waters Quad},\n\tpages = {587--593},\n}\n\n\n\n
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\n The performance of the direct analysis in real-time (DART) technique was evaluated across a range of metastable gas temperatures for a pharmaceutical compound, Voriconazole, in order to investigate the effect of metastable gas temperature on molecular ion intensity and fragmentation. The DART source has been used to analyse a range of analytes and from a range of matrices including drugs in solid tablet form and preparations, active ingredients in ointment, naturally occurring plant alkaloids, flavours and fragrances, from thin layer chromatography (TLC) plates, melting point tubes and biological matrices including hair, urine and blood. The advantages of this technique include rapid analysis time (as little as 5 s), a reduction in sample preparation requirements, elimination of mobile phase requirement and analysis of samples not typically amenable to atmospheric pressure ionisation (API) techniques. This technology has therefore been proposed as an everyday tool for identification of components in crude organic reaction mixtures.\n
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\n \n\n \n \n \n \n \n Elementary Guide to Ionization Methods for Mass Spectrometry− Introduction of Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Konuma, K.\n\n\n \n\n\n\n Bunseki, 9: 464–467. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{konuma_elementary_2009,\n\ttitle = {Elementary {Guide} to {Ionization} {Methods} for {Mass} {Spectrometry}− {Introduction} of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {9},\n\tjournal = {Bunseki},\n\tauthor = {Konuma, K.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {464--467},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Pro-Inflammatory Enzymes, Cyclooxygenase 1, Cyclooxygenase 2, and 5-Lipooxygenase, Inhibited by Stabilized Rice Bran Extracts.\n \n \n \n\n\n \n Roschek Jr., B.; Fink, R. C.; Li, D.; McMichael, M.; Tower, C. M.; Smith, R. D.; and Alberte, R. S.\n\n\n \n\n\n\n Journal of Medicinal Food, 12(3): 615–623. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{roschek_jr._pro-inflammatory_2009,\n\ttitle = {Pro-{Inflammatory} {Enzymes}, {Cyclooxygenase} 1, {Cyclooxygenase} 2, and 5-{Lipooxygenase}, {Inhibited} by {Stabilized} {Rice} {Bran} {Extracts}},\n\tvolume = {12},\n\tdoi = {10.1089=jmf.2008.0133},\n\tabstract = {Rice bran, the outer bran and germ of the kernel and a by-product of rice milling, is rich in phytonutrients but\nhas been underutilized because of lipid content instability. New methods for the processing of rice bran have yielded a\nstabilized form that is increasingly used in foods and dietary supplements. Recent studies have documented a role for\nstabilized rice bran (SRB) in treating diabetes and arthritis, although little is known of the bioactive compounds that impart\nthese health benefits. Here we characterize the chemical composition of three extracts of SRB and identify the functional\nbioactives contributing to the inhibitory properties against three key pro-inflammatory enzymes (cyclooxygenase [COX] 1,\nCOX2, and 5-lipoxygenase [5-LOX]) that control the inflammatory cascade involved in impaired joint health, pain, and\narthritis. One extract (SRB-AI) demonstrated significant COX1 and COX2 inhibitory activities with 50\\% inhibitory concentration\n(IC50) values for COX1 and COX2 of 305 and 29 mg=mL, respectively, but no 5-LOX inhibition. The second\nextract (SRB-AII) inhibited COX1, COX2, and 5-LOX with IC50 values of 310, 19, and 396 mg=mL, respectively. The third\nextract (SRB-AIII), a blend of SRB-AI and SRB-AIII, inhibited COX1, COX2, and 5-LOX with respective IC50 values of 48,\n11, and 197 mg=mL. Analysis of the extracts by direct analysis in real time time of flight-mass spectrometry revealed that\nSRB-AI, SRB-AII, and SRB-AIII contain over 620, 770, and 810 compounds, respectively. Of these, 17 were identified as key\nbioactives for COX and=or LOX inhibition. These SRB extracts have applications for functional foods and dietary supplements\nfor control of inflammation and joint health.},\n\tnumber = {3},\n\tjournal = {Journal of Medicinal Food},\n\tauthor = {Roschek Jr., Bill and Fink, Ryan C. and Li, Dan and McMichael, Matthew and Tower, Christine M. and Smith, Robert D. and Alberte, Randall S.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {615--623},\n}\n\n\n\n
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\n Rice bran, the outer bran and germ of the kernel and a by-product of rice milling, is rich in phytonutrients but has been underutilized because of lipid content instability. New methods for the processing of rice bran have yielded a stabilized form that is increasingly used in foods and dietary supplements. Recent studies have documented a role for stabilized rice bran (SRB) in treating diabetes and arthritis, although little is known of the bioactive compounds that impart these health benefits. Here we characterize the chemical composition of three extracts of SRB and identify the functional bioactives contributing to the inhibitory properties against three key pro-inflammatory enzymes (cyclooxygenase [COX] 1, COX2, and 5-lipoxygenase [5-LOX]) that control the inflammatory cascade involved in impaired joint health, pain, and arthritis. One extract (SRB-AI) demonstrated significant COX1 and COX2 inhibitory activities with 50% inhibitory concentration (IC50) values for COX1 and COX2 of 305 and 29 mg=mL, respectively, but no 5-LOX inhibition. The second extract (SRB-AII) inhibited COX1, COX2, and 5-LOX with IC50 values of 310, 19, and 396 mg=mL, respectively. The third extract (SRB-AIII), a blend of SRB-AI and SRB-AIII, inhibited COX1, COX2, and 5-LOX with respective IC50 values of 48, 11, and 197 mg=mL. Analysis of the extracts by direct analysis in real time time of flight-mass spectrometry revealed that SRB-AI, SRB-AII, and SRB-AIII contain over 620, 770, and 810 compounds, respectively. Of these, 17 were identified as key bioactives for COX and=or LOX inhibition. These SRB extracts have applications for functional foods and dietary supplements for control of inflammation and joint health.\n
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\n \n\n \n \n \n \n \n \n An Improved Protocol for the Analysis of Alcohols by Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Nilles, J.; and Connell, T.\n\n\n \n\n\n\n American Laboratory, 41(7): 25–27. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{laramee_improved_2009,\n\ttitle = {An {Improved} {Protocol} for the {Analysis} of {Alcohols} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {41},\n\turl = {http://www.americanlaboratory.com/914-Application-Notes/673-An-Improved-Protocol-for-the-Analysis-of-Alcohols-by-Direct-Analysis-in-Real-Time-Mass-Spectrometry/},\n\tabstract = {It was previously reported1 that when Direct Analysis in Real Time (DART™) (JEOL USA, Inc., Peabody, MA) mass spectrometry was applied to the analysis of very pure alcohols, their mass spectra were unexpectedly complicated. The plethora of peaks was found to be a DART-induced artifact that resulted from the open-air nature of the technique. This problem was solved by converting the alcohol into its corresponding carbamate via an N-hydro-C-alkoxy-addition reaction (reaction 1) with phenyl isocyanate:\n\nROH + C6H5NCO → RO−C(O)NHC6H5 (1)\n\nAlthough this reaction conveniently allows alcohols to be DART’ed, the reaction time ranges from 1 to 16 hr. This obviously led the authors to test the hypothesis that shorter reaction times can be achieved by using activated phenyl isocyanates with proper ring substitution. It is now timely to report these results.},\n\tnumber = {7},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D. and Nilles, J.M. and Connell, T.R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {25--27},\n}\n\n\n\n
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\n It was previously reported1 that when Direct Analysis in Real Time (DART™) (JEOL USA, Inc., Peabody, MA) mass spectrometry was applied to the analysis of very pure alcohols, their mass spectra were unexpectedly complicated. The plethora of peaks was found to be a DART-induced artifact that resulted from the open-air nature of the technique. This problem was solved by converting the alcohol into its corresponding carbamate via an N-hydro-C-alkoxy-addition reaction (reaction 1) with phenyl isocyanate: ROH + C6H5NCO → RO−C(O)NHC6H5 (1) Although this reaction conveniently allows alcohols to be DART’ed, the reaction time ranges from 1 to 16 hr. This obviously led the authors to test the hypothesis that shorter reaction times can be achieved by using activated phenyl isocyanates with proper ring substitution. It is now timely to report these results.\n
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\n \n\n \n \n \n \n \n Direct analysis of curcumin in turmeric by DART-MS.\n \n \n \n\n\n \n Kim, H. J.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,published online. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_direct_2009,\n\ttitle = {Direct analysis of curcumin in turmeric by {DART}-{MS}},\n\tissn = {1099-1565},\n\tabstract = {Introduction\nThe new ion source technique, direct analysis in real time (DART) atmospheric pressure ionisation, allows high resolution mass measurements of gas, liquid and solid samples. As DART-MS produces [M + H]+ molecular ions of most compounds, relatively simple and clear mass spectra are obtained even of multi-component samples. In order to take advantage of the capacity of DART-MS for the real time analysis of individual compounds in natural raw materials, a pilot study was performed using the well-known antioxidant botanical drug, turmeric.\n\nObjective\nTo establish the analysis methods of curcumin and its derivatives from various types of samples with DART-MS and compare the efficiency of the method with traditional HPLC method.\n\nResults\nDifferent curcuminoids were successfully detected directly from the raw particles of Curcuma longa. When a turmeric extract was separated on a TLC plate, each band produced molecular ion peaks corresponding to curcumin, demethoxycurcumin and bisdemethoxycurcumin. Molecular ions of curcuminoids in turmeric-containing beverages and curry powder were also efficiently detected. In addition to high efficiency of qualitative analysis, the evaluation of its linearity showed that DART-MS can be applied for semi-quantitative determinations of curcumin over a large range (5-100 µg/mL).\n\nConclusion\nA simple chemical profiling and semi-quantitative method for natural products using DART-MS might be applied to diverse field related quality control of medicinal plants or food ingredients.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Jang, Young Pyo},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {published online},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Introduction The new ion source technique, direct analysis in real time (DART) atmospheric pressure ionisation, allows high resolution mass measurements of gas, liquid and solid samples. As DART-MS produces [M + H]+ molecular ions of most compounds, relatively simple and clear mass spectra are obtained even of multi-component samples. In order to take advantage of the capacity of DART-MS for the real time analysis of individual compounds in natural raw materials, a pilot study was performed using the well-known antioxidant botanical drug, turmeric. Objective To establish the analysis methods of curcumin and its derivatives from various types of samples with DART-MS and compare the efficiency of the method with traditional HPLC method. Results Different curcuminoids were successfully detected directly from the raw particles of Curcuma longa. When a turmeric extract was separated on a TLC plate, each band produced molecular ion peaks corresponding to curcumin, demethoxycurcumin and bisdemethoxycurcumin. Molecular ions of curcuminoids in turmeric-containing beverages and curry powder were also efficiently detected. In addition to high efficiency of qualitative analysis, the evaluation of its linearity showed that DART-MS can be applied for semi-quantitative determinations of curcumin over a large range (5-100 µg/mL). Conclusion A simple chemical profiling and semi-quantitative method for natural products using DART-MS might be applied to diverse field related quality control of medicinal plants or food ingredients.\n
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\n \n\n \n \n \n \n \n Ambient Mass Spectrometric Detection of Organometallic Compounds Using Direct Analysis in Real Time.\n \n \n \n\n\n \n Borges, D.; Sturgeon, R.; Welz, B.; Curtius, A.; and Mester, Z.\n\n\n \n\n\n\n Analytical Chemistry, 81(23): 9834–9839. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{borges_ambient_2009,\n\ttitle = {Ambient {Mass} {Spectrometric} {Detection} of {Organometallic} {Compounds} {Using} {Direct} {Analysis} in {Real} {Time}},\n\tvolume = {81},\n\tdoi = {10.1021/ac901778n},\n\tabstract = {The present work describes the mass spectrometric detection of organometallic compounds following their atmospheric pressure ionization using a commercial direct analysis in real time (DART) ion source. Several organometallic compounds of As, Fe, Hg, Pb, Se, and Sn were examined, and their corresponding mass spectra as well as induced fragmentation patterns were recorded. Gas phase sampling of the pure organometallic compounds or their solutions prepared in toluene generated temporally stable signals. For the majority of the compounds, the molecular ion or protonated molecule was detected; noticeable exceptions are the tetra-substituted compounds for which their less-substituted species dominated. The organometallic species were used as model compounds for a systematic investigation of the impact of operating parameters of the DART source, including gas temperature and electrode voltages. In general, results have shown that powering the electrodes designed to remove ions from the DART gas stream results in a reduction in signal intensity for most of the compounds investigated, suggesting that charged species from the plasma play an important role in the ionization process of the test analytes.},\n\tnumber = {23},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Borges, D.L.G. and Sturgeon, R.E. and Welz, B. and Curtius, A.J. and Mester, Z.},\n\tyear = {2009},\n\tkeywords = {Thermo LTQ},\n\tpages = {9834--9839},\n}\n\n\n\n
\n
\n\n\n
\n The present work describes the mass spectrometric detection of organometallic compounds following their atmospheric pressure ionization using a commercial direct analysis in real time (DART) ion source. Several organometallic compounds of As, Fe, Hg, Pb, Se, and Sn were examined, and their corresponding mass spectra as well as induced fragmentation patterns were recorded. Gas phase sampling of the pure organometallic compounds or their solutions prepared in toluene generated temporally stable signals. For the majority of the compounds, the molecular ion or protonated molecule was detected; noticeable exceptions are the tetra-substituted compounds for which their less-substituted species dominated. The organometallic species were used as model compounds for a systematic investigation of the impact of operating parameters of the DART source, including gas temperature and electrode voltages. In general, results have shown that powering the electrodes designed to remove ions from the DART gas stream results in a reduction in signal intensity for most of the compounds investigated, suggesting that charged species from the plasma play an important role in the ionization process of the test analytes.\n
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\n\n\n
\n \n\n \n \n \n \n \n Rapid Semi-Quantitative Surface Mapping of Airborne-Dispersed Chemicals Using Mass Spectrometry.\n \n \n \n\n\n \n Grange, A.\n\n\n \n\n\n\n Environmental Forensics, 10(3): 183–195. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_rapid_2009,\n\ttitle = {Rapid {Semi}-{Quantitative} {Surface} {Mapping} of {Airborne}-{Dispersed} {Chemicals} {Using} {Mass} {Spectrometry}},\n\tvolume = {10},\n\tabstract = {Chemicals can be dispersed accidentally, deliberately, or by weather-related events. Rapid mapping of contaminant distributions is necessary to assess exposure risks and to plan remediation, when needed. Ten pulverized aspirin or NoDozTM tablets containing caffeine were dispersed across a concrete driveway using the exhaust port of a shop vacuum cleaner. Water-soaked, cotton swabs were used to collect wipe samples from 100 cm2 areas within a 7 x 12 grid pattern to map the caffeine distribution. An autosampler/Direct Analysis in Real Time (DARTTM)/time-of-flight mass spectrometer was used to acquire ion chromatograms for the [M+H]+ semi-quantitation ion (m/z 195). Prior to analysis, unheated, non-energized helium gas was blown across the swabs to remove debris that could plug the cone orifice. Carry over was mitigated by interspersing wipe sample swabs with water-soaked swabs to provide hot water vapor to clean the region around the cone orifice into the mass spectrometer between sample swabs. Carry over was further reduced relative to the ion abundances from analyte peaks by acquiring data a second time. Remaining carry over was seen as ion abundance plateaus in ion chromatograms before and after each analyte peak. The higher plateau was treated as the baseline for each analyte peak by a macro procedure written in Lotus 123TM. A second macro procedure plotted multi-color, semi-quantitation maps for high, moderate, low, and non-detect levels of caffeine.},\n\tnumber = {3},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, A.H.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {183--195},\n}\n\n\n\n
\n
\n\n\n
\n Chemicals can be dispersed accidentally, deliberately, or by weather-related events. Rapid mapping of contaminant distributions is necessary to assess exposure risks and to plan remediation, when needed. Ten pulverized aspirin or NoDozTM tablets containing caffeine were dispersed across a concrete driveway using the exhaust port of a shop vacuum cleaner. Water-soaked, cotton swabs were used to collect wipe samples from 100 cm2 areas within a 7 x 12 grid pattern to map the caffeine distribution. An autosampler/Direct Analysis in Real Time (DARTTM)/time-of-flight mass spectrometer was used to acquire ion chromatograms for the [M+H]+ semi-quantitation ion (m/z 195). Prior to analysis, unheated, non-energized helium gas was blown across the swabs to remove debris that could plug the cone orifice. Carry over was mitigated by interspersing wipe sample swabs with water-soaked swabs to provide hot water vapor to clean the region around the cone orifice into the mass spectrometer between sample swabs. Carry over was further reduced relative to the ion abundances from analyte peaks by acquiring data a second time. Remaining carry over was seen as ion abundance plateaus in ion chromatograms before and after each analyte peak. The higher plateau was treated as the baseline for each analyte peak by a macro procedure written in Lotus 123TM. A second macro procedure plotted multi-color, semi-quantitation maps for high, moderate, low, and non-detect levels of caffeine.\n
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\n \n\n \n \n \n \n \n The Observation of Molecular Ions and Analysis of Nonpolar Compounds with the Direct Analysis in Real Time Ion Source.\n \n \n \n\n\n \n Cody, R. B.\n\n\n \n\n\n\n Analytical Chemistry, 81(3): 1101–1107. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cody_observation_2009,\n\ttitle = {The {Observation} of {Molecular} {Ions} and {Analysis} of {Nonpolar} {Compounds} with the {Direct} {Analysis} in {Real} {Time} {Ion} {Source}},\n\tvolume = {81},\n\tdoi = {10.1021/ac8022108},\n\tabstract = {Positive ions in the direct analysis in real time (DART) ion source are commonly formed by proton transfer. However, the DART source is similar to atmospheric pressure photoionization (APPI) in that it can produce molecular ions as well as protonated molecules, although the two sources differ in the initial ion formation process. This report discusses some of the factors that influence molecular ion formation in DART and shows how the DART source can be used to analyze “difficult” or nonpolar compounds such as alkanes and cholesterol. Trace reagent ions including NO+ and O2+· formed from atmospheric gases are shown to play important roles in DART ionization. The use of the DART source as a gas chromatography/mass spectrometry (GC/MS) interface is demonstrated to show the difference between mass spectra obtained using conditions that favor proton transfer and those that favor molecular ion formation.},\n\tnumber = {3},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Cody, R. B.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1101--1107},\n}\n\n\n\n
\n
\n\n\n
\n Positive ions in the direct analysis in real time (DART) ion source are commonly formed by proton transfer. However, the DART source is similar to atmospheric pressure photoionization (APPI) in that it can produce molecular ions as well as protonated molecules, although the two sources differ in the initial ion formation process. This report discusses some of the factors that influence molecular ion formation in DART and shows how the DART source can be used to analyze “difficult” or nonpolar compounds such as alkanes and cholesterol. Trace reagent ions including NO+ and O2+· formed from atmospheric gases are shown to play important roles in DART ionization. The use of the DART source as a gas chromatography/mass spectrometry (GC/MS) interface is demonstrated to show the difference between mass spectra obtained using conditions that favor proton transfer and those that favor molecular ion formation.\n
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\n \n\n \n \n \n \n \n Determination of the Presence or Absence of Sulfur Materials in Drywall Using Direct Analysis in Real Time in Conjunction with an Accurate-Mass Time-of-Flight Mass Spectrometer.\n \n \n \n\n\n \n Curtis, M. E.; Jones, P. R.; Sparkman, O. D.; and Cody, R. B.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(11): 2082–2086. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{curtis_determination_2009,\n\ttitle = {Determination of the {Presence} or {Absence} of {Sulfur} {Materials} in {Drywall} {Using} {Direct} {Analysis} in {Real} {Time} in {Conjunction} with an {Accurate}-{Mass} {Time}-of-{Flight} {Mass} {Spectrometer}},\n\tvolume = {20},\n\tissn = {1044-0305},\n\tabstract = {Based on the concern about the presence of sulfur materials being in drywall (wallboard), a quick and reliable test to confirm the presence or absence of these materials using direct analysis in real time (DART) mass spectrometry in conjunction with an accurate-mass time-of-flight (TOF) mass spectrometer has been developed and is described here.},\n\tnumber = {11},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Curtis, Matthew E. and Jones, Patrick R. and Sparkman, O. David and Cody, Robert B.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {2082--2086},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Based on the concern about the presence of sulfur materials being in drywall (wallboard), a quick and reliable test to confirm the presence or absence of these materials using direct analysis in real time (DART) mass spectrometry in conjunction with an accurate-mass time-of-flight (TOF) mass spectrometer has been developed and is described here.\n
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\n \n\n \n \n \n \n \n Simulations and Experimental Investigation of Atmospheric Transport in an Ambient Metastable-Induced Chemical Ionization Source.\n \n \n \n\n\n \n Harris, G. A.; and Fernandez, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 81(1): 322–329. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{harris_simulations_2009,\n\ttitle = {Simulations and {Experimental} {Investigation} of {Atmospheric} {Transport} in an {Ambient} {Metastable}-{Induced} {Chemical} {Ionization} {Source}},\n\tvolume = {81},\n\tdoi = {10.1021/ac802117u},\n\tabstract = {Since its inception, Direct Analysis in Real Time (DART) has seen utility in a wide range of applications including chemical reaction monitoring, pharmaceutical screening, and forensic mass spectrometry. Despite the growing interest in DART applications, there has been limited research into the fundamental physiochemical phenomena affecting sampling, ionization, and atmospheric ion transport. Presented here are the first experimentally validated finite element method simulations of an ambient DART-type metastable-induced chemical ionization source. It was found that complex coupled fluid dynamics, heat transfer, and electrostatic phenomena within the sampling region determine the variability in ion transmission efficiencies affecting the overall sensitivity of analysis. Particle tracing plots of a circular acetaminophen tablet placed in various positions and orientations yielded insight into optimal sample placement and evidence for sweet spots conducive to better ion transport. Experiments in a wide range of electric field conditions were performed, finding that under optimum sample placement, sensitivity could be improved by as much as 128\\% if ion mobility contributions were minimized.},\n\tnumber = {1},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Harris, Glenn A. and Fernandez, Facundo M.},\n\tyear = {2009},\n\tkeywords = {simulation},\n\tpages = {322--329},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Since its inception, Direct Analysis in Real Time (DART) has seen utility in a wide range of applications including chemical reaction monitoring, pharmaceutical screening, and forensic mass spectrometry. Despite the growing interest in DART applications, there has been limited research into the fundamental physiochemical phenomena affecting sampling, ionization, and atmospheric ion transport. Presented here are the first experimentally validated finite element method simulations of an ambient DART-type metastable-induced chemical ionization source. It was found that complex coupled fluid dynamics, heat transfer, and electrostatic phenomena within the sampling region determine the variability in ion transmission efficiencies affecting the overall sensitivity of analysis. Particle tracing plots of a circular acetaminophen tablet placed in various positions and orientations yielded insight into optimal sample placement and evidence for sweet spots conducive to better ion transport. Experiments in a wide range of electric field conditions were performed, finding that under optimum sample placement, sensitivity could be improved by as much as 128% if ion mobility contributions were minimized.\n
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\n \n\n \n \n \n \n \n \n Assessing direct analysis in real-time-mass spectrometry (DART-MS) for the rapid identification of additives in food packaging.\n \n \n \n \n\n\n \n Ackerman, L.; Noonan, G.; and Begley, T.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 26(12): 1611–1618. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AssessingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{ackerman_assessing_2009,\n\ttitle = {Assessing direct analysis in real-time-mass spectrometry ({DART}-{MS}) for the rapid identification of additives in food packaging},\n\tvolume = {26},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/02652030903232753},\n\tdoi = {10.1080/02652030903232753},\n\tabstract = {The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.\nThe ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.},\n\tnumber = {12},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Ackerman, L.K. and Noonan, G.O. and Begley, T.H.},\n\tyear = {2009},\n\tkeywords = {in-house validation; screening assays; food-contact materials; packaging additives; paper; plastics; Waters Triple Quad},\n\tpages = {1611--1618},\n}\n\n\n\n
\n
\n\n\n
\n The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement. The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.\n
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\n \n\n \n \n \n \n \n \n Validation of the Direct Analysis in Real Time Source for Use in Forensic Drug Screening.\n \n \n \n \n\n\n \n Steiner, R. R.; and Larson, R. L.\n\n\n \n\n\n\n Journal of Forensic Sciences, 54(3): 617–622. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{steiner_validation_2009,\n\ttitle = {Validation of the {Direct} {Analysis} in {Real} {Time} {Source} for {Use} in {Forensic} {Drug} {Screening}},\n\tvolume = {54},\n\tissn = {00221198, 15564029},\n\turl = {http://doi.wiley.com/10.1111/j.1556-4029.2009.01006.x},\n\tdoi = {10.1111/j.1556-4029.2009.01006.x},\n\tabstract = {The Direct Analysis in Real Time (DART) ion source is a relatively new mass spectrometry technique that is seeing widespread use in chemical analyses world-wide. DART studies include such diverse topics as analysis of flavors and fragrances, melamine in contaminated dog food, differentiation of writing inks, characterization of solid counterfeit drugs, and as a detector for planar chromatography. Validation of this new technique for the rapid screening of forensic evidence for drugs of abuse, utilizing the DART source coupled to an accurate mass time-of-flight mass spectrometer, was conducted. The study consisted of the determination of the lower limit of detection for the method, determination of selectivity and a comparison of this technique to established analytical protocols. Examples of DART spectra are included. The results of this study have allowed the Virginia Department of Forensic Science to incorporate this new technique into their analysis scheme for the screening of solid dosage forms of drugs of abuse.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Steiner, Robert R. and Larson, Robyn L.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {617--622},\n}\n\n\n\n
\n
\n\n\n
\n The Direct Analysis in Real Time (DART) ion source is a relatively new mass spectrometry technique that is seeing widespread use in chemical analyses world-wide. DART studies include such diverse topics as analysis of flavors and fragrances, melamine in contaminated dog food, differentiation of writing inks, characterization of solid counterfeit drugs, and as a detector for planar chromatography. Validation of this new technique for the rapid screening of forensic evidence for drugs of abuse, utilizing the DART source coupled to an accurate mass time-of-flight mass spectrometer, was conducted. The study consisted of the determination of the lower limit of detection for the method, determination of selectivity and a comparison of this technique to established analytical protocols. Examples of DART spectra are included. The results of this study have allowed the Virginia Department of Forensic Science to incorporate this new technique into their analysis scheme for the screening of solid dosage forms of drugs of abuse.\n
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\n \n\n \n \n \n \n \n \n Identification of active ingredients in dietary supplements using non-destructive mass spectrometry and liquid chromatography–mass spectrometry.\n \n \n \n \n\n\n \n Saka, K.; Konuma, K.; Asai, S.; Unuma, K.; Nakajima, M.; and Yoshida, K.\n\n\n \n\n\n\n Forensic Science International, 191(1-3): e5–e10. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{saka_identification_2009,\n\ttitle = {Identification of active ingredients in dietary supplements using non-destructive mass spectrometry and liquid chromatography–mass spectrometry},\n\tvolume = {191},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073809002898},\n\tdoi = {10.1016/j.forsciint.2009.07.007},\n\tabstract = {A mid-forties woman purchased seven different dietary supplements from Thailand on the internet and subsequently died after taking these supplements. Since there were no ingredient labels on the supplements, we identified the active ingredients using direct analysis in real time–mass spectrometry (DART–MS), direct exposure probe–MS (DEP–MS), and liquid chromatography–MS (LC–MS). DART–MS gives exact molecular weights and DEP–MS shows the fragmentation of a molecule by electron ionization. Analyses using these two instruments are rapid and do not require extraction of the sample. The compounds predicted by DART–MS and DEP–MS were confirmed by LC–MS and the active ingredients of the seven dietary supplements were identified.},\n\tnumber = {1-3},\n\turldate = {2012-04-18},\n\tjournal = {Forensic Science International},\n\tauthor = {Saka, Kanju and Konuma, Kiyotaka and Asai, Shigehiro and Unuma, Kana and Nakajima, Makoto and Yoshida, Ken-ichi},\n\tyear = {2009},\n\tkeywords = {Dietary supplements; Direct analysis in real time; Direct exposure probe; Liquid chromatography–mass spectrometry; AccuTOF},\n\tpages = {e5--e10},\n}\n\n\n\n
\n
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\n A mid-forties woman purchased seven different dietary supplements from Thailand on the internet and subsequently died after taking these supplements. Since there were no ingredient labels on the supplements, we identified the active ingredients using direct analysis in real time–mass spectrometry (DART–MS), direct exposure probe–MS (DEP–MS), and liquid chromatography–MS (LC–MS). DART–MS gives exact molecular weights and DEP–MS shows the fragmentation of a molecule by electron ionization. Analyses using these two instruments are rapid and do not require extraction of the sample. The compounds predicted by DART–MS and DEP–MS were confirmed by LC–MS and the active ingredients of the seven dietary supplements were identified.\n
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\n \n\n \n \n \n \n \n \n Quantitation of Chemical Warfare Agents Using the Direct Analysis in Real Time (DART) Technique.\n \n \n \n \n\n\n \n Nilles, J. M.; Connell, T. R.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 81(16): 6744–6749. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nilles_quantitation_2009,\n\ttitle = {Quantitation of {Chemical} {Warfare} {Agents} {Using} the {Direct} {Analysis} in {Real} {Time} ({DART}) {Technique}},\n\tvolume = {81},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac900682f},\n\tdoi = {10.1021/ac900682f},\n\tabstract = {Direct analysis in real time (DART) is an ion source that permits rapid mass spectrometric detection of gases, liquids, and solids in open air under ambient conditions. It is a unique technology in the field of chemical weapons detectors in that it does not require a vapor pressure, does not require sample preparation, and is nondestructive to the original sample. While the DART technique has had success as a first line instrument of detection, there have been lingering doubts over the technique’s quantitative reliability and reproducibility. Here, we demonstrate its capability to produce linear calibration curves (R2 = 0.99 or better) for the nerve agents GA, GB, and VX as well as the blister agent HD. Independently prepared check standards measured against these curves typically have recovery errors less than 3\\%. We show the DART instrument response to be linear over roughly 3 orders of magnitude. Furthermore, this study shows that averaging as few as three measurements for each data point is sufficient to produce high quality calibration curves, thus reducing data collection time and providing quicker results.},\n\tnumber = {16},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nilles, J. Michael and Connell, Theresa R. and Durst, H. Dupont},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {6744--6749},\n}\n\n\n\n
\n
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\n Direct analysis in real time (DART) is an ion source that permits rapid mass spectrometric detection of gases, liquids, and solids in open air under ambient conditions. It is a unique technology in the field of chemical weapons detectors in that it does not require a vapor pressure, does not require sample preparation, and is nondestructive to the original sample. While the DART technique has had success as a first line instrument of detection, there have been lingering doubts over the technique’s quantitative reliability and reproducibility. Here, we demonstrate its capability to produce linear calibration curves (R2 = 0.99 or better) for the nerve agents GA, GB, and VX as well as the blister agent HD. Independently prepared check standards measured against these curves typically have recovery errors less than 3%. We show the DART instrument response to be linear over roughly 3 orders of magnitude. Furthermore, this study shows that averaging as few as three measurements for each data point is sufficient to produce high quality calibration curves, thus reducing data collection time and providing quicker results.\n
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\n \n\n \n \n \n \n \n \n Bioanalysis without Sample Cleanup or Chromatography: The Evaluation and Initial Implementation of Direct Analysis in Real Time Ionization Mass Spectrometry for the Quantification of Drugs in Biological Matrixes.\n \n \n \n \n\n\n \n Yu, S.; Crawford, E.; Tice, J.; Musselman, B.; and Wu, J.\n\n\n \n\n\n\n Analytical Chemistry, 81(1): 193–202. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"BioanalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{yu_bioanalysis_2009,\n\ttitle = {Bioanalysis without {Sample} {Cleanup} or {Chromatography}: {The} {Evaluation} and {Initial} {Implementation} of {Direct} {Analysis} in {Real} {Time} {Ionization} {Mass} {Spectrometry} for the {Quantification} of {Drugs} in {Biological} {Matrixes}},\n\tvolume = {81},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Bioanalysis without {Sample} {Cleanup} or {Chromatography}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac801734t},\n\tdoi = {10.1021/ac801734t},\n\tabstract = {Two key bottlenecks in pharmaceutical bioanalysis are sample cleanup and chromatographic separations. Although multiple approaches have been developed in the past decade to either shorten or multiplex these steps, they remain the rate limiting steps as ADME (Absorption, Distribution, Metabolism, and Excretion) property screening is being routinely incorporated into the drug discovery process. In this work, a novel system incorporating an automated Direct Analysis in Real Time (DART) ionization source coupled with a triple-quadrupole mass spectrometer has been developed and evaluated for quantitative bioanalysis. This system has the capability of directly analyzing samples from their biological matrixes and therefore potentially eliminating the need for sample cleanup and chromatographic separations. A LEAP Technologies autosampler was customized to perform the automated sample introduction into the DART beam with high precision, which significantly improved the reproducibility of the method. Additional pumping was applied to the atmospheric pressure inlet on the mass spectrometer to compensate for the increased vacuum load because of the use of high-flow helium by the DART. This resulted in an improvement of detection sensitivity by a factor of 10 to 100 times. Matrix effects for a diversified class of compounds were evaluated directly from untreated raw plasma and were found to range from approximately 0.05 to 0.7. Precision and accuracy were also tested for multiple test compounds over a dynamic range of four orders of magnitude. The system has been used to analyze biological samples from both in vivo pharmacokinetic studies and in vitro microsomal/S9 stability studies, and the results generated were similar to those obtained with conventional LC/MS/MS methods. Overall, this new automated DART-triple quadrupole mass spectrometer system has demonstrated significant potential for high-throughput bioanalysis.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Yu, Shaoxia and Crawford, Elizabeth and Tice, Joe and Musselman, Brian and Wu, Jing-Tao},\n\tyear = {2009},\n\tkeywords = {Applied Biosystems Triple Quad},\n\tpages = {193--202},\n}\n\n\n\n
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\n Two key bottlenecks in pharmaceutical bioanalysis are sample cleanup and chromatographic separations. Although multiple approaches have been developed in the past decade to either shorten or multiplex these steps, they remain the rate limiting steps as ADME (Absorption, Distribution, Metabolism, and Excretion) property screening is being routinely incorporated into the drug discovery process. In this work, a novel system incorporating an automated Direct Analysis in Real Time (DART) ionization source coupled with a triple-quadrupole mass spectrometer has been developed and evaluated for quantitative bioanalysis. This system has the capability of directly analyzing samples from their biological matrixes and therefore potentially eliminating the need for sample cleanup and chromatographic separations. A LEAP Technologies autosampler was customized to perform the automated sample introduction into the DART beam with high precision, which significantly improved the reproducibility of the method. Additional pumping was applied to the atmospheric pressure inlet on the mass spectrometer to compensate for the increased vacuum load because of the use of high-flow helium by the DART. This resulted in an improvement of detection sensitivity by a factor of 10 to 100 times. Matrix effects for a diversified class of compounds were evaluated directly from untreated raw plasma and were found to range from approximately 0.05 to 0.7. Precision and accuracy were also tested for multiple test compounds over a dynamic range of four orders of magnitude. The system has been used to analyze biological samples from both in vivo pharmacokinetic studies and in vitro microsomal/S9 stability studies, and the results generated were similar to those obtained with conventional LC/MS/MS methods. Overall, this new automated DART-triple quadrupole mass spectrometer system has demonstrated significant potential for high-throughput bioanalysis.\n
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\n \n\n \n \n \n \n \n \n Detection of Gamma-Hydroxybutyric Acid in Various Drink Matrices via AccuTOF-DART*.\n \n \n \n \n\n\n \n Bennett, M. J.; and Steiner, R. R.\n\n\n \n\n\n\n Journal of Forensic Sciences, 54(2): 370–375. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{bennett_detection_2009,\n\ttitle = {Detection of {Gamma}-{Hydroxybutyric} {Acid} in {Various} {Drink} {Matrices} via {AccuTOF}-{DART}*},\n\tvolume = {54},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2008.00955.x},\n\tdoi = {10.1111/j.1556-4029.2008.00955.x},\n\tabstract = {Abstract:  A new screening method for detecting gamma-hydroxybutyric acid (GHB) in drink matrices, using the IonSense, Inc. (Saugus, MA) direct analysis in real time (DART) ion source coupled to a JEOL exact mass time-of-flight mass spectrometer (AccuTOF), was validated and compared with the current screening methodology. The DART ion source allows for analysis of samples under ambient conditions with little to no sample preparation. Fifty drink specimens were spiked at levels of 1, 2, 3, and 4 mg/mL GHB, and analyzed on the AccuTOF-DART. Positive detection of GHB occurred for each of the samples at each concentration level, giving 100\\% accuracy for the samples tested. Twenty-five of the 50 drink specimens were spiked at 1 mg/mL GHB and tested using a color test known as the GHB Color Test \\#3. Only two of these 25 specimens tested positive for the presence of GHB, giving only 8\\% accuracy. Implementation of this new methodology as a screening tool for GHB analysis will quickly eliminate negative specimens allowing the examiner to focus analysis time on those that screened positive.},\n\tnumber = {2},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Bennett, Mark J. and Steiner, Robert R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF, Direct analysis in real time, Screening, controlled substances, forensic science, gamma-hydroxybutyrate, gamma-hydroxybutyric acid, mass spectrometry, time of flight},\n\tpages = {370--375},\n}\n\n\n\n
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\n Abstract:  A new screening method for detecting gamma-hydroxybutyric acid (GHB) in drink matrices, using the IonSense, Inc. (Saugus, MA) direct analysis in real time (DART) ion source coupled to a JEOL exact mass time-of-flight mass spectrometer (AccuTOF), was validated and compared with the current screening methodology. The DART ion source allows for analysis of samples under ambient conditions with little to no sample preparation. Fifty drink specimens were spiked at levels of 1, 2, 3, and 4 mg/mL GHB, and analyzed on the AccuTOF-DART. Positive detection of GHB occurred for each of the samples at each concentration level, giving 100% accuracy for the samples tested. Twenty-five of the 50 drink specimens were spiked at 1 mg/mL GHB and tested using a color test known as the GHB Color Test #3. Only two of these 25 specimens tested positive for the presence of GHB, giving only 8% accuracy. Implementation of this new methodology as a screening tool for GHB analysis will quickly eliminate negative specimens allowing the examiner to focus analysis time on those that screened positive.\n
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\n \n\n \n \n \n \n \n Ambient mass spectrometry employing direct analysis in real time (DART) ion source for olive oil quality and authenticity assessment.\n \n \n \n\n\n \n Vaclavik, L.; Cajka, T.; Hrbek, V.; and Hajslova, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 645(1-2): 56–63. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{vaclavik_ambient_2009,\n\ttitle = {Ambient mass spectrometry employing direct analysis in real time ({DART}) ion source for olive oil quality and authenticity assessment},\n\tvolume = {645},\n\tdoi = {10.1016/j.aca.2009.04.043},\n\tabstract = {A novel approach for the authentication of olive oil samples representing different quality grades has been developed. A new type of ion source, direct analysis in real time (DART), coupled to a high-resolution time-of-flight mass spectrometer (TOFMS) was employed for the comprehensive profiling of triacylglycerols (TAGs) and/or polar compounds extracted with a methanol–water mixture. The main parameters influencing the ionization efficiency of TAGs were the type of sample solvent, degree of sample dilution, ion beam temperature, and presence of a dopant (ammonia vapors). The ionization yield of polar compounds depended mainly on a content of water in the extract and ion beam temperature. Using DART–TOFMS, not only differentiation among extra virgin olive oil (EVOO), olive pomace oil (OPO) and olive oil (OO) could be easily achieved, but also EVOO adulteration with commonly used adulterant, hazelnut oil (HO), was feasible. Based on the linear discriminant analysis (LDA), the introduced method allowed detection of HO addition of 6 and 15\\% (v/v) when assessing DART–TOFMS mass profiles of polar compounds and TAGs, respectively.},\n\tnumber = {1-2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Vaclavik, Lukas and Cajka, Tomas and Hrbek, Vojtech and Hajslova, J.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {56--63},\n}\n\n\n\n
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\n A novel approach for the authentication of olive oil samples representing different quality grades has been developed. A new type of ion source, direct analysis in real time (DART), coupled to a high-resolution time-of-flight mass spectrometer (TOFMS) was employed for the comprehensive profiling of triacylglycerols (TAGs) and/or polar compounds extracted with a methanol–water mixture. The main parameters influencing the ionization efficiency of TAGs were the type of sample solvent, degree of sample dilution, ion beam temperature, and presence of a dopant (ammonia vapors). The ionization yield of polar compounds depended mainly on a content of water in the extract and ion beam temperature. Using DART–TOFMS, not only differentiation among extra virgin olive oil (EVOO), olive pomace oil (OPO) and olive oil (OO) could be easily achieved, but also EVOO adulteration with commonly used adulterant, hazelnut oil (HO), was feasible. Based on the linear discriminant analysis (LDA), the introduced method allowed detection of HO addition of 6 and 15% (v/v) when assessing DART–TOFMS mass profiles of polar compounds and TAGs, respectively.\n
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\n \n\n \n \n \n \n \n \n An Improved Protocol for the Analysis of Alcohols by Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Nilles, J.; and Connell, T.\n\n\n \n\n\n\n American Laboratory, 41(7): 25–27. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramee_improved_2009,\n\ttitle = {An {Improved} {Protocol} for the {Analysis} of {Alcohols} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {41},\n\turl = {http://www.americanlaboratory.com/914-Application-Notes/673-An-Improved-Protocol-for-the-Analysis-of-Alcohols-by-Direct-Analysis-in-Real-Time-Mass-Spectrometry/},\n\tabstract = {It was previously reported1 that when Direct Analysis in Real Time (DART™) (JEOL USA, Inc., Peabody, MA) mass spectrometry was applied to the analysis of very pure alcohols, their mass spectra were unexpectedly complicated. The plethora of peaks was found to be a DART-induced artifact that resulted from the open-air nature of the technique. This problem was solved by converting the alcohol into its corresponding carbamate via an N-hydro-C-alkoxy-addition reaction (reaction 1) with phenyl isocyanate:\n\nROH + C6H5NCO → RO−C(O)NHC6H5 (1)\n\nAlthough this reaction conveniently allows alcohols to be DART’ed, the reaction time ranges from 1 to 16 hr. This obviously led the authors to test the hypothesis that shorter reaction times can be achieved by using activated phenyl isocyanates with proper ring substitution. It is now timely to report these results.},\n\tnumber = {7},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D. and Nilles, J.M. and Connell, T.R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {25--27},\n}\n\n\n\n
\n
\n\n\n
\n It was previously reported1 that when Direct Analysis in Real Time (DART™) (JEOL USA, Inc., Peabody, MA) mass spectrometry was applied to the analysis of very pure alcohols, their mass spectra were unexpectedly complicated. The plethora of peaks was found to be a DART-induced artifact that resulted from the open-air nature of the technique. This problem was solved by converting the alcohol into its corresponding carbamate via an N-hydro-C-alkoxy-addition reaction (reaction 1) with phenyl isocyanate: ROH + C6H5NCO → RO−C(O)NHC6H5 (1) Although this reaction conveniently allows alcohols to be DART’ed, the reaction time ranges from 1 to 16 hr. This obviously led the authors to test the hypothesis that shorter reaction times can be achieved by using activated phenyl isocyanates with proper ring substitution. It is now timely to report these results.\n
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\n \n\n \n \n \n \n \n Ionization Mechanism of Positive-Ion Direct Analysis in Real Time: A Transient Microenvironment Concept.\n \n \n \n\n\n \n Song, L.; Gibson, S. C.; Bhandari, D.; Cook, K. D.; and Bartmess, J. E.\n\n\n \n\n\n\n Analytical Chemistry, 81(24): 10080–10088. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{song_ionization_2009,\n\ttitle = {Ionization {Mechanism} of {Positive}-{Ion} {Direct} {Analysis} in {Real} {Time}: {A} {Transient} {Microenvironment} {Concept}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tdoi = {10.1021/ac901122b},\n\tabstract = {A transient microenvironment mechanism (TMEM) is proposed to address matrix effects for direct analysis in real time (DART). When the DART gas stream is in contact with the sample, a transient microenvironment (TME), which can shield analytes from direct ionization, may be generated through the desorption of the matrix containing the analyte. The DART gas stream can directly ionize the matrix molecules, but the analytes will be ionized primarily through gas-phase ion/molecule reactions with the matrix ions. Experimental results showed that as little as 10 nL of liquid or 10 μg of solid was able to generate an efficient TME. Generated TMEs were able to control the ionization of an analyte below an analyte-to-matrix ratio that was dependent on the DART temperature and the boiling points of the analyte and matrix. TMEs generated by common solvents were studied in detail. The ionization of both polar and nonpolar compounds, present in a solvent or another analyte below a ratio of 1:100, were found to be mainly controlled by the generated TMEs at a DART temperature of 300 °C.},\n\tnumber = {24},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Song, Liguo and Gibson, Stephen C. and Bhandari, Deepak and Cook, Kelsey D. and Bartmess, John E.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {10080--10088},\n}\n\n\n\n
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\n\n\n
\n A transient microenvironment mechanism (TMEM) is proposed to address matrix effects for direct analysis in real time (DART). When the DART gas stream is in contact with the sample, a transient microenvironment (TME), which can shield analytes from direct ionization, may be generated through the desorption of the matrix containing the analyte. The DART gas stream can directly ionize the matrix molecules, but the analytes will be ionized primarily through gas-phase ion/molecule reactions with the matrix ions. Experimental results showed that as little as 10 nL of liquid or 10 μg of solid was able to generate an efficient TME. Generated TMEs were able to control the ionization of an analyte below an analyte-to-matrix ratio that was dependent on the DART temperature and the boiling points of the analyte and matrix. TMEs generated by common solvents were studied in detail. The ionization of both polar and nonpolar compounds, present in a solvent or another analyte below a ratio of 1:100, were found to be mainly controlled by the generated TMEs at a DART temperature of 300 °C.\n
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\n \n\n \n \n \n \n \n \n Alcohols Can Now Be Analyzed by a Direct Analysis in Real-Time Method: Applications for Chemical Warfare Agent Synthesis.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Nilles, J.; and Connell, T.\n\n\n \n\n\n\n American Laboratory, 41(4): 24–27. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AlcoholsPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramee_alcohols_2009,\n\ttitle = {Alcohols {Can} {Now} {Be} {Analyzed} by a {Direct} {Analysis} in {Real}-{Time} {Method}: {Applications} for {Chemical} {Warfare} {Agent} {Synthesis}},\n\tvolume = {41},\n\turl = {http://www.americanlaboratory.com/914-Application-Notes/652-Alcohols-Can-Now-Be-Analyzed-by-a-Direct-Analysis-in-Real-Time-Method-Applications-for-Chemical-Warfare-Agent-Synthesis/},\n\tabstract = {The cardinal principle for an operation involving chemical agents is to limit the potential exposure to a minimum number of personnel, for a minimum period of time, to a minimum amount of the chemical agent consistent with safe and efficient operations.1 This requires that the synthetic schemes be rapid and free from unnecessary by-products that would require otherwise further sample handling. Thus, acid/base chemistries with alcohols as intermediates are often used to synthesize phosphonofluoridates, phosphoramidocyanidate, and phosphonothioates.\n\nDovetailing into the cardinal principle is the need for a rapid chemical analysis method that can accurately confirm the identity and purity of the starting materials, intermediates, and final product(s). In order to accomplish these objectives, the U.S. Army’s Edgewood Chemical Biological Center (ECBC) has been using the Direct Analysis in Real Time (DART™) method (JEOL USA, Inc., Peabody, MA) since 2002.2 Since that time, a flurry of other open-air methods based on the use of metastable species has been seen.\n\nDuring the course of a large synthesis project comprising many organophosphorus compounds and their isotopically labeled analogs, it was observed that the DART datum for labeled alcohol intermediates neither corroborated the nuclear magnetic resonance (NMR) datum nor the GC-MS datum. Yet the data from these three analytical methods were in agreement when the final chemical agent product was analyzed. An investigation was initiated in order to discover the cause of this discrepancy, and a procedure was developed that allowed alcohols and organophosphorus intermediates to be analyzed by DART.},\n\tnumber = {4},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D. and Nilles, J.M. and Connell, T.R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {24--27},\n}\n\n\n\n
\n
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\n The cardinal principle for an operation involving chemical agents is to limit the potential exposure to a minimum number of personnel, for a minimum period of time, to a minimum amount of the chemical agent consistent with safe and efficient operations.1 This requires that the synthetic schemes be rapid and free from unnecessary by-products that would require otherwise further sample handling. Thus, acid/base chemistries with alcohols as intermediates are often used to synthesize phosphonofluoridates, phosphoramidocyanidate, and phosphonothioates. Dovetailing into the cardinal principle is the need for a rapid chemical analysis method that can accurately confirm the identity and purity of the starting materials, intermediates, and final product(s). In order to accomplish these objectives, the U.S. Army’s Edgewood Chemical Biological Center (ECBC) has been using the Direct Analysis in Real Time (DART™) method (JEOL USA, Inc., Peabody, MA) since 2002.2 Since that time, a flurry of other open-air methods based on the use of metastable species has been seen. During the course of a large synthesis project comprising many organophosphorus compounds and their isotopically labeled analogs, it was observed that the DART datum for labeled alcohol intermediates neither corroborated the nuclear magnetic resonance (NMR) datum nor the GC-MS datum. Yet the data from these three analytical methods were in agreement when the final chemical agent product was analyzed. An investigation was initiated in order to discover the cause of this discrepancy, and a procedure was developed that allowed alcohols and organophosphorus intermediates to be analyzed by DART.\n
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\n \n\n \n \n \n \n \n NADP+-dependent farnesol dehydrogenase, a corpora allata enzyme involved in juvenile hormone synthesis.\n \n \n \n\n\n \n Mayoral, J. G.; Nouzova, M.; Navare, A.; and Noriega, F. G.\n\n\n \n\n\n\n Proceedings of the National Academy of Sciences, 106(50): 21091–21096. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{mayoral_nadp+-dependent_2009,\n\ttitle = {{NADP}+-dependent farnesol dehydrogenase, a corpora allata enzyme involved in juvenile hormone synthesis},\n\tvolume = {106},\n\tdoi = {10.1073/pnas.0909938106},\n\tabstract = {The synthesis of juvenile hormone (JH) is an attractive target for control of insect pests and vectors of disease, but the minute size of the corpora allata (CA), the glands that synthesize JH, has made it difficult to identify important biosynthetic enzymes by classical biochemical approaches. Here, we report identification and characterization of an insect farnesol dehydrogenase (SDR-1) that oxidizes farnesol into farnesal, a precursor of JH, in the CA. SDR-1 was isolated as an EST in a library of the corpora allata-corpora cardiaca of the mosquito . The 245-amino acid protein presents the typical short-chain dehydrogenase (SDR) Rossmann-fold motif for nucleotide binding. This feature, together with other conserved sequence motifs, place SDR-1 into the “classical” NADP-dependent cP2 SDR subfamily. The gene is part of a group of highly conserved paralogs that cluster together in the mosquito genome; similar clusters of orthologs were found in other insect species. SDR-1 acts as a homodimer and efficiently oxidizes C to C isoprenoid and aliphatic alcohols, showing the highest affinity for the conversion of farnesol into farnesal. Farnesol dehydrogenase activity was not detected in the CA of newly emerged mosquitoes but significant activity was detected 24 h later. Real time PCR experiments revealed that SDR-1 mRNA levels were very low in the inactive CA of the newly emerged female, but increased {\\textgreater}30-fold 24 h later during the peak of JH synthesis. These results suggest that oxidation of farnesol might be a rate-limiting step in JH III synthesis in adult mosquitoes.},\n\tnumber = {50},\n\tjournal = {Proceedings of the National Academy of Sciences},\n\tauthor = {Mayoral, Jaime G. and Nouzova, Marcela and Navare, Arti and Noriega, Fernando G.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {21091--21096},\n}\n\n\n\n
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\n The synthesis of juvenile hormone (JH) is an attractive target for control of insect pests and vectors of disease, but the minute size of the corpora allata (CA), the glands that synthesize JH, has made it difficult to identify important biosynthetic enzymes by classical biochemical approaches. Here, we report identification and characterization of an insect farnesol dehydrogenase (SDR-1) that oxidizes farnesol into farnesal, a precursor of JH, in the CA. SDR-1 was isolated as an EST in a library of the corpora allata-corpora cardiaca of the mosquito . The 245-amino acid protein presents the typical short-chain dehydrogenase (SDR) Rossmann-fold motif for nucleotide binding. This feature, together with other conserved sequence motifs, place SDR-1 into the “classical” NADP-dependent cP2 SDR subfamily. The gene is part of a group of highly conserved paralogs that cluster together in the mosquito genome; similar clusters of orthologs were found in other insect species. SDR-1 acts as a homodimer and efficiently oxidizes C to C isoprenoid and aliphatic alcohols, showing the highest affinity for the conversion of farnesol into farnesal. Farnesol dehydrogenase activity was not detected in the CA of newly emerged mosquitoes but significant activity was detected 24 h later. Real time PCR experiments revealed that SDR-1 mRNA levels were very low in the inactive CA of the newly emerged female, but increased \\textgreater30-fold 24 h later during the peak of JH synthesis. These results suggest that oxidation of farnesol might be a rate-limiting step in JH III synthesis in adult mosquitoes.\n
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\n \n\n \n \n \n \n \n Identification of a cannabimimetic indole as a designer drug in a herbal product.\n \n \n \n\n\n \n Uchiyama, N.; Kikura-Hanajiri, R.; Kawahara, N.; and Goda, Y.\n\n\n \n\n\n\n Forensic Toxicology, 27(2): 61–66. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{uchiyama_identification_2009,\n\ttitle = {Identification of a cannabimimetic indole as a designer drug in a herbal product},\n\tvolume = {27},\n\tnumber = {2},\n\tjournal = {Forensic Toxicology},\n\tauthor = {Uchiyama, N. and Kikura-Hanajiri, R. and Kawahara, N. and Goda, Y.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {61--66},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Temperature-dependent release of volatile organic compounds of eucalypts by direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Maleknia, S. D.; Vail, T. M.; Cody, R. B.; Sparkman, D. O.; Bell, T. L.; and Adams, M. A.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 23(15): 2241–2246. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{maleknia_temperature-dependent_2009,\n\ttitle = {Temperature-dependent release of volatile organic compounds of eucalypts by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {23},\n\tissn = {1097-0231},\n\tabstract = {A method is described for the rapid identification of biogenic, volatile organic compounds (VOCs) emitted by plants, including the analysis of the temperature dependence of those emissions. Direct analysis in real time (DART) enabled ionization of VOCs from stem and leaf of several eucalyptus species including E. cinerea, E. citriodora, E. nicholii and E. sideroxylon. Plant tissues were placed directly in the gap between the DART ionization source skimmer and the capillary inlet of the time-of-flight (TOF) mass spectrometer. Temperature-dependent emission of VOCs was achieved by adjusting the temperature of the helium gas into the DART ionization source at 50, 100, 200 and 300°C, which enabled direct evaporation of compounds, up to the onset of pyrolysis of plant fibres (i.e. cellulose and lignin). Accurate mass measurements facilitated by TOF mass spectrometry provided elemental compositions for the VOCs. A wide range of compounds was detected from simple organic compounds (i.e. methanol and acetone) to a series of monoterpenes (i.e. pinene, camphene, cymene, eucalyptol) common to many plant species, as well as several less abundant sesquiterpenes and flavonoids (i.e. naringenin, spathulenol, eucalyptin) with antioxidant and antimicrobial properties. The leaf and stem tissues for all four eucalypt species showed similar compounds. The relative abundances of methanol and ethanol were greater in stem wood than in leaf tissue suggesting that DART could be used to investigate the tissue-specific transport and emissions of VOCs.},\n\tnumber = {15},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Maleknia, Simin D. and Vail, Teresa M. and Cody, Robert B. and Sparkman, David O. and Bell, Tina L. and Adams, Mark A.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {2241--2246},\n}\n\n\n\n
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\n A method is described for the rapid identification of biogenic, volatile organic compounds (VOCs) emitted by plants, including the analysis of the temperature dependence of those emissions. Direct analysis in real time (DART) enabled ionization of VOCs from stem and leaf of several eucalyptus species including E. cinerea, E. citriodora, E. nicholii and E. sideroxylon. Plant tissues were placed directly in the gap between the DART ionization source skimmer and the capillary inlet of the time-of-flight (TOF) mass spectrometer. Temperature-dependent emission of VOCs was achieved by adjusting the temperature of the helium gas into the DART ionization source at 50, 100, 200 and 300°C, which enabled direct evaporation of compounds, up to the onset of pyrolysis of plant fibres (i.e. cellulose and lignin). Accurate mass measurements facilitated by TOF mass spectrometry provided elemental compositions for the VOCs. A wide range of compounds was detected from simple organic compounds (i.e. methanol and acetone) to a series of monoterpenes (i.e. pinene, camphene, cymene, eucalyptol) common to many plant species, as well as several less abundant sesquiterpenes and flavonoids (i.e. naringenin, spathulenol, eucalyptin) with antioxidant and antimicrobial properties. The leaf and stem tissues for all four eucalypt species showed similar compounds. The relative abundances of methanol and ethanol were greater in stem wood than in leaf tissue suggesting that DART could be used to investigate the tissue-specific transport and emissions of VOCs.\n
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\n \n\n \n \n \n \n \n Eucalypt smoke and wildfires: Temperature dependent emissions of biogenic volatile organic compounds.\n \n \n \n\n\n \n Maleknia, S.; Bell, T.; and Adam, M.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 279(2-3): 126–133. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{maleknia_eucalypt_2009,\n\ttitle = {Eucalypt smoke and wildfires: {Temperature} dependent emissions of biogenic volatile organic compounds},\n\tvolume = {279},\n\tabstract = {Eucalypt contributions to biogenic sources of volatile organic compounds (VOCs) in Australia are estimated at teragram (Tg = 1012 g) amounts each year. Biogenic VOCs include plant-specific isoprenoids (isoprene and a range of terpenes) and other reactive organic compounds (i.e., acids, aldehydes and ketones). Atmospheric reactions of VOCs are numerous and many have significant environmental impact. Wildfires\nincrease both the amounts of VOCs released and the complexity of their reactions. Proton-transfer reaction mass spectrometry (PTR-MS), gas chromatography mass spectrometry (GCMS) and direct analysis in real time (DART) mass spectrometry were applied to analyze release of VOCs as a function of temperatures ranging from ambient to combustion. PTR-MS enabled trace level analysis of VOCs from a complex\nforest atmosphere and revealed the release of terpenes associated with leaf damage during a storm. Temperature profile studies revealed ion abundances (i.e., emissions of VOCs) could be correlated with boiling points and vapor pressures of specific compounds. PTR-MS analysis of VOCs resulting from heating fresh leaf (E. grandis) material suggested that emissions of protonated methanol (m/z 33) and protonated\nacetaldehyde (m/z 45) were greatest at {\\textasciitilde}60 ◦C while m/z 137 and 153 (associated with a series of terpenes) showed monotonic increases in ion abundance over a wide temperature range from ambient to 200 ◦C. GCMS analysis of fresh and senescent leaves of E. grandis showed that a series of VOCs (ethylvinylketone, diethylketone, 2-ethylfuran, hexanal and hexenals) are present only in fresh leaves while several terpenes ( and  pinenes, -phellandrene, eucalyptol, -terpinene) were common in both. DART analysis of fresh leaf and stem of E. sideroxylon identified tissue-specific VOCs (e.g., methanol and ethanol were more abundant in stems). PTR-MS combustion studies of senescent leaves (E. grandis) identified two distinct, temperature-dependent VOC compositions. Before the appearance of smoke, the composition of VOCs remained consistent and correlated well with various naturally occurring isoprenoids, as observed in temperature profile studies. Sampling of eucalypt smoke suggested ions (m/z 75, 85, 87, 99, 111 and 125) correlated with protonated mass of oxygenated aldehydes, ketones, furans and substituted benzenes, and were due to pyrolysis of polycarbohydrates (cellulose and lignin) that are common in many types of wood.},\n\tnumber = {2-3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Maleknia, S.D. and Bell, T.L. and Adam, M.A.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {126--133},\n}\n\n\n\n
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\n Eucalypt contributions to biogenic sources of volatile organic compounds (VOCs) in Australia are estimated at teragram (Tg = 1012 g) amounts each year. Biogenic VOCs include plant-specific isoprenoids (isoprene and a range of terpenes) and other reactive organic compounds (i.e., acids, aldehydes and ketones). Atmospheric reactions of VOCs are numerous and many have significant environmental impact. Wildfires increase both the amounts of VOCs released and the complexity of their reactions. Proton-transfer reaction mass spectrometry (PTR-MS), gas chromatography mass spectrometry (GCMS) and direct analysis in real time (DART) mass spectrometry were applied to analyze release of VOCs as a function of temperatures ranging from ambient to combustion. PTR-MS enabled trace level analysis of VOCs from a complex forest atmosphere and revealed the release of terpenes associated with leaf damage during a storm. Temperature profile studies revealed ion abundances (i.e., emissions of VOCs) could be correlated with boiling points and vapor pressures of specific compounds. PTR-MS analysis of VOCs resulting from heating fresh leaf (E. grandis) material suggested that emissions of protonated methanol (m/z 33) and protonated acetaldehyde (m/z 45) were greatest at ~60 ◦C while m/z 137 and 153 (associated with a series of terpenes) showed monotonic increases in ion abundance over a wide temperature range from ambient to 200 ◦C. GCMS analysis of fresh and senescent leaves of E. grandis showed that a series of VOCs (ethylvinylketone, diethylketone, 2-ethylfuran, hexanal and hexenals) are present only in fresh leaves while several terpenes ( and pinenes, -phellandrene, eucalyptol, -terpinene) were common in both. DART analysis of fresh leaf and stem of E. sideroxylon identified tissue-specific VOCs (e.g., methanol and ethanol were more abundant in stems). PTR-MS combustion studies of senescent leaves (E. grandis) identified two distinct, temperature-dependent VOC compositions. Before the appearance of smoke, the composition of VOCs remained consistent and correlated well with various naturally occurring isoprenoids, as observed in temperature profile studies. Sampling of eucalypt smoke suggested ions (m/z 75, 85, 87, 99, 111 and 125) correlated with protonated mass of oxygenated aldehydes, ketones, furans and substituted benzenes, and were due to pyrolysis of polycarbohydrates (cellulose and lignin) that are common in many types of wood.\n
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\n \n\n \n \n \n \n \n Desorption Electrospray/Metastable-Induced Ionization: A Flexible Multimode Ambient Ion Generation Technique.\n \n \n \n\n\n \n Nyadong, L.; Galhena, A. S.; and Fernandez, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 81(18): 7788–7794. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{nyadong_desorption_2009,\n\ttitle = {Desorption {Electrospray}/{Metastable}-{Induced} {Ionization}: {A} {Flexible} {Multimode} {Ambient} {Ion} {Generation} {Technique}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tdoi = {10.1021/ac9014098},\n\tabstract = {Presented here is a novel multimode ambient ion source termed desorption electrospray/metastable-induced ionization (DEMI), which integrates the benefits and circumvents some of the limitations of desorption electrospray ionization (DESI, polarity range limited) and direct analysis in real time (DART)-type metastable-induced chemical ionization (MICI, molecular weight limited). This ion source allows three unique operation modes, each with unique capabilities, including spray (DESI-like)-only, MICI-only, and DEMI (multimode), and can be thus operated in each of these modes allowing the detection of a wider range of analytes of interest. Ion source operation in the MICI-only mode is particularly well suited for the analysis of low-polarity, low-molecular weight compounds in powdered, solid, or dissolved samples. Operation of the ion source in spray-only mode shows superior performance for the analysis of high-molecular weight, high-polarity compounds over the MICI-only mode. Heating the nebulizer gas in spray-only mode allows improved analyte solubility in the spray solvent, enabling up to an order of magnitude improvement in sensitivity. Perhaps the most appealing mode of operation of the ion source is the DEMI mode which allows the simultaneous detection of compounds within a much broader range of polarities and molecular weights than each of the individual modes. For drug quality screening and counterfeit detection applications, operation in the DEMI mode results in the generation of both protonated and sodiated analytes. The observation of such complementary ionic species facilitates compound identification when investigating unknowns.},\n\tnumber = {18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nyadong, Leonard and Galhena, Asiri S. and Fernandez, Facundo M.},\n\tyear = {2009},\n\tkeywords = {Thermo LCQ},\n\tpages = {7788--7794},\n}\n\n\n\n
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\n Presented here is a novel multimode ambient ion source termed desorption electrospray/metastable-induced ionization (DEMI), which integrates the benefits and circumvents some of the limitations of desorption electrospray ionization (DESI, polarity range limited) and direct analysis in real time (DART)-type metastable-induced chemical ionization (MICI, molecular weight limited). This ion source allows three unique operation modes, each with unique capabilities, including spray (DESI-like)-only, MICI-only, and DEMI (multimode), and can be thus operated in each of these modes allowing the detection of a wider range of analytes of interest. Ion source operation in the MICI-only mode is particularly well suited for the analysis of low-polarity, low-molecular weight compounds in powdered, solid, or dissolved samples. Operation of the ion source in spray-only mode shows superior performance for the analysis of high-molecular weight, high-polarity compounds over the MICI-only mode. Heating the nebulizer gas in spray-only mode allows improved analyte solubility in the spray solvent, enabling up to an order of magnitude improvement in sensitivity. Perhaps the most appealing mode of operation of the ion source is the DEMI mode which allows the simultaneous detection of compounds within a much broader range of polarities and molecular weights than each of the individual modes. For drug quality screening and counterfeit detection applications, operation in the DEMI mode results in the generation of both protonated and sodiated analytes. The observation of such complementary ionic species facilitates compound identification when investigating unknowns.\n
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\n \n\n \n \n \n \n \n Elderberry flavonoids bind to and prevent H1N1 infection in vitro.\n \n \n \n\n\n \n Roschek Jr., B.; Fink, R. C.; McMichael, M. D.; Li, D.; and Alberte, R. S.\n\n\n \n\n\n\n Phytochemistry, 70(10): 1255–1262. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{roschek_jr._elderberry_2009,\n\ttitle = {Elderberry flavonoids bind to and prevent {H1N1} infection in vitro},\n\tvolume = {70},\n\tdoi = {10.1016/j.phytochem.2009.06.003},\n\tabstract = {A ionization technique in mass spectrometry called Direct Analysis in Real Time Mass Spectrometry (DART TOF-MS) coupled with a Direct Binding Assay was used to identify and characterize anti-viral components of an elderberry fruit (Sambucus nigra L.) extract without either derivatization or separation by standard chromatographic techniques. The elderberry extract inhibited Human Influenza A (H1N1) infection in vitro with an IC50 value of 252 ± 34 μg/mL. The Direct Binding Assay established that flavonoids from the elderberry extract bind to H1N1 virions and, when bound, block the ability of the viruses to infect host cells. Two compounds were identified, 5,7,3′,4′-tetra-O-methylquercetin (1) and 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chroman-3-yl-3,4,5-trihydroxycyclohexanecarboxylate (2), as H1N1-bound chemical species. Compound 1 and dihydromyricetin (3), the corresponding 3-hydroxyflavonone of 2, were synthesized and shown to inhibit H1N1 infection in vitro by binding to H1N1 virions, blocking host cell entry and/or recognition. Compound 1 gave an IC50 of 0.13 μg/mL (0.36 μM) for H1N1 infection inhibition, while dihydromyricetin (3) achieved an IC50 of 2.8 μg/mL (8.7 μM). The H1N1 inhibition activities of the elderberry flavonoids compare favorably to the known anti-influenza activities of Oseltamivir (Tamiflu®; 0.32 μM) and Amantadine (27 μM).},\n\tnumber = {10},\n\tjournal = {Phytochemistry},\n\tauthor = {Roschek Jr., Bill and Fink, Ryan C. and McMichael, Matthew D. and Li, Dan and Alberte, Randall S.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1255--1262},\n}\n\n\n\n
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\n A ionization technique in mass spectrometry called Direct Analysis in Real Time Mass Spectrometry (DART TOF-MS) coupled with a Direct Binding Assay was used to identify and characterize anti-viral components of an elderberry fruit (Sambucus nigra L.) extract without either derivatization or separation by standard chromatographic techniques. The elderberry extract inhibited Human Influenza A (H1N1) infection in vitro with an IC50 value of 252 ± 34 μg/mL. The Direct Binding Assay established that flavonoids from the elderberry extract bind to H1N1 virions and, when bound, block the ability of the viruses to infect host cells. Two compounds were identified, 5,7,3′,4′-tetra-O-methylquercetin (1) and 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chroman-3-yl-3,4,5-trihydroxycyclohexanecarboxylate (2), as H1N1-bound chemical species. Compound 1 and dihydromyricetin (3), the corresponding 3-hydroxyflavonone of 2, were synthesized and shown to inhibit H1N1 infection in vitro by binding to H1N1 virions, blocking host cell entry and/or recognition. Compound 1 gave an IC50 of 0.13 μg/mL (0.36 μM) for H1N1 infection inhibition, while dihydromyricetin (3) achieved an IC50 of 2.8 μg/mL (8.7 μM). The H1N1 inhibition activities of the elderberry flavonoids compare favorably to the known anti-influenza activities of Oseltamivir (Tamiflu®; 0.32 μM) and Amantadine (27 μM).\n
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\n \n\n \n \n \n \n \n Ionization Mechanism of Negative Ion-Direct Analysis in Real Time: A Comparative Study with Negative Ion-Atmospheric Pressure Photoionization.\n \n \n \n\n\n \n Song, L.; Dykstra, A. B.; Yao, H.; and Bartmess, J. E.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(1): 42–50. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{song_ionization_2009,\n\ttitle = {Ionization {Mechanism} of {Negative} {Ion}-{Direct} {Analysis} in {Real} {Time}: {A} {Comparative} {Study} with {Negative} {Ion}-{Atmospheric} {Pressure} {Photoionization}},\n\tvolume = {20},\n\tabstract = {The ionization mechanism of negative ion-direct analysis in real time (NI-DART) has been investigated using over 42 compounds, including fullerenes, perfluorocarbons (PFC), organic explosives, phenols, pentafluorobenzyl (PFB) derivatized phenols, anilines, and carboxylic\nacids, which were previously studied by negative ion-atmospheric pressure photoionization (NI-APPI). NI-DART generated ionization products similar to NI-APPI, which led to four ionization mechanisms, including electron capture (EC), dissociative EC, proton transfer, and\nanion attachment. These four ionization mechanisms make both NI-DART and NI-APPI capable of ionizing a wider range of compounds than negative ion-atmospheric pressure chemical ionization (APCI) or negative ion-electrospray ionization (ESI). As the operation of NI-DART is much easier than that of NI-APPI and the gas-phase ion chemistry of NI-DART is more easily manipulated than that of NI-APPI, NI-DART can be therefore used to study in detail the ionization mechanism of LC/NI-APPI-MS, which would be a powerful methodology for the quantification of low-polarity compounds. Herein, one such application has been further demonstrated in the detection and identification of background ions from LC solvents and APPI dopants, including water, acetonitrile, chloroform, methylene chloride, methanol, 2-propanol, hexanes, heptane, cyclohexane, acetone, tetrahydrofuran (THF), 1,4-dioxane, toluene, and anisole. Possible reaction pathways leading to the formation of these background\nions were further inferred. One of the conclusions from these experiments is that THF and 1,4-dioxane are inappropriate to be used as solvents and/or dopants for LC/NI-APPI-MS due to their high reactivity with source basic ions, leading to many reactant ions in the background.},\n\tnumber = {1},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Song, Liguo and Dykstra, Andrew B. and Yao, Huifang and Bartmess, John E.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {42--50},\n}\n\n\n\n
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\n The ionization mechanism of negative ion-direct analysis in real time (NI-DART) has been investigated using over 42 compounds, including fullerenes, perfluorocarbons (PFC), organic explosives, phenols, pentafluorobenzyl (PFB) derivatized phenols, anilines, and carboxylic acids, which were previously studied by negative ion-atmospheric pressure photoionization (NI-APPI). NI-DART generated ionization products similar to NI-APPI, which led to four ionization mechanisms, including electron capture (EC), dissociative EC, proton transfer, and anion attachment. These four ionization mechanisms make both NI-DART and NI-APPI capable of ionizing a wider range of compounds than negative ion-atmospheric pressure chemical ionization (APCI) or negative ion-electrospray ionization (ESI). As the operation of NI-DART is much easier than that of NI-APPI and the gas-phase ion chemistry of NI-DART is more easily manipulated than that of NI-APPI, NI-DART can be therefore used to study in detail the ionization mechanism of LC/NI-APPI-MS, which would be a powerful methodology for the quantification of low-polarity compounds. Herein, one such application has been further demonstrated in the detection and identification of background ions from LC solvents and APPI dopants, including water, acetonitrile, chloroform, methylene chloride, methanol, 2-propanol, hexanes, heptane, cyclohexane, acetone, tetrahydrofuran (THF), 1,4-dioxane, toluene, and anisole. Possible reaction pathways leading to the formation of these background ions were further inferred. One of the conclusions from these experiments is that THF and 1,4-dioxane are inappropriate to be used as solvents and/or dopants for LC/NI-APPI-MS due to their high reactivity with source basic ions, leading to many reactant ions in the background.\n
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\n \n\n \n \n \n \n \n Pro-Inflammatory Enzymes, Cyclooxygenase 1, Cyclooxygenase 2, and 5-Lipooxygenase, Inhibited by Stabilized Rice Bran Extracts.\n \n \n \n\n\n \n Roschek Jr., B.; Fink, R. C.; Li, D.; McMichael, M.; Tower, C. M.; Smith, R. D.; and Alberte, R. S.\n\n\n \n\n\n\n Journal of Medicinal Food, 12(3): 615–623. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{roschek_jr._pro-inflammatory_2009,\n\ttitle = {Pro-{Inflammatory} {Enzymes}, {Cyclooxygenase} 1, {Cyclooxygenase} 2, and 5-{Lipooxygenase}, {Inhibited} by {Stabilized} {Rice} {Bran} {Extracts}},\n\tvolume = {12},\n\tdoi = {10.1089=jmf.2008.0133},\n\tabstract = {Rice bran, the outer bran and germ of the kernel and a by-product of rice milling, is rich in phytonutrients but\nhas been underutilized because of lipid content instability. New methods for the processing of rice bran have yielded a\nstabilized form that is increasingly used in foods and dietary supplements. Recent studies have documented a role for\nstabilized rice bran (SRB) in treating diabetes and arthritis, although little is known of the bioactive compounds that impart\nthese health benefits. Here we characterize the chemical composition of three extracts of SRB and identify the functional\nbioactives contributing to the inhibitory properties against three key pro-inflammatory enzymes (cyclooxygenase [COX] 1,\nCOX2, and 5-lipoxygenase [5-LOX]) that control the inflammatory cascade involved in impaired joint health, pain, and\narthritis. One extract (SRB-AI) demonstrated significant COX1 and COX2 inhibitory activities with 50\\% inhibitory concentration\n(IC50) values for COX1 and COX2 of 305 and 29 mg=mL, respectively, but no 5-LOX inhibition. The second\nextract (SRB-AII) inhibited COX1, COX2, and 5-LOX with IC50 values of 310, 19, and 396 mg=mL, respectively. The third\nextract (SRB-AIII), a blend of SRB-AI and SRB-AIII, inhibited COX1, COX2, and 5-LOX with respective IC50 values of 48,\n11, and 197 mg=mL. Analysis of the extracts by direct analysis in real time time of flight-mass spectrometry revealed that\nSRB-AI, SRB-AII, and SRB-AIII contain over 620, 770, and 810 compounds, respectively. Of these, 17 were identified as key\nbioactives for COX and=or LOX inhibition. These SRB extracts have applications for functional foods and dietary supplements\nfor control of inflammation and joint health.},\n\tnumber = {3},\n\tjournal = {Journal of Medicinal Food},\n\tauthor = {Roschek Jr., Bill and Fink, Ryan C. and Li, Dan and McMichael, Matthew and Tower, Christine M. and Smith, Robert D. and Alberte, Randall S.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {615--623},\n}\n\n\n\n
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\n Rice bran, the outer bran and germ of the kernel and a by-product of rice milling, is rich in phytonutrients but has been underutilized because of lipid content instability. New methods for the processing of rice bran have yielded a stabilized form that is increasingly used in foods and dietary supplements. Recent studies have documented a role for stabilized rice bran (SRB) in treating diabetes and arthritis, although little is known of the bioactive compounds that impart these health benefits. Here we characterize the chemical composition of three extracts of SRB and identify the functional bioactives contributing to the inhibitory properties against three key pro-inflammatory enzymes (cyclooxygenase [COX] 1, COX2, and 5-lipoxygenase [5-LOX]) that control the inflammatory cascade involved in impaired joint health, pain, and arthritis. One extract (SRB-AI) demonstrated significant COX1 and COX2 inhibitory activities with 50% inhibitory concentration (IC50) values for COX1 and COX2 of 305 and 29 mg=mL, respectively, but no 5-LOX inhibition. The second extract (SRB-AII) inhibited COX1, COX2, and 5-LOX with IC50 values of 310, 19, and 396 mg=mL, respectively. The third extract (SRB-AIII), a blend of SRB-AI and SRB-AIII, inhibited COX1, COX2, and 5-LOX with respective IC50 values of 48, 11, and 197 mg=mL. Analysis of the extracts by direct analysis in real time time of flight-mass spectrometry revealed that SRB-AI, SRB-AII, and SRB-AIII contain over 620, 770, and 810 compounds, respectively. Of these, 17 were identified as key bioactives for COX and=or LOX inhibition. These SRB extracts have applications for functional foods and dietary supplements for control of inflammation and joint health.\n
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\n \n\n \n \n \n \n \n Combining Two-Dimensional Diffusion-Ordered Nuclear Magnetic Resonance Spectroscopy, Imaging Desorption Electrospray Ionization Mass Spectrometry, and Direct Analysis in Real-Time Mass Spectrometry for the Integral Investigation of Counterfeit Pharmaceuticals.\n \n \n \n\n\n \n Nyadong, L.; Harris, G. A.; Balayssac, S.; Galhena, A. S.; Malet-Martino, M.; Martino, R.; Parry, R. M.; Wang, M. D.; Fernández, F. M.; and Gilard, V.\n\n\n \n\n\n\n Analytical Chemistry, 81(12): 4803–4812. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{nyadong_combining_2009,\n\ttitle = {Combining {Two}-{Dimensional} {Diffusion}-{Ordered} {Nuclear} {Magnetic} {Resonance} {Spectroscopy}, {Imaging} {Desorption} {Electrospray} {Ionization} {Mass} {Spectrometry}, and {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry} for the {Integral} {Investigation} of {Counterfeit} {Pharmaceuticals}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tabstract = {During the past decade, there has been a marked increase in the number of reported cases involving counterfeit medicines in developing and developed countries. Particularly, artesunate-based antimalarial drugs have been targeted, because of their high demand and cost. Counterfeit antimalarials can cause death and can contribute to the growing problem of drug resistance, particularly in southeast Asia. In this study, the complementarity of two-dimensional diffusion-ordered 1H nuclear magnetic resonance spectroscopy (2D DOSY 1H NMR) with direct analysis in real-time mass spectrometry (DART MS) and desorption electrospray ionization mass spectrometry (DESI MS) was assessed for pharmaceutical forensic purposes. Fourteen different artesunate tablets, representative of what can be purchased from informal sources in southeast Asia, were investigated with these techniques. The expected active pharmaceutical ingredient was detected in only five formulations via both nuclear magnetic resonance (NMR) and mass spectrometry (MS) methods. Common organic excipients such as sucrose, lactose, stearate, dextrin, and starch were also detected. The graphical representation of DOSY 1H NMR results proved very useful for establishing similarities among groups of samples, enabling counterfeit drug “chemotyping”. In addition to bulk- and surface-average analyses, spatially resolved information on the surface composition of counterfeit and genuine antimalarial formulations was obtained using DESI MS that was performed in the imaging mode, which enabled one to visualize the homogeneity of both genuine and counterfeit drug samples. Overall, this study suggests that 2D DOSY 1H NMR, combined with ambient MS, comprises a powerful suite of instrumental analysis methodologies for the integral characterization of counterfeit antimalarials.},\n\tnumber = {12},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nyadong, Leonard and Harris, Glenn A. and Balayssac, Stephane and Galhena, Asiri S. and Malet-Martino, Myriam and Martino, Robert and Parry, R. Mitchell and Wang, May Dongmei and Fernández, Facundo M. and Gilard, Veronique},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {4803--4812},\n}\n\n\n\n
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\n During the past decade, there has been a marked increase in the number of reported cases involving counterfeit medicines in developing and developed countries. Particularly, artesunate-based antimalarial drugs have been targeted, because of their high demand and cost. Counterfeit antimalarials can cause death and can contribute to the growing problem of drug resistance, particularly in southeast Asia. In this study, the complementarity of two-dimensional diffusion-ordered 1H nuclear magnetic resonance spectroscopy (2D DOSY 1H NMR) with direct analysis in real-time mass spectrometry (DART MS) and desorption electrospray ionization mass spectrometry (DESI MS) was assessed for pharmaceutical forensic purposes. Fourteen different artesunate tablets, representative of what can be purchased from informal sources in southeast Asia, were investigated with these techniques. The expected active pharmaceutical ingredient was detected in only five formulations via both nuclear magnetic resonance (NMR) and mass spectrometry (MS) methods. Common organic excipients such as sucrose, lactose, stearate, dextrin, and starch were also detected. The graphical representation of DOSY 1H NMR results proved very useful for establishing similarities among groups of samples, enabling counterfeit drug “chemotyping”. In addition to bulk- and surface-average analyses, spatially resolved information on the surface composition of counterfeit and genuine antimalarial formulations was obtained using DESI MS that was performed in the imaging mode, which enabled one to visualize the homogeneity of both genuine and counterfeit drug samples. Overall, this study suggests that 2D DOSY 1H NMR, combined with ambient MS, comprises a powerful suite of instrumental analysis methodologies for the integral characterization of counterfeit antimalarials.\n
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\n \n\n \n \n \n \n \n Rapid and nondestructive analysis of phthalic acid esters in toys made of poly(vinyl chloride) by direct analysis in real time single-quadrupole mass spectrometry.\n \n \n \n\n\n \n Rothenbacher, T.; and Schwack, W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 23(17): 2829–2835. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{rothenbacher_rapid_2009,\n\ttitle = {Rapid and nondestructive analysis of phthalic acid esters in toys made of poly(vinyl chloride) by direct analysis in real time single-quadrupole mass spectrometry},\n\tvolume = {23},\n\tissn = {1097-0231},\n\tabstract = {In the European Community, selected phthalic acid esters (PAE) are restricted in their use for the manufacture of toys and childcare articles to a content of 0.1\\% by weight. As PAE are mainly used as plasticisers for poly(vinyl chloride) (PVC), a rapid screening method for PVC samples with direct analysis in real time ionisation and single-quadrupole mass spectrometry (DART-MS) was developed. Using the ions for the protonated molecules, a limit of detection (LOD) of 0.05\\% was obtained for benzyl butyl phthalate, bis(2-ethylhexyl) phthalate and diisononyl phthalate, while for dibutyl phthalate, di-n-octyl phthalate and diisodecyl phthalate the LOD was 0.1\\%. Validation of identification by the presence of ammonium adducts and characteristic fragment ions was possible to a content of ge1\\% for all PAE, except for benzyl butyl phthalate (ge5\\%). Based on the fragment ions, bis(2-ethylhexyl) phthalate could clearly be distinguished from di-n-octyl phthalate, if the concentrations were ge5\\% and ge1\\% at measured DART helium temperatures of 130 and 310°C, respectively. The complete analysis of one sample only took about 8 min. At the generally used gas temperature of 130°C, most toy and childcare samples did not sustain damage if their shape fitted into the DART source.},\n\tnumber = {17},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rothenbacher, Thorsten and Schwack, Wolfgang},\n\tyear = {2009},\n\tkeywords = {Agilent Quad},\n\tpages = {2829--2835},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n In the European Community, selected phthalic acid esters (PAE) are restricted in their use for the manufacture of toys and childcare articles to a content of 0.1% by weight. As PAE are mainly used as plasticisers for poly(vinyl chloride) (PVC), a rapid screening method for PVC samples with direct analysis in real time ionisation and single-quadrupole mass spectrometry (DART-MS) was developed. Using the ions for the protonated molecules, a limit of detection (LOD) of 0.05% was obtained for benzyl butyl phthalate, bis(2-ethylhexyl) phthalate and diisononyl phthalate, while for dibutyl phthalate, di-n-octyl phthalate and diisodecyl phthalate the LOD was 0.1%. Validation of identification by the presence of ammonium adducts and characteristic fragment ions was possible to a content of ge1% for all PAE, except for benzyl butyl phthalate (ge5%). Based on the fragment ions, bis(2-ethylhexyl) phthalate could clearly be distinguished from di-n-octyl phthalate, if the concentrations were ge5% and ge1% at measured DART helium temperatures of 130 and 310°C, respectively. The complete analysis of one sample only took about 8 min. At the generally used gas temperature of 130°C, most toy and childcare samples did not sustain damage if their shape fitted into the DART source.\n
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\n \n\n \n \n \n \n \n Ambient Mass Spectrometric Detection of Organometallic Compounds Using Direct Analysis in Real Time.\n \n \n \n\n\n \n Borges, D.; Sturgeon, R.; Welz, B.; Curtius, A.; and Mester, Z.\n\n\n \n\n\n\n Analytical Chemistry, 81(23): 9834–9839. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{borges_ambient_2009,\n\ttitle = {Ambient {Mass} {Spectrometric} {Detection} of {Organometallic} {Compounds} {Using} {Direct} {Analysis} in {Real} {Time}},\n\tvolume = {81},\n\tdoi = {10.1021/ac901778n},\n\tabstract = {The present work describes the mass spectrometric detection of organometallic compounds following their atmospheric pressure ionization using a commercial direct analysis in real time (DART) ion source. Several organometallic compounds of As, Fe, Hg, Pb, Se, and Sn were examined, and their corresponding mass spectra as well as induced fragmentation patterns were recorded. Gas phase sampling of the pure organometallic compounds or their solutions prepared in toluene generated temporally stable signals. For the majority of the compounds, the molecular ion or protonated molecule was detected; noticeable exceptions are the tetra-substituted compounds for which their less-substituted species dominated. The organometallic species were used as model compounds for a systematic investigation of the impact of operating parameters of the DART source, including gas temperature and electrode voltages. In general, results have shown that powering the electrodes designed to remove ions from the DART gas stream results in a reduction in signal intensity for most of the compounds investigated, suggesting that charged species from the plasma play an important role in the ionization process of the test analytes.},\n\tnumber = {23},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Borges, D.L.G. and Sturgeon, R.E. and Welz, B. and Curtius, A.J. and Mester, Z.},\n\tyear = {2009},\n\tkeywords = {Thermo LTQ},\n\tpages = {9834--9839},\n}\n\n\n\n
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\n The present work describes the mass spectrometric detection of organometallic compounds following their atmospheric pressure ionization using a commercial direct analysis in real time (DART) ion source. Several organometallic compounds of As, Fe, Hg, Pb, Se, and Sn were examined, and their corresponding mass spectra as well as induced fragmentation patterns were recorded. Gas phase sampling of the pure organometallic compounds or their solutions prepared in toluene generated temporally stable signals. For the majority of the compounds, the molecular ion or protonated molecule was detected; noticeable exceptions are the tetra-substituted compounds for which their less-substituted species dominated. The organometallic species were used as model compounds for a systematic investigation of the impact of operating parameters of the DART source, including gas temperature and electrode voltages. In general, results have shown that powering the electrodes designed to remove ions from the DART gas stream results in a reduction in signal intensity for most of the compounds investigated, suggesting that charged species from the plasma play an important role in the ionization process of the test analytes.\n
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\n \n\n \n \n \n \n \n Simulations and Experimental Investigation of Atmospheric Transport in an Ambient Metastable-Induced Chemical Ionization Source.\n \n \n \n\n\n \n Harris, G. A.; and Fernandez, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 81(1): 322–329. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{harris_simulations_2009,\n\ttitle = {Simulations and {Experimental} {Investigation} of {Atmospheric} {Transport} in an {Ambient} {Metastable}-{Induced} {Chemical} {Ionization} {Source}},\n\tvolume = {81},\n\tdoi = {10.1021/ac802117u},\n\tabstract = {Since its inception, Direct Analysis in Real Time (DART) has seen utility in a wide range of applications including chemical reaction monitoring, pharmaceutical screening, and forensic mass spectrometry. Despite the growing interest in DART applications, there has been limited research into the fundamental physiochemical phenomena affecting sampling, ionization, and atmospheric ion transport. Presented here are the first experimentally validated finite element method simulations of an ambient DART-type metastable-induced chemical ionization source. It was found that complex coupled fluid dynamics, heat transfer, and electrostatic phenomena within the sampling region determine the variability in ion transmission efficiencies affecting the overall sensitivity of analysis. Particle tracing plots of a circular acetaminophen tablet placed in various positions and orientations yielded insight into optimal sample placement and evidence for sweet spots conducive to better ion transport. Experiments in a wide range of electric field conditions were performed, finding that under optimum sample placement, sensitivity could be improved by as much as 128\\% if ion mobility contributions were minimized.},\n\tnumber = {1},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Harris, Glenn A. and Fernandez, Facundo M.},\n\tyear = {2009},\n\tkeywords = {simulation},\n\tpages = {322--329},\n}\n\n\n\n
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\n Since its inception, Direct Analysis in Real Time (DART) has seen utility in a wide range of applications including chemical reaction monitoring, pharmaceutical screening, and forensic mass spectrometry. Despite the growing interest in DART applications, there has been limited research into the fundamental physiochemical phenomena affecting sampling, ionization, and atmospheric ion transport. Presented here are the first experimentally validated finite element method simulations of an ambient DART-type metastable-induced chemical ionization source. It was found that complex coupled fluid dynamics, heat transfer, and electrostatic phenomena within the sampling region determine the variability in ion transmission efficiencies affecting the overall sensitivity of analysis. Particle tracing plots of a circular acetaminophen tablet placed in various positions and orientations yielded insight into optimal sample placement and evidence for sweet spots conducive to better ion transport. Experiments in a wide range of electric field conditions were performed, finding that under optimum sample placement, sensitivity could be improved by as much as 128% if ion mobility contributions were minimized.\n
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\n \n\n \n \n \n \n \n Rapid Semi-Quantitative Surface Mapping of Airborne-Dispersed Chemicals Using Mass Spectrometry.\n \n \n \n\n\n \n Grange, A.\n\n\n \n\n\n\n Environmental Forensics, 10(3): 183–195. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_rapid_2009,\n\ttitle = {Rapid {Semi}-{Quantitative} {Surface} {Mapping} of {Airborne}-{Dispersed} {Chemicals} {Using} {Mass} {Spectrometry}},\n\tvolume = {10},\n\tabstract = {Chemicals can be dispersed accidentally, deliberately, or by weather-related events. Rapid mapping of contaminant distributions is necessary to assess exposure risks and to plan remediation, when needed. Ten pulverized aspirin or NoDozTM tablets containing caffeine were dispersed across a concrete driveway using the exhaust port of a shop vacuum cleaner. Water-soaked, cotton swabs were used to collect wipe samples from 100 cm2 areas within a 7 x 12 grid pattern to map the caffeine distribution. An autosampler/Direct Analysis in Real Time (DARTTM)/time-of-flight mass spectrometer was used to acquire ion chromatograms for the [M+H]+ semi-quantitation ion (m/z 195). Prior to analysis, unheated, non-energized helium gas was blown across the swabs to remove debris that could plug the cone orifice. Carry over was mitigated by interspersing wipe sample swabs with water-soaked swabs to provide hot water vapor to clean the region around the cone orifice into the mass spectrometer between sample swabs. Carry over was further reduced relative to the ion abundances from analyte peaks by acquiring data a second time. Remaining carry over was seen as ion abundance plateaus in ion chromatograms before and after each analyte peak. The higher plateau was treated as the baseline for each analyte peak by a macro procedure written in Lotus 123TM. A second macro procedure plotted multi-color, semi-quantitation maps for high, moderate, low, and non-detect levels of caffeine.},\n\tnumber = {3},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, A.H.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {183--195},\n}\n\n\n\n
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\n Chemicals can be dispersed accidentally, deliberately, or by weather-related events. Rapid mapping of contaminant distributions is necessary to assess exposure risks and to plan remediation, when needed. Ten pulverized aspirin or NoDozTM tablets containing caffeine were dispersed across a concrete driveway using the exhaust port of a shop vacuum cleaner. Water-soaked, cotton swabs were used to collect wipe samples from 100 cm2 areas within a 7 x 12 grid pattern to map the caffeine distribution. An autosampler/Direct Analysis in Real Time (DARTTM)/time-of-flight mass spectrometer was used to acquire ion chromatograms for the [M+H]+ semi-quantitation ion (m/z 195). Prior to analysis, unheated, non-energized helium gas was blown across the swabs to remove debris that could plug the cone orifice. Carry over was mitigated by interspersing wipe sample swabs with water-soaked swabs to provide hot water vapor to clean the region around the cone orifice into the mass spectrometer between sample swabs. Carry over was further reduced relative to the ion abundances from analyte peaks by acquiring data a second time. Remaining carry over was seen as ion abundance plateaus in ion chromatograms before and after each analyte peak. The higher plateau was treated as the baseline for each analyte peak by a macro procedure written in Lotus 123TM. A second macro procedure plotted multi-color, semi-quantitation maps for high, moderate, low, and non-detect levels of caffeine.\n
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\n \n\n \n \n \n \n \n Detection of Peroxide and Tetrazine Explosives on Surfaces by Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; Durst, H. D.; Connell, T. R.; and Nilles, J. M.\n\n\n \n\n\n\n American Laboratory Online Edition, 2(2): 1–5. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{laramee_detection_2009,\n\ttitle = {Detection of {Peroxide} and {Tetrazine} {Explosives} on {Surfaces} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {2},\n\tnumber = {2},\n\tjournal = {American Laboratory Online Edition},\n\tauthor = {Laramée, James A. and Durst, H. Dupont and Connell, Theresa R. and Nilles, J. Michael},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1--5},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Direct analysis of curcumin in turmeric by DART-MS.\n \n \n \n\n\n \n Kim, H. J.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,published online. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kim_direct_2009,\n\ttitle = {Direct analysis of curcumin in turmeric by {DART}-{MS}},\n\tissn = {1099-1565},\n\tabstract = {Introduction\nThe new ion source technique, direct analysis in real time (DART) atmospheric pressure ionisation, allows high resolution mass measurements of gas, liquid and solid samples. As DART-MS produces [M + H]+ molecular ions of most compounds, relatively simple and clear mass spectra are obtained even of multi-component samples. In order to take advantage of the capacity of DART-MS for the real time analysis of individual compounds in natural raw materials, a pilot study was performed using the well-known antioxidant botanical drug, turmeric.\n\nObjective\nTo establish the analysis methods of curcumin and its derivatives from various types of samples with DART-MS and compare the efficiency of the method with traditional HPLC method.\n\nResults\nDifferent curcuminoids were successfully detected directly from the raw particles of Curcuma longa. When a turmeric extract was separated on a TLC plate, each band produced molecular ion peaks corresponding to curcumin, demethoxycurcumin and bisdemethoxycurcumin. Molecular ions of curcuminoids in turmeric-containing beverages and curry powder were also efficiently detected. In addition to high efficiency of qualitative analysis, the evaluation of its linearity showed that DART-MS can be applied for semi-quantitative determinations of curcumin over a large range (5-100 µg/mL).\n\nConclusion\nA simple chemical profiling and semi-quantitative method for natural products using DART-MS might be applied to diverse field related quality control of medicinal plants or food ingredients.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Jang, Young Pyo},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {published online},\n}\n\n\n\n
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\n Introduction The new ion source technique, direct analysis in real time (DART) atmospheric pressure ionisation, allows high resolution mass measurements of gas, liquid and solid samples. As DART-MS produces [M + H]+ molecular ions of most compounds, relatively simple and clear mass spectra are obtained even of multi-component samples. In order to take advantage of the capacity of DART-MS for the real time analysis of individual compounds in natural raw materials, a pilot study was performed using the well-known antioxidant botanical drug, turmeric. Objective To establish the analysis methods of curcumin and its derivatives from various types of samples with DART-MS and compare the efficiency of the method with traditional HPLC method. Results Different curcuminoids were successfully detected directly from the raw particles of Curcuma longa. When a turmeric extract was separated on a TLC plate, each band produced molecular ion peaks corresponding to curcumin, demethoxycurcumin and bisdemethoxycurcumin. Molecular ions of curcuminoids in turmeric-containing beverages and curry powder were also efficiently detected. In addition to high efficiency of qualitative analysis, the evaluation of its linearity showed that DART-MS can be applied for semi-quantitative determinations of curcumin over a large range (5-100 µg/mL). Conclusion A simple chemical profiling and semi-quantitative method for natural products using DART-MS might be applied to diverse field related quality control of medicinal plants or food ingredients.\n
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\n \n\n \n \n \n \n \n Elementary Guide to Ionization Methods for Mass Spectrometry− Introduction of Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Konuma, K.\n\n\n \n\n\n\n Bunseki, 9: 464–467. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{konuma_elementary_2009,\n\ttitle = {Elementary {Guide} to {Ionization} {Methods} for {Mass} {Spectrometry}− {Introduction} of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {9},\n\tjournal = {Bunseki},\n\tauthor = {Konuma, K.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {464--467},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n The Observation of Molecular Ions and Analysis of Nonpolar Compounds with the Direct Analysis in Real Time Ion Source.\n \n \n \n\n\n \n Cody, R. B.\n\n\n \n\n\n\n Analytical Chemistry, 81(3): 1101–1107. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cody_observation_2009,\n\ttitle = {The {Observation} of {Molecular} {Ions} and {Analysis} of {Nonpolar} {Compounds} with the {Direct} {Analysis} in {Real} {Time} {Ion} {Source}},\n\tvolume = {81},\n\tdoi = {10.1021/ac8022108},\n\tabstract = {Positive ions in the direct analysis in real time (DART) ion source are commonly formed by proton transfer. However, the DART source is similar to atmospheric pressure photoionization (APPI) in that it can produce molecular ions as well as protonated molecules, although the two sources differ in the initial ion formation process. This report discusses some of the factors that influence molecular ion formation in DART and shows how the DART source can be used to analyze “difficult” or nonpolar compounds such as alkanes and cholesterol. Trace reagent ions including NO+ and O2+· formed from atmospheric gases are shown to play important roles in DART ionization. The use of the DART source as a gas chromatography/mass spectrometry (GC/MS) interface is demonstrated to show the difference between mass spectra obtained using conditions that favor proton transfer and those that favor molecular ion formation.},\n\tnumber = {3},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Cody, R. B.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1101--1107},\n}\n\n\n\n
\n
\n\n\n
\n Positive ions in the direct analysis in real time (DART) ion source are commonly formed by proton transfer. However, the DART source is similar to atmospheric pressure photoionization (APPI) in that it can produce molecular ions as well as protonated molecules, although the two sources differ in the initial ion formation process. This report discusses some of the factors that influence molecular ion formation in DART and shows how the DART source can be used to analyze “difficult” or nonpolar compounds such as alkanes and cholesterol. Trace reagent ions including NO+ and O2+· formed from atmospheric gases are shown to play important roles in DART ionization. The use of the DART source as a gas chromatography/mass spectrometry (GC/MS) interface is demonstrated to show the difference between mass spectra obtained using conditions that favor proton transfer and those that favor molecular ion formation.\n
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\n \n\n \n \n \n \n \n Determination of the Presence or Absence of Sulfur Materials in Drywall Using Direct Analysis in Real Time in Conjunction with an Accurate-Mass Time-of-Flight Mass Spectrometer.\n \n \n \n\n\n \n Curtis, M. E.; Jones, P. R.; Sparkman, O. D.; and Cody, R. B.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(11): 2082–2086. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{curtis_determination_2009,\n\ttitle = {Determination of the {Presence} or {Absence} of {Sulfur} {Materials} in {Drywall} {Using} {Direct} {Analysis} in {Real} {Time} in {Conjunction} with an {Accurate}-{Mass} {Time}-of-{Flight} {Mass} {Spectrometer}},\n\tvolume = {20},\n\tissn = {1044-0305},\n\tabstract = {Based on the concern about the presence of sulfur materials being in drywall (wallboard), a quick and reliable test to confirm the presence or absence of these materials using direct analysis in real time (DART) mass spectrometry in conjunction with an accurate-mass time-of-flight (TOF) mass spectrometer has been developed and is described here.},\n\tnumber = {11},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Curtis, Matthew E. and Jones, Patrick R. and Sparkman, O. David and Cody, Robert B.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {2082--2086},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Based on the concern about the presence of sulfur materials being in drywall (wallboard), a quick and reliable test to confirm the presence or absence of these materials using direct analysis in real time (DART) mass spectrometry in conjunction with an accurate-mass time-of-flight (TOF) mass spectrometer has been developed and is described here.\n
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\n \n\n \n \n \n \n \n \"Soft\" or \"hard\" ionisation? Investigation of metastable gas temperature effect on direct analysis in real-time analysis of Voriconazole.\n \n \n \n\n\n \n Lapthorn, C.; and Pullen, F.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 15(5): 587–593. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{lapthorn_soft_2009,\n\ttitle = {"{Soft}" or "hard" ionisation? {Investigation} of metastable gas temperature effect on direct analysis in real-time analysis of {Voriconazole}},\n\tvolume = {15},\n\tissn = {1469-0667},\n\tdoi = {10.1255/ejms.1022},\n\tabstract = {The performance of the direct analysis in real-time (DART) technique was evaluated across a range of metastable gas temperatures for a pharmaceutical compound, Voriconazole, in order to investigate the effect of metastable gas temperature on molecular ion intensity and fragmentation. The DART source has been used to analyse a range of analytes and from a range of matrices including drugs in solid tablet form and preparations, active ingredients in ointment, naturally occurring plant alkaloids, flavours and fragrances, from thin layer chromatography (TLC) plates, melting point tubes and biological matrices including hair, urine and blood. The advantages of this technique include rapid analysis time (as little as 5 s), a reduction in sample preparation requirements, elimination of mobile phase requirement and analysis of samples not typically amenable to atmospheric pressure ionisation (API) techniques. This technology has therefore been proposed as an everyday tool for identification of components in crude organic reaction mixtures.},\n\tnumber = {5},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Lapthorn, Cris and Pullen, Frank},\n\tyear = {2009},\n\tkeywords = {Waters Quad},\n\tpages = {587--593},\n}\n\n\n\n
\n
\n\n\n
\n The performance of the direct analysis in real-time (DART) technique was evaluated across a range of metastable gas temperatures for a pharmaceutical compound, Voriconazole, in order to investigate the effect of metastable gas temperature on molecular ion intensity and fragmentation. The DART source has been used to analyse a range of analytes and from a range of matrices including drugs in solid tablet form and preparations, active ingredients in ointment, naturally occurring plant alkaloids, flavours and fragrances, from thin layer chromatography (TLC) plates, melting point tubes and biological matrices including hair, urine and blood. The advantages of this technique include rapid analysis time (as little as 5 s), a reduction in sample preparation requirements, elimination of mobile phase requirement and analysis of samples not typically amenable to atmospheric pressure ionisation (API) techniques. This technology has therefore been proposed as an everyday tool for identification of components in crude organic reaction mixtures.\n
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\n \n\n \n \n \n \n \n Screening of Cocaine and Its Metabolites in Human Urine Samples by Direct Analysis in Real-Time Source Coupled to Time-of-Flight Mass Spectrometry After Online Preconcentration Utilizing Microextraction by Packed Sorbent.\n \n \n \n\n\n \n Jagerdeo, E.; and Abdel-Rehim, M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(5): 891–899. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{jagerdeo_screening_2009,\n\ttitle = {Screening of {Cocaine} and {Its} {Metabolites} in {Human} {Urine} {Samples} by {Direct} {Analysis} in {Real}-{Time} {Source} {Coupled} to {Time}-of-{Flight} {Mass} {Spectrometry} {After} {Online} {Preconcentration} {Utilizing} {Microextraction} by {Packed} {Sorbent}},\n\tvolume = {20},\n\tdoi = {10.1016/j.jasms.2009.01.010},\n\tabstract = {Microextraction by packed sorbent (MEPS) has been evaluated for fast screening of drugs of abuse with mass spectrometric detection. In this study, C8 (octyl-silica, useful for nonpolar to moderately polar compounds), ENV+ (hydroxylated polystyrene-divinylbenzene copolymer, for extraction of aliphatic and aromatic polar compounds), Oasis MCX (sulfonic-poly(divinylbenzene-co-N-polyvinyl-pyrrolidone) copolymer), and Clean Screen DAU (mixed mode, ion exchanger for acidic and basic compounds) were used as sorbents for the MEPS. The focus was on fast extraction and preconcentration of the drugs with rapid analysis using a time-of-flight (TOF) mass spectrometer as the detector with direct analysis in a real-time (DART) source. The combination of an analysis time of less than 1 min and accurate mass of the first monoisotopic peak of the analyte and the relative abundances of the peaks in the isotopic clusters provided reliable information for identification. Furthermore, the study sought to demonstrate that it is possible to quantify the analyte of interest using a DART source when an internal standard is used. Of all the sorbents used in the study, Clean Screen DAU performed best for extraction of the analytes from urine. Using Clean Screen DAU to extract spiked samples containing the drugs, linearity was demonstrated for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene with average ranges of: 65–910, 75–1100, 95–1200, and 75–1100 ng/mL (n = 5), respectively. The limits of detection (LOD) for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene were 22.9 ng/mL, 23.7 ng/mL, 4.0 ng/mL, and 9.8 ng/mL respectively, using a signal-to-noise ratio of 3:1.},\n\tnumber = {5},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Jagerdeo, Eshwar and Abdel-Rehim, Mohamed},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {891--899},\n}\n\n\n\n
\n
\n\n\n
\n Microextraction by packed sorbent (MEPS) has been evaluated for fast screening of drugs of abuse with mass spectrometric detection. In this study, C8 (octyl-silica, useful for nonpolar to moderately polar compounds), ENV+ (hydroxylated polystyrene-divinylbenzene copolymer, for extraction of aliphatic and aromatic polar compounds), Oasis MCX (sulfonic-poly(divinylbenzene-co-N-polyvinyl-pyrrolidone) copolymer), and Clean Screen DAU (mixed mode, ion exchanger for acidic and basic compounds) were used as sorbents for the MEPS. The focus was on fast extraction and preconcentration of the drugs with rapid analysis using a time-of-flight (TOF) mass spectrometer as the detector with direct analysis in a real-time (DART) source. The combination of an analysis time of less than 1 min and accurate mass of the first monoisotopic peak of the analyte and the relative abundances of the peaks in the isotopic clusters provided reliable information for identification. Furthermore, the study sought to demonstrate that it is possible to quantify the analyte of interest using a DART source when an internal standard is used. Of all the sorbents used in the study, Clean Screen DAU performed best for extraction of the analytes from urine. Using Clean Screen DAU to extract spiked samples containing the drugs, linearity was demonstrated for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene with average ranges of: 65–910, 75–1100, 95–1200, and 75–1100 ng/mL (n = 5), respectively. The limits of detection (LOD) for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene were 22.9 ng/mL, 23.7 ng/mL, 4.0 ng/mL, and 9.8 ng/mL respectively, using a signal-to-noise ratio of 3:1.\n
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\n \n\n \n \n \n \n \n Simple and Rapid Screening for Psychotropic Natural Products Using Direct Analysis in Real Time (DART)-TOFMS.\n \n \n \n\n\n \n Kawamura, M.; Kikura-Hanajiri, R.; and Goda, Y.\n\n\n \n\n\n\n Yakugaku Zasshi, 129: 719–725. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{kawamura_simple_2009,\n\ttitle = {Simple and {Rapid} {Screening} for {Psychotropic} {Natural} {Products} {Using} {Direct} {Analysis} in {Real} {Time} ({DART})-{TOFMS}},\n\tvolume = {129},\n\tdoi = {10.1248/yakushi.129.719},\n\tabstract = {Direct Analysis in Real Time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. To investigate the trend of non-controlled psychotropic plants of abuse in Japan, a rapid screening method, without sample preparation, was developed using DART-time of flight mass spectrometer (TOFMS) for plant products. The major psychotropic constituents of these products were determined using liquid chromatography-mass spectrometry (LC/MS). As a result of the DART-TOFMS analyses of 36 products, the protonated molecular ions [M+H]+, corresponding to 6 kinds of major hallucinogenic constituents (mescaline, salvinorin A, N,N-dimethyltryptamine, harmine, harmaline and lysergamide), were detected in 21 products. It was possible to estimate their accurate elemental compositions through exact mass measurements. These results were consistent with those of the LC/MS analyses and the contents of the 6 psychotropic constituents were in the range from 0.05 to 45 μg/mg. Typical controlled narcotic drugs, tetrahydrocannabinol, opioid alkaloids and psilocin were also directly detected in marijuana cigarette, opium gum and magic mushroom respectively. Although it is difficult to estimate the matrix effects caused by other plant ingredients, the DART-TOFMS could be useful as a simple and rapid screening method for the targeted psychotropic natural products, because it provides the molecular information of the target compounds without time-consuming extraction and pre-treatment steps.},\n\tjournal = {Yakugaku Zasshi},\n\tauthor = {Kawamura, M. and Kikura-Hanajiri, R. and Goda, Y.},\n\tyear = {2009},\n\tkeywords = {DART; AccuTOF, Direct Analysis in Real Time (DART); TOFMS; LC/MS; psychotropic plants},\n\tpages = {719--725},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. To investigate the trend of non-controlled psychotropic plants of abuse in Japan, a rapid screening method, without sample preparation, was developed using DART-time of flight mass spectrometer (TOFMS) for plant products. The major psychotropic constituents of these products were determined using liquid chromatography-mass spectrometry (LC/MS). As a result of the DART-TOFMS analyses of 36 products, the protonated molecular ions [M+H]+, corresponding to 6 kinds of major hallucinogenic constituents (mescaline, salvinorin A, N,N-dimethyltryptamine, harmine, harmaline and lysergamide), were detected in 21 products. It was possible to estimate their accurate elemental compositions through exact mass measurements. These results were consistent with those of the LC/MS analyses and the contents of the 6 psychotropic constituents were in the range from 0.05 to 45 μg/mg. Typical controlled narcotic drugs, tetrahydrocannabinol, opioid alkaloids and psilocin were also directly detected in marijuana cigarette, opium gum and magic mushroom respectively. Although it is difficult to estimate the matrix effects caused by other plant ingredients, the DART-TOFMS could be useful as a simple and rapid screening method for the targeted psychotropic natural products, because it provides the molecular information of the target compounds without time-consuming extraction and pre-treatment steps.\n
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\n \n\n \n \n \n \n \n \n Validation of the Direct Analysis in Real Time Source for Use in Forensic Drug Screening.\n \n \n \n \n\n\n \n Steiner, R. R.; and Larson, R. L.\n\n\n \n\n\n\n Journal of Forensic Sciences, 54(3): 617–622. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{steiner_validation_2009,\n\ttitle = {Validation of the {Direct} {Analysis} in {Real} {Time} {Source} for {Use} in {Forensic} {Drug} {Screening}},\n\tvolume = {54},\n\tissn = {00221198, 15564029},\n\turl = {http://doi.wiley.com/10.1111/j.1556-4029.2009.01006.x},\n\tdoi = {10.1111/j.1556-4029.2009.01006.x},\n\tabstract = {The Direct Analysis in Real Time (DART) ion source is a relatively new mass spectrometry technique that is seeing widespread use in chemical analyses world-wide. DART studies include such diverse topics as analysis of flavors and fragrances, melamine in contaminated dog food, differentiation of writing inks, characterization of solid counterfeit drugs, and as a detector for planar chromatography. Validation of this new technique for the rapid screening of forensic evidence for drugs of abuse, utilizing the DART source coupled to an accurate mass time-of-flight mass spectrometer, was conducted. The study consisted of the determination of the lower limit of detection for the method, determination of selectivity and a comparison of this technique to established analytical protocols. Examples of DART spectra are included. The results of this study have allowed the Virginia Department of Forensic Science to incorporate this new technique into their analysis scheme for the screening of solid dosage forms of drugs of abuse.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Steiner, Robert R. and Larson, Robyn L.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {617--622},\n}\n\n\n\n
\n
\n\n\n
\n The Direct Analysis in Real Time (DART) ion source is a relatively new mass spectrometry technique that is seeing widespread use in chemical analyses world-wide. DART studies include such diverse topics as analysis of flavors and fragrances, melamine in contaminated dog food, differentiation of writing inks, characterization of solid counterfeit drugs, and as a detector for planar chromatography. Validation of this new technique for the rapid screening of forensic evidence for drugs of abuse, utilizing the DART source coupled to an accurate mass time-of-flight mass spectrometer, was conducted. The study consisted of the determination of the lower limit of detection for the method, determination of selectivity and a comparison of this technique to established analytical protocols. Examples of DART spectra are included. The results of this study have allowed the Virginia Department of Forensic Science to incorporate this new technique into their analysis scheme for the screening of solid dosage forms of drugs of abuse.\n
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\n \n\n \n \n \n \n \n \n Quantitation of Chemical Warfare Agents Using the Direct Analysis in Real Time (DART) Technique.\n \n \n \n \n\n\n \n Nilles, J. M.; Connell, T. R.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 81(16): 6744–6749. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nilles_quantitation_2009,\n\ttitle = {Quantitation of {Chemical} {Warfare} {Agents} {Using} the {Direct} {Analysis} in {Real} {Time} ({DART}) {Technique}},\n\tvolume = {81},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac900682f},\n\tdoi = {10.1021/ac900682f},\n\tabstract = {Direct analysis in real time (DART) is an ion source that permits rapid mass spectrometric detection of gases, liquids, and solids in open air under ambient conditions. It is a unique technology in the field of chemical weapons detectors in that it does not require a vapor pressure, does not require sample preparation, and is nondestructive to the original sample. While the DART technique has had success as a first line instrument of detection, there have been lingering doubts over the technique’s quantitative reliability and reproducibility. Here, we demonstrate its capability to produce linear calibration curves (R2 = 0.99 or better) for the nerve agents GA, GB, and VX as well as the blister agent HD. Independently prepared check standards measured against these curves typically have recovery errors less than 3\\%. We show the DART instrument response to be linear over roughly 3 orders of magnitude. Furthermore, this study shows that averaging as few as three measurements for each data point is sufficient to produce high quality calibration curves, thus reducing data collection time and providing quicker results.},\n\tnumber = {16},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nilles, J. Michael and Connell, Theresa R. and Durst, H. Dupont},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {6744--6749},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is an ion source that permits rapid mass spectrometric detection of gases, liquids, and solids in open air under ambient conditions. It is a unique technology in the field of chemical weapons detectors in that it does not require a vapor pressure, does not require sample preparation, and is nondestructive to the original sample. While the DART technique has had success as a first line instrument of detection, there have been lingering doubts over the technique’s quantitative reliability and reproducibility. Here, we demonstrate its capability to produce linear calibration curves (R2 = 0.99 or better) for the nerve agents GA, GB, and VX as well as the blister agent HD. Independently prepared check standards measured against these curves typically have recovery errors less than 3%. We show the DART instrument response to be linear over roughly 3 orders of magnitude. Furthermore, this study shows that averaging as few as three measurements for each data point is sufficient to produce high quality calibration curves, thus reducing data collection time and providing quicker results.\n
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\n \n\n \n \n \n \n \n \n Assessing direct analysis in real-time-mass spectrometry (DART-MS) for the rapid identification of additives in food packaging.\n \n \n \n \n\n\n \n Ackerman, L.; Noonan, G.; and Begley, T.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 26(12): 1611–1618. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AssessingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{ackerman_assessing_2009,\n\ttitle = {Assessing direct analysis in real-time-mass spectrometry ({DART}-{MS}) for the rapid identification of additives in food packaging},\n\tvolume = {26},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/02652030903232753},\n\tdoi = {10.1080/02652030903232753},\n\tabstract = {The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.\nThe ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.},\n\tnumber = {12},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Ackerman, L.K. and Noonan, G.O. and Begley, T.H.},\n\tyear = {2009},\n\tkeywords = {in-house validation; screening assays; food-contact materials; packaging additives; paper; plastics; Waters Triple Quad},\n\tpages = {1611--1618},\n}\n\n\n\n
\n
\n\n\n
\n The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement. The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.\n
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\n \n\n \n \n \n \n \n \n Bioanalysis without Sample Cleanup or Chromatography: The Evaluation and Initial Implementation of Direct Analysis in Real Time Ionization Mass Spectrometry for the Quantification of Drugs in Biological Matrixes.\n \n \n \n \n\n\n \n Yu, S.; Crawford, E.; Tice, J.; Musselman, B.; and Wu, J.\n\n\n \n\n\n\n Analytical Chemistry, 81(1): 193–202. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"BioanalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{yu_bioanalysis_2009,\n\ttitle = {Bioanalysis without {Sample} {Cleanup} or {Chromatography}: {The} {Evaluation} and {Initial} {Implementation} of {Direct} {Analysis} in {Real} {Time} {Ionization} {Mass} {Spectrometry} for the {Quantification} of {Drugs} in {Biological} {Matrixes}},\n\tvolume = {81},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Bioanalysis without {Sample} {Cleanup} or {Chromatography}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac801734t},\n\tdoi = {10.1021/ac801734t},\n\tabstract = {Two key bottlenecks in pharmaceutical bioanalysis are sample cleanup and chromatographic separations. Although multiple approaches have been developed in the past decade to either shorten or multiplex these steps, they remain the rate limiting steps as ADME (Absorption, Distribution, Metabolism, and Excretion) property screening is being routinely incorporated into the drug discovery process. In this work, a novel system incorporating an automated Direct Analysis in Real Time (DART) ionization source coupled with a triple-quadrupole mass spectrometer has been developed and evaluated for quantitative bioanalysis. This system has the capability of directly analyzing samples from their biological matrixes and therefore potentially eliminating the need for sample cleanup and chromatographic separations. A LEAP Technologies autosampler was customized to perform the automated sample introduction into the DART beam with high precision, which significantly improved the reproducibility of the method. Additional pumping was applied to the atmospheric pressure inlet on the mass spectrometer to compensate for the increased vacuum load because of the use of high-flow helium by the DART. This resulted in an improvement of detection sensitivity by a factor of 10 to 100 times. Matrix effects for a diversified class of compounds were evaluated directly from untreated raw plasma and were found to range from approximately 0.05 to 0.7. Precision and accuracy were also tested for multiple test compounds over a dynamic range of four orders of magnitude. The system has been used to analyze biological samples from both in vivo pharmacokinetic studies and in vitro microsomal/S9 stability studies, and the results generated were similar to those obtained with conventional LC/MS/MS methods. Overall, this new automated DART-triple quadrupole mass spectrometer system has demonstrated significant potential for high-throughput bioanalysis.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Yu, Shaoxia and Crawford, Elizabeth and Tice, Joe and Musselman, Brian and Wu, Jing-Tao},\n\tyear = {2009},\n\tkeywords = {Applied Biosystems Triple Quad},\n\tpages = {193--202},\n}\n\n\n\n
\n
\n\n\n
\n Two key bottlenecks in pharmaceutical bioanalysis are sample cleanup and chromatographic separations. Although multiple approaches have been developed in the past decade to either shorten or multiplex these steps, they remain the rate limiting steps as ADME (Absorption, Distribution, Metabolism, and Excretion) property screening is being routinely incorporated into the drug discovery process. In this work, a novel system incorporating an automated Direct Analysis in Real Time (DART) ionization source coupled with a triple-quadrupole mass spectrometer has been developed and evaluated for quantitative bioanalysis. This system has the capability of directly analyzing samples from their biological matrixes and therefore potentially eliminating the need for sample cleanup and chromatographic separations. A LEAP Technologies autosampler was customized to perform the automated sample introduction into the DART beam with high precision, which significantly improved the reproducibility of the method. Additional pumping was applied to the atmospheric pressure inlet on the mass spectrometer to compensate for the increased vacuum load because of the use of high-flow helium by the DART. This resulted in an improvement of detection sensitivity by a factor of 10 to 100 times. Matrix effects for a diversified class of compounds were evaluated directly from untreated raw plasma and were found to range from approximately 0.05 to 0.7. Precision and accuracy were also tested for multiple test compounds over a dynamic range of four orders of magnitude. The system has been used to analyze biological samples from both in vivo pharmacokinetic studies and in vitro microsomal/S9 stability studies, and the results generated were similar to those obtained with conventional LC/MS/MS methods. Overall, this new automated DART-triple quadrupole mass spectrometer system has demonstrated significant potential for high-throughput bioanalysis.\n
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\n \n\n \n \n \n \n \n \n Identification of active ingredients in dietary supplements using non-destructive mass spectrometry and liquid chromatography–mass spectrometry.\n \n \n \n \n\n\n \n Saka, K.; Konuma, K.; Asai, S.; Unuma, K.; Nakajima, M.; and Yoshida, K.\n\n\n \n\n\n\n Forensic Science International, 191(1-3): e5–e10. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{saka_identification_2009,\n\ttitle = {Identification of active ingredients in dietary supplements using non-destructive mass spectrometry and liquid chromatography–mass spectrometry},\n\tvolume = {191},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073809002898},\n\tdoi = {10.1016/j.forsciint.2009.07.007},\n\tabstract = {A mid-forties woman purchased seven different dietary supplements from Thailand on the internet and subsequently died after taking these supplements. Since there were no ingredient labels on the supplements, we identified the active ingredients using direct analysis in real time–mass spectrometry (DART–MS), direct exposure probe–MS (DEP–MS), and liquid chromatography–MS (LC–MS). DART–MS gives exact molecular weights and DEP–MS shows the fragmentation of a molecule by electron ionization. Analyses using these two instruments are rapid and do not require extraction of the sample. The compounds predicted by DART–MS and DEP–MS were confirmed by LC–MS and the active ingredients of the seven dietary supplements were identified.},\n\tnumber = {1-3},\n\turldate = {2012-04-18},\n\tjournal = {Forensic Science International},\n\tauthor = {Saka, Kanju and Konuma, Kiyotaka and Asai, Shigehiro and Unuma, Kana and Nakajima, Makoto and Yoshida, Ken-ichi},\n\tyear = {2009},\n\tkeywords = {Dietary supplements; Direct analysis in real time; Direct exposure probe; Liquid chromatography–mass spectrometry; AccuTOF},\n\tpages = {e5--e10},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n A mid-forties woman purchased seven different dietary supplements from Thailand on the internet and subsequently died after taking these supplements. Since there were no ingredient labels on the supplements, we identified the active ingredients using direct analysis in real time–mass spectrometry (DART–MS), direct exposure probe–MS (DEP–MS), and liquid chromatography–MS (LC–MS). DART–MS gives exact molecular weights and DEP–MS shows the fragmentation of a molecule by electron ionization. Analyses using these two instruments are rapid and do not require extraction of the sample. The compounds predicted by DART–MS and DEP–MS were confirmed by LC–MS and the active ingredients of the seven dietary supplements were identified.\n
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\n \n\n \n \n \n \n \n Pro-Inflammatory Enzymes, Cyclooxygenase 1, Cyclooxygenase 2, and 5-Lipooxygenase, Inhibited by Stabilized Rice Bran Extracts.\n \n \n \n\n\n \n Roschek Jr., B.; Fink, R. C.; Li, D.; McMichael, M.; Tower, C. M.; Smith, R. D.; and Alberte, R. S.\n\n\n \n\n\n\n Journal of Medicinal Food, 12(3): 615–623. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{roschek_jr._pro-inflammatory_2009,\n\ttitle = {Pro-{Inflammatory} {Enzymes}, {Cyclooxygenase} 1, {Cyclooxygenase} 2, and 5-{Lipooxygenase}, {Inhibited} by {Stabilized} {Rice} {Bran} {Extracts}},\n\tvolume = {12},\n\tdoi = {10.1089=jmf.2008.0133},\n\tabstract = {Rice bran, the outer bran and germ of the kernel and a by-product of rice milling, is rich in phytonutrients but\nhas been underutilized because of lipid content instability. New methods for the processing of rice bran have yielded a\nstabilized form that is increasingly used in foods and dietary supplements. Recent studies have documented a role for\nstabilized rice bran (SRB) in treating diabetes and arthritis, although little is known of the bioactive compounds that impart\nthese health benefits. Here we characterize the chemical composition of three extracts of SRB and identify the functional\nbioactives contributing to the inhibitory properties against three key pro-inflammatory enzymes (cyclooxygenase [COX] 1,\nCOX2, and 5-lipoxygenase [5-LOX]) that control the inflammatory cascade involved in impaired joint health, pain, and\narthritis. One extract (SRB-AI) demonstrated significant COX1 and COX2 inhibitory activities with 50\\% inhibitory concentration\n(IC50) values for COX1 and COX2 of 305 and 29 mg=mL, respectively, but no 5-LOX inhibition. The second\nextract (SRB-AII) inhibited COX1, COX2, and 5-LOX with IC50 values of 310, 19, and 396 mg=mL, respectively. The third\nextract (SRB-AIII), a blend of SRB-AI and SRB-AIII, inhibited COX1, COX2, and 5-LOX with respective IC50 values of 48,\n11, and 197 mg=mL. Analysis of the extracts by direct analysis in real time time of flight-mass spectrometry revealed that\nSRB-AI, SRB-AII, and SRB-AIII contain over 620, 770, and 810 compounds, respectively. Of these, 17 were identified as key\nbioactives for COX and=or LOX inhibition. These SRB extracts have applications for functional foods and dietary supplements\nfor control of inflammation and joint health.},\n\tnumber = {3},\n\tjournal = {Journal of Medicinal Food},\n\tauthor = {Roschek Jr., Bill and Fink, Ryan C. and Li, Dan and McMichael, Matthew and Tower, Christine M. and Smith, Robert D. and Alberte, Randall S.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {615--623},\n}\n\n\n\n
\n
\n\n\n
\n Rice bran, the outer bran and germ of the kernel and a by-product of rice milling, is rich in phytonutrients but has been underutilized because of lipid content instability. New methods for the processing of rice bran have yielded a stabilized form that is increasingly used in foods and dietary supplements. Recent studies have documented a role for stabilized rice bran (SRB) in treating diabetes and arthritis, although little is known of the bioactive compounds that impart these health benefits. Here we characterize the chemical composition of three extracts of SRB and identify the functional bioactives contributing to the inhibitory properties against three key pro-inflammatory enzymes (cyclooxygenase [COX] 1, COX2, and 5-lipoxygenase [5-LOX]) that control the inflammatory cascade involved in impaired joint health, pain, and arthritis. One extract (SRB-AI) demonstrated significant COX1 and COX2 inhibitory activities with 50% inhibitory concentration (IC50) values for COX1 and COX2 of 305 and 29 mg=mL, respectively, but no 5-LOX inhibition. The second extract (SRB-AII) inhibited COX1, COX2, and 5-LOX with IC50 values of 310, 19, and 396 mg=mL, respectively. The third extract (SRB-AIII), a blend of SRB-AI and SRB-AIII, inhibited COX1, COX2, and 5-LOX with respective IC50 values of 48, 11, and 197 mg=mL. Analysis of the extracts by direct analysis in real time time of flight-mass spectrometry revealed that SRB-AI, SRB-AII, and SRB-AIII contain over 620, 770, and 810 compounds, respectively. Of these, 17 were identified as key bioactives for COX and=or LOX inhibition. These SRB extracts have applications for functional foods and dietary supplements for control of inflammation and joint health.\n
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\n \n\n \n \n \n \n \n \n An Improved Protocol for the Analysis of Alcohols by Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Nilles, J.; and Connell, T.\n\n\n \n\n\n\n American Laboratory, 41(7): 25–27. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramee_improved_2009,\n\ttitle = {An {Improved} {Protocol} for the {Analysis} of {Alcohols} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {41},\n\turl = {http://www.americanlaboratory.com/914-Application-Notes/673-An-Improved-Protocol-for-the-Analysis-of-Alcohols-by-Direct-Analysis-in-Real-Time-Mass-Spectrometry/},\n\tabstract = {It was previously reported1 that when Direct Analysis in Real Time (DART™) (JEOL USA, Inc., Peabody, MA) mass spectrometry was applied to the analysis of very pure alcohols, their mass spectra were unexpectedly complicated. The plethora of peaks was found to be a DART-induced artifact that resulted from the open-air nature of the technique. This problem was solved by converting the alcohol into its corresponding carbamate via an N-hydro-C-alkoxy-addition reaction (reaction 1) with phenyl isocyanate:\n\nROH + C6H5NCO → RO−C(O)NHC6H5 (1)\n\nAlthough this reaction conveniently allows alcohols to be DART’ed, the reaction time ranges from 1 to 16 hr. This obviously led the authors to test the hypothesis that shorter reaction times can be achieved by using activated phenyl isocyanates with proper ring substitution. It is now timely to report these results.},\n\tnumber = {7},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D. and Nilles, J.M. and Connell, T.R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {25--27},\n}\n\n\n\n
\n
\n\n\n
\n It was previously reported1 that when Direct Analysis in Real Time (DART™) (JEOL USA, Inc., Peabody, MA) mass spectrometry was applied to the analysis of very pure alcohols, their mass spectra were unexpectedly complicated. The plethora of peaks was found to be a DART-induced artifact that resulted from the open-air nature of the technique. This problem was solved by converting the alcohol into its corresponding carbamate via an N-hydro-C-alkoxy-addition reaction (reaction 1) with phenyl isocyanate: ROH + C6H5NCO → RO−C(O)NHC6H5 (1) Although this reaction conveniently allows alcohols to be DART’ed, the reaction time ranges from 1 to 16 hr. This obviously led the authors to test the hypothesis that shorter reaction times can be achieved by using activated phenyl isocyanates with proper ring substitution. It is now timely to report these results.\n
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\n \n\n \n \n \n \n \n Screening of Cocaine and Its Metabolites in Human Urine Samples by Direct Analysis in Real-Time Source Coupled to Time-of-Flight Mass Spectrometry After Online Preconcentration Utilizing Microextraction by Packed Sorbent.\n \n \n \n\n\n \n Jagerdeo, E.; and Abdel-Rehim, M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(5): 891–899. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{jagerdeo_screening_2009,\n\ttitle = {Screening of {Cocaine} and {Its} {Metabolites} in {Human} {Urine} {Samples} by {Direct} {Analysis} in {Real}-{Time} {Source} {Coupled} to {Time}-of-{Flight} {Mass} {Spectrometry} {After} {Online} {Preconcentration} {Utilizing} {Microextraction} by {Packed} {Sorbent}},\n\tvolume = {20},\n\tdoi = {10.1016/j.jasms.2009.01.010},\n\tabstract = {Microextraction by packed sorbent (MEPS) has been evaluated for fast screening of drugs of abuse with mass spectrometric detection. In this study, C8 (octyl-silica, useful for nonpolar to moderately polar compounds), ENV+ (hydroxylated polystyrene-divinylbenzene copolymer, for extraction of aliphatic and aromatic polar compounds), Oasis MCX (sulfonic-poly(divinylbenzene-co-N-polyvinyl-pyrrolidone) copolymer), and Clean Screen DAU (mixed mode, ion exchanger for acidic and basic compounds) were used as sorbents for the MEPS. The focus was on fast extraction and preconcentration of the drugs with rapid analysis using a time-of-flight (TOF) mass spectrometer as the detector with direct analysis in a real-time (DART) source. The combination of an analysis time of less than 1 min and accurate mass of the first monoisotopic peak of the analyte and the relative abundances of the peaks in the isotopic clusters provided reliable information for identification. Furthermore, the study sought to demonstrate that it is possible to quantify the analyte of interest using a DART source when an internal standard is used. Of all the sorbents used in the study, Clean Screen DAU performed best for extraction of the analytes from urine. Using Clean Screen DAU to extract spiked samples containing the drugs, linearity was demonstrated for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene with average ranges of: 65–910, 75–1100, 95–1200, and 75–1100 ng/mL (n = 5), respectively. The limits of detection (LOD) for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene were 22.9 ng/mL, 23.7 ng/mL, 4.0 ng/mL, and 9.8 ng/mL respectively, using a signal-to-noise ratio of 3:1.},\n\tnumber = {5},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Jagerdeo, Eshwar and Abdel-Rehim, Mohamed},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {891--899},\n}\n\n\n\n
\n
\n\n\n
\n Microextraction by packed sorbent (MEPS) has been evaluated for fast screening of drugs of abuse with mass spectrometric detection. In this study, C8 (octyl-silica, useful for nonpolar to moderately polar compounds), ENV+ (hydroxylated polystyrene-divinylbenzene copolymer, for extraction of aliphatic and aromatic polar compounds), Oasis MCX (sulfonic-poly(divinylbenzene-co-N-polyvinyl-pyrrolidone) copolymer), and Clean Screen DAU (mixed mode, ion exchanger for acidic and basic compounds) were used as sorbents for the MEPS. The focus was on fast extraction and preconcentration of the drugs with rapid analysis using a time-of-flight (TOF) mass spectrometer as the detector with direct analysis in a real-time (DART) source. The combination of an analysis time of less than 1 min and accurate mass of the first monoisotopic peak of the analyte and the relative abundances of the peaks in the isotopic clusters provided reliable information for identification. Furthermore, the study sought to demonstrate that it is possible to quantify the analyte of interest using a DART source when an internal standard is used. Of all the sorbents used in the study, Clean Screen DAU performed best for extraction of the analytes from urine. Using Clean Screen DAU to extract spiked samples containing the drugs, linearity was demonstrated for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene with average ranges of: 65–910, 75–1100, 95–1200, and 75–1100 ng/mL (n = 5), respectively. The limits of detection (LOD) for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene were 22.9 ng/mL, 23.7 ng/mL, 4.0 ng/mL, and 9.8 ng/mL respectively, using a signal-to-noise ratio of 3:1.\n
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\n \n\n \n \n \n \n \n Rapid and nondestructive analysis of phthalic acid esters in toys made of poly(vinyl chloride) by direct analysis in real time single-quadrupole mass spectrometry.\n \n \n \n\n\n \n Rothenbacher, T.; and Schwack, W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 23(17): 2829–2835. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{rothenbacher_rapid_2009,\n\ttitle = {Rapid and nondestructive analysis of phthalic acid esters in toys made of poly(vinyl chloride) by direct analysis in real time single-quadrupole mass spectrometry},\n\tvolume = {23},\n\tissn = {1097-0231},\n\tabstract = {In the European Community, selected phthalic acid esters (PAE) are restricted in their use for the manufacture of toys and childcare articles to a content of 0.1\\% by weight. As PAE are mainly used as plasticisers for poly(vinyl chloride) (PVC), a rapid screening method for PVC samples with direct analysis in real time ionisation and single-quadrupole mass spectrometry (DART-MS) was developed. Using the ions for the protonated molecules, a limit of detection (LOD) of 0.05\\% was obtained for benzyl butyl phthalate, bis(2-ethylhexyl) phthalate and diisononyl phthalate, while for dibutyl phthalate, di-n-octyl phthalate and diisodecyl phthalate the LOD was 0.1\\%. Validation of identification by the presence of ammonium adducts and characteristic fragment ions was possible to a content of ge1\\% for all PAE, except for benzyl butyl phthalate (ge5\\%). Based on the fragment ions, bis(2-ethylhexyl) phthalate could clearly be distinguished from di-n-octyl phthalate, if the concentrations were ge5\\% and ge1\\% at measured DART helium temperatures of 130 and 310°C, respectively. The complete analysis of one sample only took about 8 min. At the generally used gas temperature of 130°C, most toy and childcare samples did not sustain damage if their shape fitted into the DART source.},\n\tnumber = {17},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rothenbacher, Thorsten and Schwack, Wolfgang},\n\tyear = {2009},\n\tkeywords = {Agilent Quad},\n\tpages = {2829--2835},\n}\n\n\n\n
\n
\n\n\n
\n In the European Community, selected phthalic acid esters (PAE) are restricted in their use for the manufacture of toys and childcare articles to a content of 0.1% by weight. As PAE are mainly used as plasticisers for poly(vinyl chloride) (PVC), a rapid screening method for PVC samples with direct analysis in real time ionisation and single-quadrupole mass spectrometry (DART-MS) was developed. Using the ions for the protonated molecules, a limit of detection (LOD) of 0.05% was obtained for benzyl butyl phthalate, bis(2-ethylhexyl) phthalate and diisononyl phthalate, while for dibutyl phthalate, di-n-octyl phthalate and diisodecyl phthalate the LOD was 0.1%. Validation of identification by the presence of ammonium adducts and characteristic fragment ions was possible to a content of ge1% for all PAE, except for benzyl butyl phthalate (ge5%). Based on the fragment ions, bis(2-ethylhexyl) phthalate could clearly be distinguished from di-n-octyl phthalate, if the concentrations were ge5% and ge1% at measured DART helium temperatures of 130 and 310°C, respectively. The complete analysis of one sample only took about 8 min. At the generally used gas temperature of 130°C, most toy and childcare samples did not sustain damage if their shape fitted into the DART source.\n
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\n \n\n \n \n \n \n \n \n Assessing direct analysis in real-time-mass spectrometry (DART-MS) for the rapid identification of additives in food packaging.\n \n \n \n \n\n\n \n Ackerman, L.; Noonan, G.; and Begley, T.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 26(12): 1611–1618. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AssessingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{ackerman_assessing_2009,\n\ttitle = {Assessing direct analysis in real-time-mass spectrometry ({DART}-{MS}) for the rapid identification of additives in food packaging},\n\tvolume = {26},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/02652030903232753},\n\tdoi = {10.1080/02652030903232753},\n\tabstract = {The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.\nThe ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.},\n\tnumber = {12},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Ackerman, L.K. and Noonan, G.O. and Begley, T.H.},\n\tyear = {2009},\n\tkeywords = {in-house validation; screening assays; food-contact materials; packaging additives; paper; plastics; Waters Triple Quad},\n\tpages = {1611--1618},\n}\n\n\n\n
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\n The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement. The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.\n
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\n \n\n \n \n \n \n \n Elderberry flavonoids bind to and prevent H1N1 infection in vitro.\n \n \n \n\n\n \n Roschek Jr., B.; Fink, R. C.; McMichael, M. D.; Li, D.; and Alberte, R. S.\n\n\n \n\n\n\n Phytochemistry, 70(10): 1255–1262. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{roschek_jr._elderberry_2009,\n\ttitle = {Elderberry flavonoids bind to and prevent {H1N1} infection in vitro},\n\tvolume = {70},\n\tdoi = {10.1016/j.phytochem.2009.06.003},\n\tabstract = {A ionization technique in mass spectrometry called Direct Analysis in Real Time Mass Spectrometry (DART TOF-MS) coupled with a Direct Binding Assay was used to identify and characterize anti-viral components of an elderberry fruit (Sambucus nigra L.) extract without either derivatization or separation by standard chromatographic techniques. The elderberry extract inhibited Human Influenza A (H1N1) infection in vitro with an IC50 value of 252 ± 34 μg/mL. The Direct Binding Assay established that flavonoids from the elderberry extract bind to H1N1 virions and, when bound, block the ability of the viruses to infect host cells. Two compounds were identified, 5,7,3′,4′-tetra-O-methylquercetin (1) and 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chroman-3-yl-3,4,5-trihydroxycyclohexanecarboxylate (2), as H1N1-bound chemical species. Compound 1 and dihydromyricetin (3), the corresponding 3-hydroxyflavonone of 2, were synthesized and shown to inhibit H1N1 infection in vitro by binding to H1N1 virions, blocking host cell entry and/or recognition. Compound 1 gave an IC50 of 0.13 μg/mL (0.36 μM) for H1N1 infection inhibition, while dihydromyricetin (3) achieved an IC50 of 2.8 μg/mL (8.7 μM). The H1N1 inhibition activities of the elderberry flavonoids compare favorably to the known anti-influenza activities of Oseltamivir (Tamiflu®; 0.32 μM) and Amantadine (27 μM).},\n\tnumber = {10},\n\tjournal = {Phytochemistry},\n\tauthor = {Roschek Jr., Bill and Fink, Ryan C. and McMichael, Matthew D. and Li, Dan and Alberte, Randall S.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1255--1262},\n}\n\n\n\n
\n
\n\n\n
\n A ionization technique in mass spectrometry called Direct Analysis in Real Time Mass Spectrometry (DART TOF-MS) coupled with a Direct Binding Assay was used to identify and characterize anti-viral components of an elderberry fruit (Sambucus nigra L.) extract without either derivatization or separation by standard chromatographic techniques. The elderberry extract inhibited Human Influenza A (H1N1) infection in vitro with an IC50 value of 252 ± 34 μg/mL. The Direct Binding Assay established that flavonoids from the elderberry extract bind to H1N1 virions and, when bound, block the ability of the viruses to infect host cells. Two compounds were identified, 5,7,3′,4′-tetra-O-methylquercetin (1) and 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chroman-3-yl-3,4,5-trihydroxycyclohexanecarboxylate (2), as H1N1-bound chemical species. Compound 1 and dihydromyricetin (3), the corresponding 3-hydroxyflavonone of 2, were synthesized and shown to inhibit H1N1 infection in vitro by binding to H1N1 virions, blocking host cell entry and/or recognition. Compound 1 gave an IC50 of 0.13 μg/mL (0.36 μM) for H1N1 infection inhibition, while dihydromyricetin (3) achieved an IC50 of 2.8 μg/mL (8.7 μM). The H1N1 inhibition activities of the elderberry flavonoids compare favorably to the known anti-influenza activities of Oseltamivir (Tamiflu®; 0.32 μM) and Amantadine (27 μM).\n
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\n \n\n \n \n \n \n \n Temperature-dependent release of volatile organic compounds of eucalypts by direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Maleknia, S. D.; Vail, T. M.; Cody, R. B.; Sparkman, D. O.; Bell, T. L.; and Adams, M. A.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 23(15): 2241–2246. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{maleknia_temperature-dependent_2009,\n\ttitle = {Temperature-dependent release of volatile organic compounds of eucalypts by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {23},\n\tissn = {1097-0231},\n\tabstract = {A method is described for the rapid identification of biogenic, volatile organic compounds (VOCs) emitted by plants, including the analysis of the temperature dependence of those emissions. Direct analysis in real time (DART) enabled ionization of VOCs from stem and leaf of several eucalyptus species including E. cinerea, E. citriodora, E. nicholii and E. sideroxylon. Plant tissues were placed directly in the gap between the DART ionization source skimmer and the capillary inlet of the time-of-flight (TOF) mass spectrometer. Temperature-dependent emission of VOCs was achieved by adjusting the temperature of the helium gas into the DART ionization source at 50, 100, 200 and 300°C, which enabled direct evaporation of compounds, up to the onset of pyrolysis of plant fibres (i.e. cellulose and lignin). Accurate mass measurements facilitated by TOF mass spectrometry provided elemental compositions for the VOCs. A wide range of compounds was detected from simple organic compounds (i.e. methanol and acetone) to a series of monoterpenes (i.e. pinene, camphene, cymene, eucalyptol) common to many plant species, as well as several less abundant sesquiterpenes and flavonoids (i.e. naringenin, spathulenol, eucalyptin) with antioxidant and antimicrobial properties. The leaf and stem tissues for all four eucalypt species showed similar compounds. The relative abundances of methanol and ethanol were greater in stem wood than in leaf tissue suggesting that DART could be used to investigate the tissue-specific transport and emissions of VOCs.},\n\tnumber = {15},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Maleknia, Simin D. and Vail, Teresa M. and Cody, Robert B. and Sparkman, David O. and Bell, Tina L. and Adams, Mark A.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {2241--2246},\n}\n\n\n\n
\n
\n\n\n
\n A method is described for the rapid identification of biogenic, volatile organic compounds (VOCs) emitted by plants, including the analysis of the temperature dependence of those emissions. Direct analysis in real time (DART) enabled ionization of VOCs from stem and leaf of several eucalyptus species including E. cinerea, E. citriodora, E. nicholii and E. sideroxylon. Plant tissues were placed directly in the gap between the DART ionization source skimmer and the capillary inlet of the time-of-flight (TOF) mass spectrometer. Temperature-dependent emission of VOCs was achieved by adjusting the temperature of the helium gas into the DART ionization source at 50, 100, 200 and 300°C, which enabled direct evaporation of compounds, up to the onset of pyrolysis of plant fibres (i.e. cellulose and lignin). Accurate mass measurements facilitated by TOF mass spectrometry provided elemental compositions for the VOCs. A wide range of compounds was detected from simple organic compounds (i.e. methanol and acetone) to a series of monoterpenes (i.e. pinene, camphene, cymene, eucalyptol) common to many plant species, as well as several less abundant sesquiterpenes and flavonoids (i.e. naringenin, spathulenol, eucalyptin) with antioxidant and antimicrobial properties. The leaf and stem tissues for all four eucalypt species showed similar compounds. The relative abundances of methanol and ethanol were greater in stem wood than in leaf tissue suggesting that DART could be used to investigate the tissue-specific transport and emissions of VOCs.\n
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\n \n\n \n \n \n \n \n \n Alcohols Can Now Be Analyzed by a Direct Analysis in Real-Time Method: Applications for Chemical Warfare Agent Synthesis.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Nilles, J.; and Connell, T.\n\n\n \n\n\n\n American Laboratory, 41(4): 24–27. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AlcoholsPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramee_alcohols_2009,\n\ttitle = {Alcohols {Can} {Now} {Be} {Analyzed} by a {Direct} {Analysis} in {Real}-{Time} {Method}: {Applications} for {Chemical} {Warfare} {Agent} {Synthesis}},\n\tvolume = {41},\n\turl = {http://www.americanlaboratory.com/914-Application-Notes/652-Alcohols-Can-Now-Be-Analyzed-by-a-Direct-Analysis-in-Real-Time-Method-Applications-for-Chemical-Warfare-Agent-Synthesis/},\n\tabstract = {The cardinal principle for an operation involving chemical agents is to limit the potential exposure to a minimum number of personnel, for a minimum period of time, to a minimum amount of the chemical agent consistent with safe and efficient operations.1 This requires that the synthetic schemes be rapid and free from unnecessary by-products that would require otherwise further sample handling. Thus, acid/base chemistries with alcohols as intermediates are often used to synthesize phosphonofluoridates, phosphoramidocyanidate, and phosphonothioates.\n\nDovetailing into the cardinal principle is the need for a rapid chemical analysis method that can accurately confirm the identity and purity of the starting materials, intermediates, and final product(s). In order to accomplish these objectives, the U.S. Army’s Edgewood Chemical Biological Center (ECBC) has been using the Direct Analysis in Real Time (DART™) method (JEOL USA, Inc., Peabody, MA) since 2002.2 Since that time, a flurry of other open-air methods based on the use of metastable species has been seen.\n\nDuring the course of a large synthesis project comprising many organophosphorus compounds and their isotopically labeled analogs, it was observed that the DART datum for labeled alcohol intermediates neither corroborated the nuclear magnetic resonance (NMR) datum nor the GC-MS datum. Yet the data from these three analytical methods were in agreement when the final chemical agent product was analyzed. An investigation was initiated in order to discover the cause of this discrepancy, and a procedure was developed that allowed alcohols and organophosphorus intermediates to be analyzed by DART.},\n\tnumber = {4},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D. and Nilles, J.M. and Connell, T.R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {24--27},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The cardinal principle for an operation involving chemical agents is to limit the potential exposure to a minimum number of personnel, for a minimum period of time, to a minimum amount of the chemical agent consistent with safe and efficient operations.1 This requires that the synthetic schemes be rapid and free from unnecessary by-products that would require otherwise further sample handling. Thus, acid/base chemistries with alcohols as intermediates are often used to synthesize phosphonofluoridates, phosphoramidocyanidate, and phosphonothioates. Dovetailing into the cardinal principle is the need for a rapid chemical analysis method that can accurately confirm the identity and purity of the starting materials, intermediates, and final product(s). In order to accomplish these objectives, the U.S. Army’s Edgewood Chemical Biological Center (ECBC) has been using the Direct Analysis in Real Time (DART™) method (JEOL USA, Inc., Peabody, MA) since 2002.2 Since that time, a flurry of other open-air methods based on the use of metastable species has been seen. During the course of a large synthesis project comprising many organophosphorus compounds and their isotopically labeled analogs, it was observed that the DART datum for labeled alcohol intermediates neither corroborated the nuclear magnetic resonance (NMR) datum nor the GC-MS datum. Yet the data from these three analytical methods were in agreement when the final chemical agent product was analyzed. An investigation was initiated in order to discover the cause of this discrepancy, and a procedure was developed that allowed alcohols and organophosphorus intermediates to be analyzed by DART.\n
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\n \n\n \n \n \n \n \n \n Validation of the Direct Analysis in Real Time Source for Use in Forensic Drug Screening.\n \n \n \n \n\n\n \n Steiner, R. R.; and Larson, R. L.\n\n\n \n\n\n\n Journal of Forensic Sciences, 54(3): 617–622. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{steiner_validation_2009,\n\ttitle = {Validation of the {Direct} {Analysis} in {Real} {Time} {Source} for {Use} in {Forensic} {Drug} {Screening}},\n\tvolume = {54},\n\tissn = {00221198, 15564029},\n\turl = {http://doi.wiley.com/10.1111/j.1556-4029.2009.01006.x},\n\tdoi = {10.1111/j.1556-4029.2009.01006.x},\n\tabstract = {The Direct Analysis in Real Time (DART) ion source is a relatively new mass spectrometry technique that is seeing widespread use in chemical analyses world-wide. DART studies include such diverse topics as analysis of flavors and fragrances, melamine in contaminated dog food, differentiation of writing inks, characterization of solid counterfeit drugs, and as a detector for planar chromatography. Validation of this new technique for the rapid screening of forensic evidence for drugs of abuse, utilizing the DART source coupled to an accurate mass time-of-flight mass spectrometer, was conducted. The study consisted of the determination of the lower limit of detection for the method, determination of selectivity and a comparison of this technique to established analytical protocols. Examples of DART spectra are included. The results of this study have allowed the Virginia Department of Forensic Science to incorporate this new technique into their analysis scheme for the screening of solid dosage forms of drugs of abuse.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Steiner, Robert R. and Larson, Robyn L.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {617--622},\n}\n\n\n\n
\n
\n\n\n
\n The Direct Analysis in Real Time (DART) ion source is a relatively new mass spectrometry technique that is seeing widespread use in chemical analyses world-wide. DART studies include such diverse topics as analysis of flavors and fragrances, melamine in contaminated dog food, differentiation of writing inks, characterization of solid counterfeit drugs, and as a detector for planar chromatography. Validation of this new technique for the rapid screening of forensic evidence for drugs of abuse, utilizing the DART source coupled to an accurate mass time-of-flight mass spectrometer, was conducted. The study consisted of the determination of the lower limit of detection for the method, determination of selectivity and a comparison of this technique to established analytical protocols. Examples of DART spectra are included. The results of this study have allowed the Virginia Department of Forensic Science to incorporate this new technique into their analysis scheme for the screening of solid dosage forms of drugs of abuse.\n
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\n \n\n \n \n \n \n \n \n Identification of active ingredients in dietary supplements using non-destructive mass spectrometry and liquid chromatography–mass spectrometry.\n \n \n \n \n\n\n \n Saka, K.; Konuma, K.; Asai, S.; Unuma, K.; Nakajima, M.; and Yoshida, K.\n\n\n \n\n\n\n Forensic Science International, 191(1-3): e5–e10. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{saka_identification_2009,\n\ttitle = {Identification of active ingredients in dietary supplements using non-destructive mass spectrometry and liquid chromatography–mass spectrometry},\n\tvolume = {191},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073809002898},\n\tdoi = {10.1016/j.forsciint.2009.07.007},\n\tabstract = {A mid-forties woman purchased seven different dietary supplements from Thailand on the internet and subsequently died after taking these supplements. Since there were no ingredient labels on the supplements, we identified the active ingredients using direct analysis in real time–mass spectrometry (DART–MS), direct exposure probe–MS (DEP–MS), and liquid chromatography–MS (LC–MS). DART–MS gives exact molecular weights and DEP–MS shows the fragmentation of a molecule by electron ionization. Analyses using these two instruments are rapid and do not require extraction of the sample. The compounds predicted by DART–MS and DEP–MS were confirmed by LC–MS and the active ingredients of the seven dietary supplements were identified.},\n\tnumber = {1-3},\n\turldate = {2012-04-18},\n\tjournal = {Forensic Science International},\n\tauthor = {Saka, Kanju and Konuma, Kiyotaka and Asai, Shigehiro and Unuma, Kana and Nakajima, Makoto and Yoshida, Ken-ichi},\n\tyear = {2009},\n\tkeywords = {Dietary supplements; Direct analysis in real time; Direct exposure probe; Liquid chromatography–mass spectrometry; AccuTOF},\n\tpages = {e5--e10},\n}\n\n\n\n
\n
\n\n\n
\n A mid-forties woman purchased seven different dietary supplements from Thailand on the internet and subsequently died after taking these supplements. Since there were no ingredient labels on the supplements, we identified the active ingredients using direct analysis in real time–mass spectrometry (DART–MS), direct exposure probe–MS (DEP–MS), and liquid chromatography–MS (LC–MS). DART–MS gives exact molecular weights and DEP–MS shows the fragmentation of a molecule by electron ionization. Analyses using these two instruments are rapid and do not require extraction of the sample. The compounds predicted by DART–MS and DEP–MS were confirmed by LC–MS and the active ingredients of the seven dietary supplements were identified.\n
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\n \n\n \n \n \n \n \n Simulations and Experimental Investigation of Atmospheric Transport in an Ambient Metastable-Induced Chemical Ionization Source.\n \n \n \n\n\n \n Harris, G. A.; and Fernandez, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 81(1): 322–329. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{harris_simulations_2009,\n\ttitle = {Simulations and {Experimental} {Investigation} of {Atmospheric} {Transport} in an {Ambient} {Metastable}-{Induced} {Chemical} {Ionization} {Source}},\n\tvolume = {81},\n\tdoi = {10.1021/ac802117u},\n\tabstract = {Since its inception, Direct Analysis in Real Time (DART) has seen utility in a wide range of applications including chemical reaction monitoring, pharmaceutical screening, and forensic mass spectrometry. Despite the growing interest in DART applications, there has been limited research into the fundamental physiochemical phenomena affecting sampling, ionization, and atmospheric ion transport. Presented here are the first experimentally validated finite element method simulations of an ambient DART-type metastable-induced chemical ionization source. It was found that complex coupled fluid dynamics, heat transfer, and electrostatic phenomena within the sampling region determine the variability in ion transmission efficiencies affecting the overall sensitivity of analysis. Particle tracing plots of a circular acetaminophen tablet placed in various positions and orientations yielded insight into optimal sample placement and evidence for sweet spots conducive to better ion transport. Experiments in a wide range of electric field conditions were performed, finding that under optimum sample placement, sensitivity could be improved by as much as 128\\% if ion mobility contributions were minimized.},\n\tnumber = {1},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Harris, Glenn A. and Fernandez, Facundo M.},\n\tyear = {2009},\n\tkeywords = {simulation},\n\tpages = {322--329},\n}\n\n\n\n
\n
\n\n\n
\n Since its inception, Direct Analysis in Real Time (DART) has seen utility in a wide range of applications including chemical reaction monitoring, pharmaceutical screening, and forensic mass spectrometry. Despite the growing interest in DART applications, there has been limited research into the fundamental physiochemical phenomena affecting sampling, ionization, and atmospheric ion transport. Presented here are the first experimentally validated finite element method simulations of an ambient DART-type metastable-induced chemical ionization source. It was found that complex coupled fluid dynamics, heat transfer, and electrostatic phenomena within the sampling region determine the variability in ion transmission efficiencies affecting the overall sensitivity of analysis. Particle tracing plots of a circular acetaminophen tablet placed in various positions and orientations yielded insight into optimal sample placement and evidence for sweet spots conducive to better ion transport. Experiments in a wide range of electric field conditions were performed, finding that under optimum sample placement, sensitivity could be improved by as much as 128% if ion mobility contributions were minimized.\n
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\n \n\n \n \n \n \n \n Ionization Mechanism of Positive-Ion Direct Analysis in Real Time: A Transient Microenvironment Concept.\n \n \n \n\n\n \n Song, L.; Gibson, S. C.; Bhandari, D.; Cook, K. D.; and Bartmess, J. E.\n\n\n \n\n\n\n Analytical Chemistry, 81(24): 10080–10088. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{song_ionization_2009,\n\ttitle = {Ionization {Mechanism} of {Positive}-{Ion} {Direct} {Analysis} in {Real} {Time}: {A} {Transient} {Microenvironment} {Concept}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tdoi = {10.1021/ac901122b},\n\tabstract = {A transient microenvironment mechanism (TMEM) is proposed to address matrix effects for direct analysis in real time (DART). When the DART gas stream is in contact with the sample, a transient microenvironment (TME), which can shield analytes from direct ionization, may be generated through the desorption of the matrix containing the analyte. The DART gas stream can directly ionize the matrix molecules, but the analytes will be ionized primarily through gas-phase ion/molecule reactions with the matrix ions. Experimental results showed that as little as 10 nL of liquid or 10 μg of solid was able to generate an efficient TME. Generated TMEs were able to control the ionization of an analyte below an analyte-to-matrix ratio that was dependent on the DART temperature and the boiling points of the analyte and matrix. TMEs generated by common solvents were studied in detail. The ionization of both polar and nonpolar compounds, present in a solvent or another analyte below a ratio of 1:100, were found to be mainly controlled by the generated TMEs at a DART temperature of 300 °C.},\n\tnumber = {24},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Song, Liguo and Gibson, Stephen C. and Bhandari, Deepak and Cook, Kelsey D. and Bartmess, John E.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {10080--10088},\n}\n\n\n\n
\n
\n\n\n
\n A transient microenvironment mechanism (TMEM) is proposed to address matrix effects for direct analysis in real time (DART). When the DART gas stream is in contact with the sample, a transient microenvironment (TME), which can shield analytes from direct ionization, may be generated through the desorption of the matrix containing the analyte. The DART gas stream can directly ionize the matrix molecules, but the analytes will be ionized primarily through gas-phase ion/molecule reactions with the matrix ions. Experimental results showed that as little as 10 nL of liquid or 10 μg of solid was able to generate an efficient TME. Generated TMEs were able to control the ionization of an analyte below an analyte-to-matrix ratio that was dependent on the DART temperature and the boiling points of the analyte and matrix. TMEs generated by common solvents were studied in detail. The ionization of both polar and nonpolar compounds, present in a solvent or another analyte below a ratio of 1:100, were found to be mainly controlled by the generated TMEs at a DART temperature of 300 °C.\n
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\n \n\n \n \n \n \n \n Elementary Guide to Ionization Methods for Mass Spectrometry− Introduction of Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Konuma, K.\n\n\n \n\n\n\n Bunseki, 9: 464–467. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{konuma_elementary_2009,\n\ttitle = {Elementary {Guide} to {Ionization} {Methods} for {Mass} {Spectrometry}− {Introduction} of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {9},\n\tjournal = {Bunseki},\n\tauthor = {Konuma, K.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {464--467},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Simple and Rapid Screening for Psychotropic Natural Products Using Direct Analysis in Real Time (DART)-TOFMS.\n \n \n \n\n\n \n Kawamura, M.; Kikura-Hanajiri, R.; and Goda, Y.\n\n\n \n\n\n\n Yakugaku Zasshi, 129: 719–725. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{kawamura_simple_2009,\n\ttitle = {Simple and {Rapid} {Screening} for {Psychotropic} {Natural} {Products} {Using} {Direct} {Analysis} in {Real} {Time} ({DART})-{TOFMS}},\n\tvolume = {129},\n\tdoi = {10.1248/yakushi.129.719},\n\tabstract = {Direct Analysis in Real Time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. To investigate the trend of non-controlled psychotropic plants of abuse in Japan, a rapid screening method, without sample preparation, was developed using DART-time of flight mass spectrometer (TOFMS) for plant products. The major psychotropic constituents of these products were determined using liquid chromatography-mass spectrometry (LC/MS). As a result of the DART-TOFMS analyses of 36 products, the protonated molecular ions [M+H]+, corresponding to 6 kinds of major hallucinogenic constituents (mescaline, salvinorin A, N,N-dimethyltryptamine, harmine, harmaline and lysergamide), were detected in 21 products. It was possible to estimate their accurate elemental compositions through exact mass measurements. These results were consistent with those of the LC/MS analyses and the contents of the 6 psychotropic constituents were in the range from 0.05 to 45 μg/mg. Typical controlled narcotic drugs, tetrahydrocannabinol, opioid alkaloids and psilocin were also directly detected in marijuana cigarette, opium gum and magic mushroom respectively. Although it is difficult to estimate the matrix effects caused by other plant ingredients, the DART-TOFMS could be useful as a simple and rapid screening method for the targeted psychotropic natural products, because it provides the molecular information of the target compounds without time-consuming extraction and pre-treatment steps.},\n\tjournal = {Yakugaku Zasshi},\n\tauthor = {Kawamura, M. and Kikura-Hanajiri, R. and Goda, Y.},\n\tyear = {2009},\n\tkeywords = {DART; AccuTOF, Direct Analysis in Real Time (DART); TOFMS; LC/MS; psychotropic plants},\n\tpages = {719--725},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Direct Analysis in Real Time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. To investigate the trend of non-controlled psychotropic plants of abuse in Japan, a rapid screening method, without sample preparation, was developed using DART-time of flight mass spectrometer (TOFMS) for plant products. The major psychotropic constituents of these products were determined using liquid chromatography-mass spectrometry (LC/MS). As a result of the DART-TOFMS analyses of 36 products, the protonated molecular ions [M+H]+, corresponding to 6 kinds of major hallucinogenic constituents (mescaline, salvinorin A, N,N-dimethyltryptamine, harmine, harmaline and lysergamide), were detected in 21 products. It was possible to estimate their accurate elemental compositions through exact mass measurements. These results were consistent with those of the LC/MS analyses and the contents of the 6 psychotropic constituents were in the range from 0.05 to 45 μg/mg. Typical controlled narcotic drugs, tetrahydrocannabinol, opioid alkaloids and psilocin were also directly detected in marijuana cigarette, opium gum and magic mushroom respectively. Although it is difficult to estimate the matrix effects caused by other plant ingredients, the DART-TOFMS could be useful as a simple and rapid screening method for the targeted psychotropic natural products, because it provides the molecular information of the target compounds without time-consuming extraction and pre-treatment steps.\n
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\n \n\n \n \n \n \n \n Identification of a cannabimimetic indole as a designer drug in a herbal product.\n \n \n \n\n\n \n Uchiyama, N.; Kikura-Hanajiri, R.; Kawahara, N.; and Goda, Y.\n\n\n \n\n\n\n Forensic Toxicology, 27(2): 61–66. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{uchiyama_identification_2009,\n\ttitle = {Identification of a cannabimimetic indole as a designer drug in a herbal product},\n\tvolume = {27},\n\tnumber = {2},\n\tjournal = {Forensic Toxicology},\n\tauthor = {Uchiyama, N. and Kikura-Hanajiri, R. and Kawahara, N. and Goda, Y.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {61--66},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Bioanalysis without Sample Cleanup or Chromatography: The Evaluation and Initial Implementation of Direct Analysis in Real Time Ionization Mass Spectrometry for the Quantification of Drugs in Biological Matrixes.\n \n \n \n \n\n\n \n Yu, S.; Crawford, E.; Tice, J.; Musselman, B.; and Wu, J.\n\n\n \n\n\n\n Analytical Chemistry, 81(1): 193–202. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"BioanalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{yu_bioanalysis_2009,\n\ttitle = {Bioanalysis without {Sample} {Cleanup} or {Chromatography}: {The} {Evaluation} and {Initial} {Implementation} of {Direct} {Analysis} in {Real} {Time} {Ionization} {Mass} {Spectrometry} for the {Quantification} of {Drugs} in {Biological} {Matrixes}},\n\tvolume = {81},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Bioanalysis without {Sample} {Cleanup} or {Chromatography}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac801734t},\n\tdoi = {10.1021/ac801734t},\n\tabstract = {Two key bottlenecks in pharmaceutical bioanalysis are sample cleanup and chromatographic separations. Although multiple approaches have been developed in the past decade to either shorten or multiplex these steps, they remain the rate limiting steps as ADME (Absorption, Distribution, Metabolism, and Excretion) property screening is being routinely incorporated into the drug discovery process. In this work, a novel system incorporating an automated Direct Analysis in Real Time (DART) ionization source coupled with a triple-quadrupole mass spectrometer has been developed and evaluated for quantitative bioanalysis. This system has the capability of directly analyzing samples from their biological matrixes and therefore potentially eliminating the need for sample cleanup and chromatographic separations. A LEAP Technologies autosampler was customized to perform the automated sample introduction into the DART beam with high precision, which significantly improved the reproducibility of the method. Additional pumping was applied to the atmospheric pressure inlet on the mass spectrometer to compensate for the increased vacuum load because of the use of high-flow helium by the DART. This resulted in an improvement of detection sensitivity by a factor of 10 to 100 times. Matrix effects for a diversified class of compounds were evaluated directly from untreated raw plasma and were found to range from approximately 0.05 to 0.7. Precision and accuracy were also tested for multiple test compounds over a dynamic range of four orders of magnitude. The system has been used to analyze biological samples from both in vivo pharmacokinetic studies and in vitro microsomal/S9 stability studies, and the results generated were similar to those obtained with conventional LC/MS/MS methods. Overall, this new automated DART-triple quadrupole mass spectrometer system has demonstrated significant potential for high-throughput bioanalysis.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Yu, Shaoxia and Crawford, Elizabeth and Tice, Joe and Musselman, Brian and Wu, Jing-Tao},\n\tyear = {2009},\n\tkeywords = {Applied Biosystems Triple Quad},\n\tpages = {193--202},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Two key bottlenecks in pharmaceutical bioanalysis are sample cleanup and chromatographic separations. Although multiple approaches have been developed in the past decade to either shorten or multiplex these steps, they remain the rate limiting steps as ADME (Absorption, Distribution, Metabolism, and Excretion) property screening is being routinely incorporated into the drug discovery process. In this work, a novel system incorporating an automated Direct Analysis in Real Time (DART) ionization source coupled with a triple-quadrupole mass spectrometer has been developed and evaluated for quantitative bioanalysis. This system has the capability of directly analyzing samples from their biological matrixes and therefore potentially eliminating the need for sample cleanup and chromatographic separations. A LEAP Technologies autosampler was customized to perform the automated sample introduction into the DART beam with high precision, which significantly improved the reproducibility of the method. Additional pumping was applied to the atmospheric pressure inlet on the mass spectrometer to compensate for the increased vacuum load because of the use of high-flow helium by the DART. This resulted in an improvement of detection sensitivity by a factor of 10 to 100 times. Matrix effects for a diversified class of compounds were evaluated directly from untreated raw plasma and were found to range from approximately 0.05 to 0.7. Precision and accuracy were also tested for multiple test compounds over a dynamic range of four orders of magnitude. The system has been used to analyze biological samples from both in vivo pharmacokinetic studies and in vitro microsomal/S9 stability studies, and the results generated were similar to those obtained with conventional LC/MS/MS methods. Overall, this new automated DART-triple quadrupole mass spectrometer system has demonstrated significant potential for high-throughput bioanalysis.\n
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\n \n\n \n \n \n \n \n Determination of the Presence or Absence of Sulfur Materials in Drywall Using Direct Analysis in Real Time in Conjunction with an Accurate-Mass Time-of-Flight Mass Spectrometer.\n \n \n \n\n\n \n Curtis, M. E.; Jones, P. R.; Sparkman, O. D.; and Cody, R. B.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(11): 2082–2086. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{curtis_determination_2009,\n\ttitle = {Determination of the {Presence} or {Absence} of {Sulfur} {Materials} in {Drywall} {Using} {Direct} {Analysis} in {Real} {Time} in {Conjunction} with an {Accurate}-{Mass} {Time}-of-{Flight} {Mass} {Spectrometer}},\n\tvolume = {20},\n\tissn = {1044-0305},\n\tabstract = {Based on the concern about the presence of sulfur materials being in drywall (wallboard), a quick and reliable test to confirm the presence or absence of these materials using direct analysis in real time (DART) mass spectrometry in conjunction with an accurate-mass time-of-flight (TOF) mass spectrometer has been developed and is described here.},\n\tnumber = {11},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Curtis, Matthew E. and Jones, Patrick R. and Sparkman, O. David and Cody, Robert B.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {2082--2086},\n}\n\n\n\n
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\n Based on the concern about the presence of sulfur materials being in drywall (wallboard), a quick and reliable test to confirm the presence or absence of these materials using direct analysis in real time (DART) mass spectrometry in conjunction with an accurate-mass time-of-flight (TOF) mass spectrometer has been developed and is described here.\n
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\n \n\n \n \n \n \n \n Desorption Electrospray/Metastable-Induced Ionization: A Flexible Multimode Ambient Ion Generation Technique.\n \n \n \n\n\n \n Nyadong, L.; Galhena, A. S.; and Fernandez, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 81(18): 7788–7794. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{nyadong_desorption_2009,\n\ttitle = {Desorption {Electrospray}/{Metastable}-{Induced} {Ionization}: {A} {Flexible} {Multimode} {Ambient} {Ion} {Generation} {Technique}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tdoi = {10.1021/ac9014098},\n\tabstract = {Presented here is a novel multimode ambient ion source termed desorption electrospray/metastable-induced ionization (DEMI), which integrates the benefits and circumvents some of the limitations of desorption electrospray ionization (DESI, polarity range limited) and direct analysis in real time (DART)-type metastable-induced chemical ionization (MICI, molecular weight limited). This ion source allows three unique operation modes, each with unique capabilities, including spray (DESI-like)-only, MICI-only, and DEMI (multimode), and can be thus operated in each of these modes allowing the detection of a wider range of analytes of interest. Ion source operation in the MICI-only mode is particularly well suited for the analysis of low-polarity, low-molecular weight compounds in powdered, solid, or dissolved samples. Operation of the ion source in spray-only mode shows superior performance for the analysis of high-molecular weight, high-polarity compounds over the MICI-only mode. Heating the nebulizer gas in spray-only mode allows improved analyte solubility in the spray solvent, enabling up to an order of magnitude improvement in sensitivity. Perhaps the most appealing mode of operation of the ion source is the DEMI mode which allows the simultaneous detection of compounds within a much broader range of polarities and molecular weights than each of the individual modes. For drug quality screening and counterfeit detection applications, operation in the DEMI mode results in the generation of both protonated and sodiated analytes. The observation of such complementary ionic species facilitates compound identification when investigating unknowns.},\n\tnumber = {18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nyadong, Leonard and Galhena, Asiri S. and Fernandez, Facundo M.},\n\tyear = {2009},\n\tkeywords = {Thermo LCQ},\n\tpages = {7788--7794},\n}\n\n\n\n
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\n Presented here is a novel multimode ambient ion source termed desorption electrospray/metastable-induced ionization (DEMI), which integrates the benefits and circumvents some of the limitations of desorption electrospray ionization (DESI, polarity range limited) and direct analysis in real time (DART)-type metastable-induced chemical ionization (MICI, molecular weight limited). This ion source allows three unique operation modes, each with unique capabilities, including spray (DESI-like)-only, MICI-only, and DEMI (multimode), and can be thus operated in each of these modes allowing the detection of a wider range of analytes of interest. Ion source operation in the MICI-only mode is particularly well suited for the analysis of low-polarity, low-molecular weight compounds in powdered, solid, or dissolved samples. Operation of the ion source in spray-only mode shows superior performance for the analysis of high-molecular weight, high-polarity compounds over the MICI-only mode. Heating the nebulizer gas in spray-only mode allows improved analyte solubility in the spray solvent, enabling up to an order of magnitude improvement in sensitivity. Perhaps the most appealing mode of operation of the ion source is the DEMI mode which allows the simultaneous detection of compounds within a much broader range of polarities and molecular weights than each of the individual modes. For drug quality screening and counterfeit detection applications, operation in the DEMI mode results in the generation of both protonated and sodiated analytes. The observation of such complementary ionic species facilitates compound identification when investigating unknowns.\n
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\n \n\n \n \n \n \n \n \"Soft\" or \"hard\" ionisation? Investigation of metastable gas temperature effect on direct analysis in real-time analysis of Voriconazole.\n \n \n \n\n\n \n Lapthorn, C.; and Pullen, F.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 15(5): 587–593. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{lapthorn_soft_2009,\n\ttitle = {"{Soft}" or "hard" ionisation? {Investigation} of metastable gas temperature effect on direct analysis in real-time analysis of {Voriconazole}},\n\tvolume = {15},\n\tissn = {1469-0667},\n\tdoi = {10.1255/ejms.1022},\n\tabstract = {The performance of the direct analysis in real-time (DART) technique was evaluated across a range of metastable gas temperatures for a pharmaceutical compound, Voriconazole, in order to investigate the effect of metastable gas temperature on molecular ion intensity and fragmentation. The DART source has been used to analyse a range of analytes and from a range of matrices including drugs in solid tablet form and preparations, active ingredients in ointment, naturally occurring plant alkaloids, flavours and fragrances, from thin layer chromatography (TLC) plates, melting point tubes and biological matrices including hair, urine and blood. The advantages of this technique include rapid analysis time (as little as 5 s), a reduction in sample preparation requirements, elimination of mobile phase requirement and analysis of samples not typically amenable to atmospheric pressure ionisation (API) techniques. This technology has therefore been proposed as an everyday tool for identification of components in crude organic reaction mixtures.},\n\tnumber = {5},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Lapthorn, Cris and Pullen, Frank},\n\tyear = {2009},\n\tkeywords = {Waters Quad},\n\tpages = {587--593},\n}\n\n\n\n
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\n The performance of the direct analysis in real-time (DART) technique was evaluated across a range of metastable gas temperatures for a pharmaceutical compound, Voriconazole, in order to investigate the effect of metastable gas temperature on molecular ion intensity and fragmentation. The DART source has been used to analyse a range of analytes and from a range of matrices including drugs in solid tablet form and preparations, active ingredients in ointment, naturally occurring plant alkaloids, flavours and fragrances, from thin layer chromatography (TLC) plates, melting point tubes and biological matrices including hair, urine and blood. The advantages of this technique include rapid analysis time (as little as 5 s), a reduction in sample preparation requirements, elimination of mobile phase requirement and analysis of samples not typically amenable to atmospheric pressure ionisation (API) techniques. This technology has therefore been proposed as an everyday tool for identification of components in crude organic reaction mixtures.\n
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\n \n\n \n \n \n \n \n Detection of Peroxide and Tetrazine Explosives on Surfaces by Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; Durst, H. D.; Connell, T. R.; and Nilles, J. M.\n\n\n \n\n\n\n American Laboratory Online Edition, 2(2): 1–5. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramee_detection_2009,\n\ttitle = {Detection of {Peroxide} and {Tetrazine} {Explosives} on {Surfaces} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {2},\n\tnumber = {2},\n\tjournal = {American Laboratory Online Edition},\n\tauthor = {Laramée, James A. and Durst, H. Dupont and Connell, Theresa R. and Nilles, J. Michael},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1--5},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n Rapid Semi-Quantitative Surface Mapping of Airborne-Dispersed Chemicals Using Mass Spectrometry.\n \n \n \n\n\n \n Grange, A.\n\n\n \n\n\n\n Environmental Forensics, 10(3): 183–195. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_rapid_2009,\n\ttitle = {Rapid {Semi}-{Quantitative} {Surface} {Mapping} of {Airborne}-{Dispersed} {Chemicals} {Using} {Mass} {Spectrometry}},\n\tvolume = {10},\n\tabstract = {Chemicals can be dispersed accidentally, deliberately, or by weather-related events. Rapid mapping of contaminant distributions is necessary to assess exposure risks and to plan remediation, when needed. Ten pulverized aspirin or NoDozTM tablets containing caffeine were dispersed across a concrete driveway using the exhaust port of a shop vacuum cleaner. Water-soaked, cotton swabs were used to collect wipe samples from 100 cm2 areas within a 7 x 12 grid pattern to map the caffeine distribution. An autosampler/Direct Analysis in Real Time (DARTTM)/time-of-flight mass spectrometer was used to acquire ion chromatograms for the [M+H]+ semi-quantitation ion (m/z 195). Prior to analysis, unheated, non-energized helium gas was blown across the swabs to remove debris that could plug the cone orifice. Carry over was mitigated by interspersing wipe sample swabs with water-soaked swabs to provide hot water vapor to clean the region around the cone orifice into the mass spectrometer between sample swabs. Carry over was further reduced relative to the ion abundances from analyte peaks by acquiring data a second time. Remaining carry over was seen as ion abundance plateaus in ion chromatograms before and after each analyte peak. The higher plateau was treated as the baseline for each analyte peak by a macro procedure written in Lotus 123TM. A second macro procedure plotted multi-color, semi-quantitation maps for high, moderate, low, and non-detect levels of caffeine.},\n\tnumber = {3},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, A.H.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {183--195},\n}\n\n\n\n
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\n Chemicals can be dispersed accidentally, deliberately, or by weather-related events. Rapid mapping of contaminant distributions is necessary to assess exposure risks and to plan remediation, when needed. Ten pulverized aspirin or NoDozTM tablets containing caffeine were dispersed across a concrete driveway using the exhaust port of a shop vacuum cleaner. Water-soaked, cotton swabs were used to collect wipe samples from 100 cm2 areas within a 7 x 12 grid pattern to map the caffeine distribution. An autosampler/Direct Analysis in Real Time (DARTTM)/time-of-flight mass spectrometer was used to acquire ion chromatograms for the [M+H]+ semi-quantitation ion (m/z 195). Prior to analysis, unheated, non-energized helium gas was blown across the swabs to remove debris that could plug the cone orifice. Carry over was mitigated by interspersing wipe sample swabs with water-soaked swabs to provide hot water vapor to clean the region around the cone orifice into the mass spectrometer between sample swabs. Carry over was further reduced relative to the ion abundances from analyte peaks by acquiring data a second time. Remaining carry over was seen as ion abundance plateaus in ion chromatograms before and after each analyte peak. The higher plateau was treated as the baseline for each analyte peak by a macro procedure written in Lotus 123TM. A second macro procedure plotted multi-color, semi-quantitation maps for high, moderate, low, and non-detect levels of caffeine.\n
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\n \n\n \n \n \n \n \n Ionization Mechanism of Negative Ion-Direct Analysis in Real Time: A Comparative Study with Negative Ion-Atmospheric Pressure Photoionization.\n \n \n \n\n\n \n Song, L.; Dykstra, A. B.; Yao, H.; and Bartmess, J. E.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(1): 42–50. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{song_ionization_2009,\n\ttitle = {Ionization {Mechanism} of {Negative} {Ion}-{Direct} {Analysis} in {Real} {Time}: {A} {Comparative} {Study} with {Negative} {Ion}-{Atmospheric} {Pressure} {Photoionization}},\n\tvolume = {20},\n\tabstract = {The ionization mechanism of negative ion-direct analysis in real time (NI-DART) has been investigated using over 42 compounds, including fullerenes, perfluorocarbons (PFC), organic explosives, phenols, pentafluorobenzyl (PFB) derivatized phenols, anilines, and carboxylic\nacids, which were previously studied by negative ion-atmospheric pressure photoionization (NI-APPI). NI-DART generated ionization products similar to NI-APPI, which led to four ionization mechanisms, including electron capture (EC), dissociative EC, proton transfer, and\nanion attachment. These four ionization mechanisms make both NI-DART and NI-APPI capable of ionizing a wider range of compounds than negative ion-atmospheric pressure chemical ionization (APCI) or negative ion-electrospray ionization (ESI). As the operation of NI-DART is much easier than that of NI-APPI and the gas-phase ion chemistry of NI-DART is more easily manipulated than that of NI-APPI, NI-DART can be therefore used to study in detail the ionization mechanism of LC/NI-APPI-MS, which would be a powerful methodology for the quantification of low-polarity compounds. Herein, one such application has been further demonstrated in the detection and identification of background ions from LC solvents and APPI dopants, including water, acetonitrile, chloroform, methylene chloride, methanol, 2-propanol, hexanes, heptane, cyclohexane, acetone, tetrahydrofuran (THF), 1,4-dioxane, toluene, and anisole. Possible reaction pathways leading to the formation of these background\nions were further inferred. One of the conclusions from these experiments is that THF and 1,4-dioxane are inappropriate to be used as solvents and/or dopants for LC/NI-APPI-MS due to their high reactivity with source basic ions, leading to many reactant ions in the background.},\n\tnumber = {1},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Song, Liguo and Dykstra, Andrew B. and Yao, Huifang and Bartmess, John E.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {42--50},\n}\n\n\n\n
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\n The ionization mechanism of negative ion-direct analysis in real time (NI-DART) has been investigated using over 42 compounds, including fullerenes, perfluorocarbons (PFC), organic explosives, phenols, pentafluorobenzyl (PFB) derivatized phenols, anilines, and carboxylic acids, which were previously studied by negative ion-atmospheric pressure photoionization (NI-APPI). NI-DART generated ionization products similar to NI-APPI, which led to four ionization mechanisms, including electron capture (EC), dissociative EC, proton transfer, and anion attachment. These four ionization mechanisms make both NI-DART and NI-APPI capable of ionizing a wider range of compounds than negative ion-atmospheric pressure chemical ionization (APCI) or negative ion-electrospray ionization (ESI). As the operation of NI-DART is much easier than that of NI-APPI and the gas-phase ion chemistry of NI-DART is more easily manipulated than that of NI-APPI, NI-DART can be therefore used to study in detail the ionization mechanism of LC/NI-APPI-MS, which would be a powerful methodology for the quantification of low-polarity compounds. Herein, one such application has been further demonstrated in the detection and identification of background ions from LC solvents and APPI dopants, including water, acetonitrile, chloroform, methylene chloride, methanol, 2-propanol, hexanes, heptane, cyclohexane, acetone, tetrahydrofuran (THF), 1,4-dioxane, toluene, and anisole. Possible reaction pathways leading to the formation of these background ions were further inferred. One of the conclusions from these experiments is that THF and 1,4-dioxane are inappropriate to be used as solvents and/or dopants for LC/NI-APPI-MS due to their high reactivity with source basic ions, leading to many reactant ions in the background.\n
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\n \n\n \n \n \n \n \n NADP+-dependent farnesol dehydrogenase, a corpora allata enzyme involved in juvenile hormone synthesis.\n \n \n \n\n\n \n Mayoral, J. G.; Nouzova, M.; Navare, A.; and Noriega, F. G.\n\n\n \n\n\n\n Proceedings of the National Academy of Sciences, 106(50): 21091–21096. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{mayoral_nadp+-dependent_2009,\n\ttitle = {{NADP}+-dependent farnesol dehydrogenase, a corpora allata enzyme involved in juvenile hormone synthesis},\n\tvolume = {106},\n\tdoi = {10.1073/pnas.0909938106},\n\tabstract = {The synthesis of juvenile hormone (JH) is an attractive target for control of insect pests and vectors of disease, but the minute size of the corpora allata (CA), the glands that synthesize JH, has made it difficult to identify important biosynthetic enzymes by classical biochemical approaches. Here, we report identification and characterization of an insect farnesol dehydrogenase (SDR-1) that oxidizes farnesol into farnesal, a precursor of JH, in the CA. SDR-1 was isolated as an EST in a library of the corpora allata-corpora cardiaca of the mosquito . The 245-amino acid protein presents the typical short-chain dehydrogenase (SDR) Rossmann-fold motif for nucleotide binding. This feature, together with other conserved sequence motifs, place SDR-1 into the “classical” NADP-dependent cP2 SDR subfamily. The gene is part of a group of highly conserved paralogs that cluster together in the mosquito genome; similar clusters of orthologs were found in other insect species. SDR-1 acts as a homodimer and efficiently oxidizes C to C isoprenoid and aliphatic alcohols, showing the highest affinity for the conversion of farnesol into farnesal. Farnesol dehydrogenase activity was not detected in the CA of newly emerged mosquitoes but significant activity was detected 24 h later. Real time PCR experiments revealed that SDR-1 mRNA levels were very low in the inactive CA of the newly emerged female, but increased {\\textgreater}30-fold 24 h later during the peak of JH synthesis. These results suggest that oxidation of farnesol might be a rate-limiting step in JH III synthesis in adult mosquitoes.},\n\tnumber = {50},\n\tjournal = {Proceedings of the National Academy of Sciences},\n\tauthor = {Mayoral, Jaime G. and Nouzova, Marcela and Navare, Arti and Noriega, Fernando G.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {21091--21096},\n}\n\n\n\n
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\n The synthesis of juvenile hormone (JH) is an attractive target for control of insect pests and vectors of disease, but the minute size of the corpora allata (CA), the glands that synthesize JH, has made it difficult to identify important biosynthetic enzymes by classical biochemical approaches. Here, we report identification and characterization of an insect farnesol dehydrogenase (SDR-1) that oxidizes farnesol into farnesal, a precursor of JH, in the CA. SDR-1 was isolated as an EST in a library of the corpora allata-corpora cardiaca of the mosquito . The 245-amino acid protein presents the typical short-chain dehydrogenase (SDR) Rossmann-fold motif for nucleotide binding. This feature, together with other conserved sequence motifs, place SDR-1 into the “classical” NADP-dependent cP2 SDR subfamily. The gene is part of a group of highly conserved paralogs that cluster together in the mosquito genome; similar clusters of orthologs were found in other insect species. SDR-1 acts as a homodimer and efficiently oxidizes C to C isoprenoid and aliphatic alcohols, showing the highest affinity for the conversion of farnesol into farnesal. Farnesol dehydrogenase activity was not detected in the CA of newly emerged mosquitoes but significant activity was detected 24 h later. Real time PCR experiments revealed that SDR-1 mRNA levels were very low in the inactive CA of the newly emerged female, but increased \\textgreater30-fold 24 h later during the peak of JH synthesis. These results suggest that oxidation of farnesol might be a rate-limiting step in JH III synthesis in adult mosquitoes.\n
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\n \n\n \n \n \n \n \n \n Detection of Gamma-Hydroxybutyric Acid in Various Drink Matrices via AccuTOF-DART*.\n \n \n \n \n\n\n \n Bennett, M. J.; and Steiner, R. R.\n\n\n \n\n\n\n Journal of Forensic Sciences, 54(2): 370–375. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{bennett_detection_2009,\n\ttitle = {Detection of {Gamma}-{Hydroxybutyric} {Acid} in {Various} {Drink} {Matrices} via {AccuTOF}-{DART}*},\n\tvolume = {54},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2008.00955.x},\n\tdoi = {10.1111/j.1556-4029.2008.00955.x},\n\tabstract = {Abstract:  A new screening method for detecting gamma-hydroxybutyric acid (GHB) in drink matrices, using the IonSense, Inc. (Saugus, MA) direct analysis in real time (DART) ion source coupled to a JEOL exact mass time-of-flight mass spectrometer (AccuTOF), was validated and compared with the current screening methodology. The DART ion source allows for analysis of samples under ambient conditions with little to no sample preparation. Fifty drink specimens were spiked at levels of 1, 2, 3, and 4 mg/mL GHB, and analyzed on the AccuTOF-DART. Positive detection of GHB occurred for each of the samples at each concentration level, giving 100\\% accuracy for the samples tested. Twenty-five of the 50 drink specimens were spiked at 1 mg/mL GHB and tested using a color test known as the GHB Color Test \\#3. Only two of these 25 specimens tested positive for the presence of GHB, giving only 8\\% accuracy. Implementation of this new methodology as a screening tool for GHB analysis will quickly eliminate negative specimens allowing the examiner to focus analysis time on those that screened positive.},\n\tnumber = {2},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Bennett, Mark J. and Steiner, Robert R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF, Direct analysis in real time, Screening, controlled substances, forensic science, gamma-hydroxybutyrate, gamma-hydroxybutyric acid, mass spectrometry, time of flight},\n\tpages = {370--375},\n}\n\n\n\n
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\n Abstract:  A new screening method for detecting gamma-hydroxybutyric acid (GHB) in drink matrices, using the IonSense, Inc. (Saugus, MA) direct analysis in real time (DART) ion source coupled to a JEOL exact mass time-of-flight mass spectrometer (AccuTOF), was validated and compared with the current screening methodology. The DART ion source allows for analysis of samples under ambient conditions with little to no sample preparation. Fifty drink specimens were spiked at levels of 1, 2, 3, and 4 mg/mL GHB, and analyzed on the AccuTOF-DART. Positive detection of GHB occurred for each of the samples at each concentration level, giving 100% accuracy for the samples tested. Twenty-five of the 50 drink specimens were spiked at 1 mg/mL GHB and tested using a color test known as the GHB Color Test #3. Only two of these 25 specimens tested positive for the presence of GHB, giving only 8% accuracy. Implementation of this new methodology as a screening tool for GHB analysis will quickly eliminate negative specimens allowing the examiner to focus analysis time on those that screened positive.\n
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\n \n\n \n \n \n \n \n Ambient mass spectrometry employing direct analysis in real time (DART) ion source for olive oil quality and authenticity assessment.\n \n \n \n\n\n \n Vaclavik, L.; Cajka, T.; Hrbek, V.; and Hajslova, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 645(1-2): 56–63. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{vaclavik_ambient_2009,\n\ttitle = {Ambient mass spectrometry employing direct analysis in real time ({DART}) ion source for olive oil quality and authenticity assessment},\n\tvolume = {645},\n\tdoi = {10.1016/j.aca.2009.04.043},\n\tabstract = {A novel approach for the authentication of olive oil samples representing different quality grades has been developed. A new type of ion source, direct analysis in real time (DART), coupled to a high-resolution time-of-flight mass spectrometer (TOFMS) was employed for the comprehensive profiling of triacylglycerols (TAGs) and/or polar compounds extracted with a methanol–water mixture. The main parameters influencing the ionization efficiency of TAGs were the type of sample solvent, degree of sample dilution, ion beam temperature, and presence of a dopant (ammonia vapors). The ionization yield of polar compounds depended mainly on a content of water in the extract and ion beam temperature. Using DART–TOFMS, not only differentiation among extra virgin olive oil (EVOO), olive pomace oil (OPO) and olive oil (OO) could be easily achieved, but also EVOO adulteration with commonly used adulterant, hazelnut oil (HO), was feasible. Based on the linear discriminant analysis (LDA), the introduced method allowed detection of HO addition of 6 and 15\\% (v/v) when assessing DART–TOFMS mass profiles of polar compounds and TAGs, respectively.},\n\tnumber = {1-2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Vaclavik, Lukas and Cajka, Tomas and Hrbek, Vojtech and Hajslova, J.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {56--63},\n}\n\n\n\n
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\n A novel approach for the authentication of olive oil samples representing different quality grades has been developed. A new type of ion source, direct analysis in real time (DART), coupled to a high-resolution time-of-flight mass spectrometer (TOFMS) was employed for the comprehensive profiling of triacylglycerols (TAGs) and/or polar compounds extracted with a methanol–water mixture. The main parameters influencing the ionization efficiency of TAGs were the type of sample solvent, degree of sample dilution, ion beam temperature, and presence of a dopant (ammonia vapors). The ionization yield of polar compounds depended mainly on a content of water in the extract and ion beam temperature. Using DART–TOFMS, not only differentiation among extra virgin olive oil (EVOO), olive pomace oil (OPO) and olive oil (OO) could be easily achieved, but also EVOO adulteration with commonly used adulterant, hazelnut oil (HO), was feasible. Based on the linear discriminant analysis (LDA), the introduced method allowed detection of HO addition of 6 and 15% (v/v) when assessing DART–TOFMS mass profiles of polar compounds and TAGs, respectively.\n
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\n \n\n \n \n \n \n \n Combining Two-Dimensional Diffusion-Ordered Nuclear Magnetic Resonance Spectroscopy, Imaging Desorption Electrospray Ionization Mass Spectrometry, and Direct Analysis in Real-Time Mass Spectrometry for the Integral Investigation of Counterfeit Pharmaceuticals.\n \n \n \n\n\n \n Nyadong, L.; Harris, G. A.; Balayssac, S.; Galhena, A. S.; Malet-Martino, M.; Martino, R.; Parry, R. M.; Wang, M. D.; Fernández, F. M.; and Gilard, V.\n\n\n \n\n\n\n Analytical Chemistry, 81(12): 4803–4812. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{nyadong_combining_2009,\n\ttitle = {Combining {Two}-{Dimensional} {Diffusion}-{Ordered} {Nuclear} {Magnetic} {Resonance} {Spectroscopy}, {Imaging} {Desorption} {Electrospray} {Ionization} {Mass} {Spectrometry}, and {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry} for the {Integral} {Investigation} of {Counterfeit} {Pharmaceuticals}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tabstract = {During the past decade, there has been a marked increase in the number of reported cases involving counterfeit medicines in developing and developed countries. Particularly, artesunate-based antimalarial drugs have been targeted, because of their high demand and cost. Counterfeit antimalarials can cause death and can contribute to the growing problem of drug resistance, particularly in southeast Asia. In this study, the complementarity of two-dimensional diffusion-ordered 1H nuclear magnetic resonance spectroscopy (2D DOSY 1H NMR) with direct analysis in real-time mass spectrometry (DART MS) and desorption electrospray ionization mass spectrometry (DESI MS) was assessed for pharmaceutical forensic purposes. Fourteen different artesunate tablets, representative of what can be purchased from informal sources in southeast Asia, were investigated with these techniques. The expected active pharmaceutical ingredient was detected in only five formulations via both nuclear magnetic resonance (NMR) and mass spectrometry (MS) methods. Common organic excipients such as sucrose, lactose, stearate, dextrin, and starch were also detected. The graphical representation of DOSY 1H NMR results proved very useful for establishing similarities among groups of samples, enabling counterfeit drug “chemotyping”. In addition to bulk- and surface-average analyses, spatially resolved information on the surface composition of counterfeit and genuine antimalarial formulations was obtained using DESI MS that was performed in the imaging mode, which enabled one to visualize the homogeneity of both genuine and counterfeit drug samples. Overall, this study suggests that 2D DOSY 1H NMR, combined with ambient MS, comprises a powerful suite of instrumental analysis methodologies for the integral characterization of counterfeit antimalarials.},\n\tnumber = {12},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nyadong, Leonard and Harris, Glenn A. and Balayssac, Stephane and Galhena, Asiri S. and Malet-Martino, Myriam and Martino, Robert and Parry, R. Mitchell and Wang, May Dongmei and Fernández, Facundo M. and Gilard, Veronique},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {4803--4812},\n}\n\n\n\n
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\n During the past decade, there has been a marked increase in the number of reported cases involving counterfeit medicines in developing and developed countries. Particularly, artesunate-based antimalarial drugs have been targeted, because of their high demand and cost. Counterfeit antimalarials can cause death and can contribute to the growing problem of drug resistance, particularly in southeast Asia. In this study, the complementarity of two-dimensional diffusion-ordered 1H nuclear magnetic resonance spectroscopy (2D DOSY 1H NMR) with direct analysis in real-time mass spectrometry (DART MS) and desorption electrospray ionization mass spectrometry (DESI MS) was assessed for pharmaceutical forensic purposes. Fourteen different artesunate tablets, representative of what can be purchased from informal sources in southeast Asia, were investigated with these techniques. The expected active pharmaceutical ingredient was detected in only five formulations via both nuclear magnetic resonance (NMR) and mass spectrometry (MS) methods. Common organic excipients such as sucrose, lactose, stearate, dextrin, and starch were also detected. The graphical representation of DOSY 1H NMR results proved very useful for establishing similarities among groups of samples, enabling counterfeit drug “chemotyping”. In addition to bulk- and surface-average analyses, spatially resolved information on the surface composition of counterfeit and genuine antimalarial formulations was obtained using DESI MS that was performed in the imaging mode, which enabled one to visualize the homogeneity of both genuine and counterfeit drug samples. Overall, this study suggests that 2D DOSY 1H NMR, combined with ambient MS, comprises a powerful suite of instrumental analysis methodologies for the integral characterization of counterfeit antimalarials.\n
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\n \n\n \n \n \n \n \n Eucalypt smoke and wildfires: Temperature dependent emissions of biogenic volatile organic compounds.\n \n \n \n\n\n \n Maleknia, S.; Bell, T.; and Adam, M.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 279(2-3): 126–133. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{maleknia_eucalypt_2009,\n\ttitle = {Eucalypt smoke and wildfires: {Temperature} dependent emissions of biogenic volatile organic compounds},\n\tvolume = {279},\n\tabstract = {Eucalypt contributions to biogenic sources of volatile organic compounds (VOCs) in Australia are estimated at teragram (Tg = 1012 g) amounts each year. Biogenic VOCs include plant-specific isoprenoids (isoprene and a range of terpenes) and other reactive organic compounds (i.e., acids, aldehydes and ketones). Atmospheric reactions of VOCs are numerous and many have significant environmental impact. Wildfires\nincrease both the amounts of VOCs released and the complexity of their reactions. Proton-transfer reaction mass spectrometry (PTR-MS), gas chromatography mass spectrometry (GCMS) and direct analysis in real time (DART) mass spectrometry were applied to analyze release of VOCs as a function of temperatures ranging from ambient to combustion. PTR-MS enabled trace level analysis of VOCs from a complex\nforest atmosphere and revealed the release of terpenes associated with leaf damage during a storm. Temperature profile studies revealed ion abundances (i.e., emissions of VOCs) could be correlated with boiling points and vapor pressures of specific compounds. PTR-MS analysis of VOCs resulting from heating fresh leaf (E. grandis) material suggested that emissions of protonated methanol (m/z 33) and protonated\nacetaldehyde (m/z 45) were greatest at {\\textasciitilde}60 ◦C while m/z 137 and 153 (associated with a series of terpenes) showed monotonic increases in ion abundance over a wide temperature range from ambient to 200 ◦C. GCMS analysis of fresh and senescent leaves of E. grandis showed that a series of VOCs (ethylvinylketone, diethylketone, 2-ethylfuran, hexanal and hexenals) are present only in fresh leaves while several terpenes ( and  pinenes, -phellandrene, eucalyptol, -terpinene) were common in both. DART analysis of fresh leaf and stem of E. sideroxylon identified tissue-specific VOCs (e.g., methanol and ethanol were more abundant in stems). PTR-MS combustion studies of senescent leaves (E. grandis) identified two distinct, temperature-dependent VOC compositions. Before the appearance of smoke, the composition of VOCs remained consistent and correlated well with various naturally occurring isoprenoids, as observed in temperature profile studies. Sampling of eucalypt smoke suggested ions (m/z 75, 85, 87, 99, 111 and 125) correlated with protonated mass of oxygenated aldehydes, ketones, furans and substituted benzenes, and were due to pyrolysis of polycarbohydrates (cellulose and lignin) that are common in many types of wood.},\n\tnumber = {2-3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Maleknia, S.D. and Bell, T.L. and Adam, M.A.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {126--133},\n}\n\n\n\n
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\n\n\n
\n Eucalypt contributions to biogenic sources of volatile organic compounds (VOCs) in Australia are estimated at teragram (Tg = 1012 g) amounts each year. Biogenic VOCs include plant-specific isoprenoids (isoprene and a range of terpenes) and other reactive organic compounds (i.e., acids, aldehydes and ketones). Atmospheric reactions of VOCs are numerous and many have significant environmental impact. Wildfires increase both the amounts of VOCs released and the complexity of their reactions. Proton-transfer reaction mass spectrometry (PTR-MS), gas chromatography mass spectrometry (GCMS) and direct analysis in real time (DART) mass spectrometry were applied to analyze release of VOCs as a function of temperatures ranging from ambient to combustion. PTR-MS enabled trace level analysis of VOCs from a complex forest atmosphere and revealed the release of terpenes associated with leaf damage during a storm. Temperature profile studies revealed ion abundances (i.e., emissions of VOCs) could be correlated with boiling points and vapor pressures of specific compounds. PTR-MS analysis of VOCs resulting from heating fresh leaf (E. grandis) material suggested that emissions of protonated methanol (m/z 33) and protonated acetaldehyde (m/z 45) were greatest at ~60 ◦C while m/z 137 and 153 (associated with a series of terpenes) showed monotonic increases in ion abundance over a wide temperature range from ambient to 200 ◦C. GCMS analysis of fresh and senescent leaves of E. grandis showed that a series of VOCs (ethylvinylketone, diethylketone, 2-ethylfuran, hexanal and hexenals) are present only in fresh leaves while several terpenes ( and pinenes, -phellandrene, eucalyptol, -terpinene) were common in both. DART analysis of fresh leaf and stem of E. sideroxylon identified tissue-specific VOCs (e.g., methanol and ethanol were more abundant in stems). PTR-MS combustion studies of senescent leaves (E. grandis) identified two distinct, temperature-dependent VOC compositions. Before the appearance of smoke, the composition of VOCs remained consistent and correlated well with various naturally occurring isoprenoids, as observed in temperature profile studies. Sampling of eucalypt smoke suggested ions (m/z 75, 85, 87, 99, 111 and 125) correlated with protonated mass of oxygenated aldehydes, ketones, furans and substituted benzenes, and were due to pyrolysis of polycarbohydrates (cellulose and lignin) that are common in many types of wood.\n
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\n \n\n \n \n \n \n \n The Observation of Molecular Ions and Analysis of Nonpolar Compounds with the Direct Analysis in Real Time Ion Source.\n \n \n \n\n\n \n Cody, R. B.\n\n\n \n\n\n\n Analytical Chemistry, 81(3): 1101–1107. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cody_observation_2009,\n\ttitle = {The {Observation} of {Molecular} {Ions} and {Analysis} of {Nonpolar} {Compounds} with the {Direct} {Analysis} in {Real} {Time} {Ion} {Source}},\n\tvolume = {81},\n\tdoi = {10.1021/ac8022108},\n\tabstract = {Positive ions in the direct analysis in real time (DART) ion source are commonly formed by proton transfer. However, the DART source is similar to atmospheric pressure photoionization (APPI) in that it can produce molecular ions as well as protonated molecules, although the two sources differ in the initial ion formation process. This report discusses some of the factors that influence molecular ion formation in DART and shows how the DART source can be used to analyze “difficult” or nonpolar compounds such as alkanes and cholesterol. Trace reagent ions including NO+ and O2+· formed from atmospheric gases are shown to play important roles in DART ionization. The use of the DART source as a gas chromatography/mass spectrometry (GC/MS) interface is demonstrated to show the difference between mass spectra obtained using conditions that favor proton transfer and those that favor molecular ion formation.},\n\tnumber = {3},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Cody, R. B.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1101--1107},\n}\n\n\n\n
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\n Positive ions in the direct analysis in real time (DART) ion source are commonly formed by proton transfer. However, the DART source is similar to atmospheric pressure photoionization (APPI) in that it can produce molecular ions as well as protonated molecules, although the two sources differ in the initial ion formation process. This report discusses some of the factors that influence molecular ion formation in DART and shows how the DART source can be used to analyze “difficult” or nonpolar compounds such as alkanes and cholesterol. Trace reagent ions including NO+ and O2+· formed from atmospheric gases are shown to play important roles in DART ionization. The use of the DART source as a gas chromatography/mass spectrometry (GC/MS) interface is demonstrated to show the difference between mass spectra obtained using conditions that favor proton transfer and those that favor molecular ion formation.\n
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\n \n\n \n \n \n \n \n Ambient Mass Spectrometric Detection of Organometallic Compounds Using Direct Analysis in Real Time.\n \n \n \n\n\n \n Borges, D.; Sturgeon, R.; Welz, B.; Curtius, A.; and Mester, Z.\n\n\n \n\n\n\n Analytical Chemistry, 81(23): 9834–9839. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{borges_ambient_2009,\n\ttitle = {Ambient {Mass} {Spectrometric} {Detection} of {Organometallic} {Compounds} {Using} {Direct} {Analysis} in {Real} {Time}},\n\tvolume = {81},\n\tdoi = {10.1021/ac901778n},\n\tabstract = {The present work describes the mass spectrometric detection of organometallic compounds following their atmospheric pressure ionization using a commercial direct analysis in real time (DART) ion source. Several organometallic compounds of As, Fe, Hg, Pb, Se, and Sn were examined, and their corresponding mass spectra as well as induced fragmentation patterns were recorded. Gas phase sampling of the pure organometallic compounds or their solutions prepared in toluene generated temporally stable signals. For the majority of the compounds, the molecular ion or protonated molecule was detected; noticeable exceptions are the tetra-substituted compounds for which their less-substituted species dominated. The organometallic species were used as model compounds for a systematic investigation of the impact of operating parameters of the DART source, including gas temperature and electrode voltages. In general, results have shown that powering the electrodes designed to remove ions from the DART gas stream results in a reduction in signal intensity for most of the compounds investigated, suggesting that charged species from the plasma play an important role in the ionization process of the test analytes.},\n\tnumber = {23},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Borges, D.L.G. and Sturgeon, R.E. and Welz, B. and Curtius, A.J. and Mester, Z.},\n\tyear = {2009},\n\tkeywords = {Thermo LTQ},\n\tpages = {9834--9839},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n The present work describes the mass spectrometric detection of organometallic compounds following their atmospheric pressure ionization using a commercial direct analysis in real time (DART) ion source. Several organometallic compounds of As, Fe, Hg, Pb, Se, and Sn were examined, and their corresponding mass spectra as well as induced fragmentation patterns were recorded. Gas phase sampling of the pure organometallic compounds or their solutions prepared in toluene generated temporally stable signals. For the majority of the compounds, the molecular ion or protonated molecule was detected; noticeable exceptions are the tetra-substituted compounds for which their less-substituted species dominated. The organometallic species were used as model compounds for a systematic investigation of the impact of operating parameters of the DART source, including gas temperature and electrode voltages. In general, results have shown that powering the electrodes designed to remove ions from the DART gas stream results in a reduction in signal intensity for most of the compounds investigated, suggesting that charged species from the plasma play an important role in the ionization process of the test analytes.\n
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\n \n\n \n \n \n \n \n Direct analysis of curcumin in turmeric by DART-MS.\n \n \n \n\n\n \n Kim, H. J.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,published online. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kim_direct_2009,\n\ttitle = {Direct analysis of curcumin in turmeric by {DART}-{MS}},\n\tissn = {1099-1565},\n\tabstract = {Introduction\nThe new ion source technique, direct analysis in real time (DART) atmospheric pressure ionisation, allows high resolution mass measurements of gas, liquid and solid samples. As DART-MS produces [M + H]+ molecular ions of most compounds, relatively simple and clear mass spectra are obtained even of multi-component samples. In order to take advantage of the capacity of DART-MS for the real time analysis of individual compounds in natural raw materials, a pilot study was performed using the well-known antioxidant botanical drug, turmeric.\n\nObjective\nTo establish the analysis methods of curcumin and its derivatives from various types of samples with DART-MS and compare the efficiency of the method with traditional HPLC method.\n\nResults\nDifferent curcuminoids were successfully detected directly from the raw particles of Curcuma longa. When a turmeric extract was separated on a TLC plate, each band produced molecular ion peaks corresponding to curcumin, demethoxycurcumin and bisdemethoxycurcumin. Molecular ions of curcuminoids in turmeric-containing beverages and curry powder were also efficiently detected. In addition to high efficiency of qualitative analysis, the evaluation of its linearity showed that DART-MS can be applied for semi-quantitative determinations of curcumin over a large range (5-100 µg/mL).\n\nConclusion\nA simple chemical profiling and semi-quantitative method for natural products using DART-MS might be applied to diverse field related quality control of medicinal plants or food ingredients.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Jang, Young Pyo},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {published online},\n}\n\n\n\n
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\n Introduction The new ion source technique, direct analysis in real time (DART) atmospheric pressure ionisation, allows high resolution mass measurements of gas, liquid and solid samples. As DART-MS produces [M + H]+ molecular ions of most compounds, relatively simple and clear mass spectra are obtained even of multi-component samples. In order to take advantage of the capacity of DART-MS for the real time analysis of individual compounds in natural raw materials, a pilot study was performed using the well-known antioxidant botanical drug, turmeric. Objective To establish the analysis methods of curcumin and its derivatives from various types of samples with DART-MS and compare the efficiency of the method with traditional HPLC method. Results Different curcuminoids were successfully detected directly from the raw particles of Curcuma longa. When a turmeric extract was separated on a TLC plate, each band produced molecular ion peaks corresponding to curcumin, demethoxycurcumin and bisdemethoxycurcumin. Molecular ions of curcuminoids in turmeric-containing beverages and curry powder were also efficiently detected. In addition to high efficiency of qualitative analysis, the evaluation of its linearity showed that DART-MS can be applied for semi-quantitative determinations of curcumin over a large range (5-100 µg/mL). Conclusion A simple chemical profiling and semi-quantitative method for natural products using DART-MS might be applied to diverse field related quality control of medicinal plants or food ingredients.\n
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\n \n\n \n \n \n \n \n \n Quantitation of Chemical Warfare Agents Using the Direct Analysis in Real Time (DART) Technique.\n \n \n \n \n\n\n \n Nilles, J. M.; Connell, T. R.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 81(16): 6744–6749. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{nilles_quantitation_2009,\n\ttitle = {Quantitation of {Chemical} {Warfare} {Agents} {Using} the {Direct} {Analysis} in {Real} {Time} ({DART}) {Technique}},\n\tvolume = {81},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac900682f},\n\tdoi = {10.1021/ac900682f},\n\tabstract = {Direct analysis in real time (DART) is an ion source that permits rapid mass spectrometric detection of gases, liquids, and solids in open air under ambient conditions. It is a unique technology in the field of chemical weapons detectors in that it does not require a vapor pressure, does not require sample preparation, and is nondestructive to the original sample. While the DART technique has had success as a first line instrument of detection, there have been lingering doubts over the technique’s quantitative reliability and reproducibility. Here, we demonstrate its capability to produce linear calibration curves (R2 = 0.99 or better) for the nerve agents GA, GB, and VX as well as the blister agent HD. Independently prepared check standards measured against these curves typically have recovery errors less than 3\\%. We show the DART instrument response to be linear over roughly 3 orders of magnitude. Furthermore, this study shows that averaging as few as three measurements for each data point is sufficient to produce high quality calibration curves, thus reducing data collection time and providing quicker results.},\n\tnumber = {16},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nilles, J. Michael and Connell, Theresa R. and Durst, H. Dupont},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {6744--6749},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Direct analysis in real time (DART) is an ion source that permits rapid mass spectrometric detection of gases, liquids, and solids in open air under ambient conditions. It is a unique technology in the field of chemical weapons detectors in that it does not require a vapor pressure, does not require sample preparation, and is nondestructive to the original sample. While the DART technique has had success as a first line instrument of detection, there have been lingering doubts over the technique’s quantitative reliability and reproducibility. Here, we demonstrate its capability to produce linear calibration curves (R2 = 0.99 or better) for the nerve agents GA, GB, and VX as well as the blister agent HD. Independently prepared check standards measured against these curves typically have recovery errors less than 3%. We show the DART instrument response to be linear over roughly 3 orders of magnitude. Furthermore, this study shows that averaging as few as three measurements for each data point is sufficient to produce high quality calibration curves, thus reducing data collection time and providing quicker results.\n
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\n \n\n \n \n \n \n \n Pro-Inflammatory Enzymes, Cyclooxygenase 1, Cyclooxygenase 2, and 5-Lipooxygenase, Inhibited by Stabilized Rice Bran Extracts.\n \n \n \n\n\n \n Roschek Jr., B.; Fink, R. C.; Li, D.; McMichael, M.; Tower, C. M.; Smith, R. D.; and Alberte, R. S.\n\n\n \n\n\n\n Journal of Medicinal Food, 12(3): 615–623. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{roschek_jr._pro-inflammatory_2009,\n\ttitle = {Pro-{Inflammatory} {Enzymes}, {Cyclooxygenase} 1, {Cyclooxygenase} 2, and 5-{Lipooxygenase}, {Inhibited} by {Stabilized} {Rice} {Bran} {Extracts}},\n\tvolume = {12},\n\tdoi = {10.1089=jmf.2008.0133},\n\tabstract = {Rice bran, the outer bran and germ of the kernel and a by-product of rice milling, is rich in phytonutrients but\nhas been underutilized because of lipid content instability. New methods for the processing of rice bran have yielded a\nstabilized form that is increasingly used in foods and dietary supplements. Recent studies have documented a role for\nstabilized rice bran (SRB) in treating diabetes and arthritis, although little is known of the bioactive compounds that impart\nthese health benefits. Here we characterize the chemical composition of three extracts of SRB and identify the functional\nbioactives contributing to the inhibitory properties against three key pro-inflammatory enzymes (cyclooxygenase [COX] 1,\nCOX2, and 5-lipoxygenase [5-LOX]) that control the inflammatory cascade involved in impaired joint health, pain, and\narthritis. One extract (SRB-AI) demonstrated significant COX1 and COX2 inhibitory activities with 50\\% inhibitory concentration\n(IC50) values for COX1 and COX2 of 305 and 29 mg=mL, respectively, but no 5-LOX inhibition. The second\nextract (SRB-AII) inhibited COX1, COX2, and 5-LOX with IC50 values of 310, 19, and 396 mg=mL, respectively. The third\nextract (SRB-AIII), a blend of SRB-AI and SRB-AIII, inhibited COX1, COX2, and 5-LOX with respective IC50 values of 48,\n11, and 197 mg=mL. Analysis of the extracts by direct analysis in real time time of flight-mass spectrometry revealed that\nSRB-AI, SRB-AII, and SRB-AIII contain over 620, 770, and 810 compounds, respectively. Of these, 17 were identified as key\nbioactives for COX and=or LOX inhibition. These SRB extracts have applications for functional foods and dietary supplements\nfor control of inflammation and joint health.},\n\tnumber = {3},\n\tjournal = {Journal of Medicinal Food},\n\tauthor = {Roschek Jr., Bill and Fink, Ryan C. and Li, Dan and McMichael, Matthew and Tower, Christine M. and Smith, Robert D. and Alberte, Randall S.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {615--623},\n}\n\n\n\n
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\n Rice bran, the outer bran and germ of the kernel and a by-product of rice milling, is rich in phytonutrients but has been underutilized because of lipid content instability. New methods for the processing of rice bran have yielded a stabilized form that is increasingly used in foods and dietary supplements. Recent studies have documented a role for stabilized rice bran (SRB) in treating diabetes and arthritis, although little is known of the bioactive compounds that impart these health benefits. Here we characterize the chemical composition of three extracts of SRB and identify the functional bioactives contributing to the inhibitory properties against three key pro-inflammatory enzymes (cyclooxygenase [COX] 1, COX2, and 5-lipoxygenase [5-LOX]) that control the inflammatory cascade involved in impaired joint health, pain, and arthritis. One extract (SRB-AI) demonstrated significant COX1 and COX2 inhibitory activities with 50% inhibitory concentration (IC50) values for COX1 and COX2 of 305 and 29 mg=mL, respectively, but no 5-LOX inhibition. The second extract (SRB-AII) inhibited COX1, COX2, and 5-LOX with IC50 values of 310, 19, and 396 mg=mL, respectively. The third extract (SRB-AIII), a blend of SRB-AI and SRB-AIII, inhibited COX1, COX2, and 5-LOX with respective IC50 values of 48, 11, and 197 mg=mL. Analysis of the extracts by direct analysis in real time time of flight-mass spectrometry revealed that SRB-AI, SRB-AII, and SRB-AIII contain over 620, 770, and 810 compounds, respectively. Of these, 17 were identified as key bioactives for COX and=or LOX inhibition. These SRB extracts have applications for functional foods and dietary supplements for control of inflammation and joint health.\n
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\n \n\n \n \n \n \n \n \n An Improved Protocol for the Analysis of Alcohols by Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Nilles, J.; and Connell, T.\n\n\n \n\n\n\n American Laboratory, 41(7): 25–27. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{laramee_improved_2009,\n\ttitle = {An {Improved} {Protocol} for the {Analysis} of {Alcohols} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {41},\n\turl = {http://www.americanlaboratory.com/914-Application-Notes/673-An-Improved-Protocol-for-the-Analysis-of-Alcohols-by-Direct-Analysis-in-Real-Time-Mass-Spectrometry/},\n\tabstract = {It was previously reported1 that when Direct Analysis in Real Time (DART™) (JEOL USA, Inc., Peabody, MA) mass spectrometry was applied to the analysis of very pure alcohols, their mass spectra were unexpectedly complicated. The plethora of peaks was found to be a DART-induced artifact that resulted from the open-air nature of the technique. This problem was solved by converting the alcohol into its corresponding carbamate via an N-hydro-C-alkoxy-addition reaction (reaction 1) with phenyl isocyanate:\n\nROH + C6H5NCO → RO−C(O)NHC6H5 (1)\n\nAlthough this reaction conveniently allows alcohols to be DART’ed, the reaction time ranges from 1 to 16 hr. This obviously led the authors to test the hypothesis that shorter reaction times can be achieved by using activated phenyl isocyanates with proper ring substitution. It is now timely to report these results.},\n\tnumber = {7},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D. and Nilles, J.M. and Connell, T.R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {25--27},\n}\n\n\n\n
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\n It was previously reported1 that when Direct Analysis in Real Time (DART™) (JEOL USA, Inc., Peabody, MA) mass spectrometry was applied to the analysis of very pure alcohols, their mass spectra were unexpectedly complicated. The plethora of peaks was found to be a DART-induced artifact that resulted from the open-air nature of the technique. This problem was solved by converting the alcohol into its corresponding carbamate via an N-hydro-C-alkoxy-addition reaction (reaction 1) with phenyl isocyanate: ROH + C6H5NCO → RO−C(O)NHC6H5 (1) Although this reaction conveniently allows alcohols to be DART’ed, the reaction time ranges from 1 to 16 hr. This obviously led the authors to test the hypothesis that shorter reaction times can be achieved by using activated phenyl isocyanates with proper ring substitution. It is now timely to report these results.\n
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\n \n\n \n \n \n \n \n Screening of Cocaine and Its Metabolites in Human Urine Samples by Direct Analysis in Real-Time Source Coupled to Time-of-Flight Mass Spectrometry After Online Preconcentration Utilizing Microextraction by Packed Sorbent.\n \n \n \n\n\n \n Jagerdeo, E.; and Abdel-Rehim, M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(5): 891–899. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{jagerdeo_screening_2009,\n\ttitle = {Screening of {Cocaine} and {Its} {Metabolites} in {Human} {Urine} {Samples} by {Direct} {Analysis} in {Real}-{Time} {Source} {Coupled} to {Time}-of-{Flight} {Mass} {Spectrometry} {After} {Online} {Preconcentration} {Utilizing} {Microextraction} by {Packed} {Sorbent}},\n\tvolume = {20},\n\tdoi = {10.1016/j.jasms.2009.01.010},\n\tabstract = {Microextraction by packed sorbent (MEPS) has been evaluated for fast screening of drugs of abuse with mass spectrometric detection. In this study, C8 (octyl-silica, useful for nonpolar to moderately polar compounds), ENV+ (hydroxylated polystyrene-divinylbenzene copolymer, for extraction of aliphatic and aromatic polar compounds), Oasis MCX (sulfonic-poly(divinylbenzene-co-N-polyvinyl-pyrrolidone) copolymer), and Clean Screen DAU (mixed mode, ion exchanger for acidic and basic compounds) were used as sorbents for the MEPS. The focus was on fast extraction and preconcentration of the drugs with rapid analysis using a time-of-flight (TOF) mass spectrometer as the detector with direct analysis in a real-time (DART) source. The combination of an analysis time of less than 1 min and accurate mass of the first monoisotopic peak of the analyte and the relative abundances of the peaks in the isotopic clusters provided reliable information for identification. Furthermore, the study sought to demonstrate that it is possible to quantify the analyte of interest using a DART source when an internal standard is used. Of all the sorbents used in the study, Clean Screen DAU performed best for extraction of the analytes from urine. Using Clean Screen DAU to extract spiked samples containing the drugs, linearity was demonstrated for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene with average ranges of: 65–910, 75–1100, 95–1200, and 75–1100 ng/mL (n = 5), respectively. The limits of detection (LOD) for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene were 22.9 ng/mL, 23.7 ng/mL, 4.0 ng/mL, and 9.8 ng/mL respectively, using a signal-to-noise ratio of 3:1.},\n\tnumber = {5},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Jagerdeo, Eshwar and Abdel-Rehim, Mohamed},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {891--899},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Microextraction by packed sorbent (MEPS) has been evaluated for fast screening of drugs of abuse with mass spectrometric detection. In this study, C8 (octyl-silica, useful for nonpolar to moderately polar compounds), ENV+ (hydroxylated polystyrene-divinylbenzene copolymer, for extraction of aliphatic and aromatic polar compounds), Oasis MCX (sulfonic-poly(divinylbenzene-co-N-polyvinyl-pyrrolidone) copolymer), and Clean Screen DAU (mixed mode, ion exchanger for acidic and basic compounds) were used as sorbents for the MEPS. The focus was on fast extraction and preconcentration of the drugs with rapid analysis using a time-of-flight (TOF) mass spectrometer as the detector with direct analysis in a real-time (DART) source. The combination of an analysis time of less than 1 min and accurate mass of the first monoisotopic peak of the analyte and the relative abundances of the peaks in the isotopic clusters provided reliable information for identification. Furthermore, the study sought to demonstrate that it is possible to quantify the analyte of interest using a DART source when an internal standard is used. Of all the sorbents used in the study, Clean Screen DAU performed best for extraction of the analytes from urine. Using Clean Screen DAU to extract spiked samples containing the drugs, linearity was demonstrated for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene with average ranges of: 65–910, 75–1100, 95–1200, and 75–1100 ng/mL (n = 5), respectively. The limits of detection (LOD) for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene were 22.9 ng/mL, 23.7 ng/mL, 4.0 ng/mL, and 9.8 ng/mL respectively, using a signal-to-noise ratio of 3:1.\n
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\n \n\n \n \n \n \n \n Rapid and nondestructive analysis of phthalic acid esters in toys made of poly(vinyl chloride) by direct analysis in real time single-quadrupole mass spectrometry.\n \n \n \n\n\n \n Rothenbacher, T.; and Schwack, W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 23(17): 2829–2835. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{rothenbacher_rapid_2009,\n\ttitle = {Rapid and nondestructive analysis of phthalic acid esters in toys made of poly(vinyl chloride) by direct analysis in real time single-quadrupole mass spectrometry},\n\tvolume = {23},\n\tissn = {1097-0231},\n\tabstract = {In the European Community, selected phthalic acid esters (PAE) are restricted in their use for the manufacture of toys and childcare articles to a content of 0.1\\% by weight. As PAE are mainly used as plasticisers for poly(vinyl chloride) (PVC), a rapid screening method for PVC samples with direct analysis in real time ionisation and single-quadrupole mass spectrometry (DART-MS) was developed. Using the ions for the protonated molecules, a limit of detection (LOD) of 0.05\\% was obtained for benzyl butyl phthalate, bis(2-ethylhexyl) phthalate and diisononyl phthalate, while for dibutyl phthalate, di-n-octyl phthalate and diisodecyl phthalate the LOD was 0.1\\%. Validation of identification by the presence of ammonium adducts and characteristic fragment ions was possible to a content of ge1\\% for all PAE, except for benzyl butyl phthalate (ge5\\%). Based on the fragment ions, bis(2-ethylhexyl) phthalate could clearly be distinguished from di-n-octyl phthalate, if the concentrations were ge5\\% and ge1\\% at measured DART helium temperatures of 130 and 310°C, respectively. The complete analysis of one sample only took about 8 min. At the generally used gas temperature of 130°C, most toy and childcare samples did not sustain damage if their shape fitted into the DART source.},\n\tnumber = {17},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rothenbacher, Thorsten and Schwack, Wolfgang},\n\tyear = {2009},\n\tkeywords = {Agilent Quad},\n\tpages = {2829--2835},\n}\n\n\n\n
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\n In the European Community, selected phthalic acid esters (PAE) are restricted in their use for the manufacture of toys and childcare articles to a content of 0.1% by weight. As PAE are mainly used as plasticisers for poly(vinyl chloride) (PVC), a rapid screening method for PVC samples with direct analysis in real time ionisation and single-quadrupole mass spectrometry (DART-MS) was developed. Using the ions for the protonated molecules, a limit of detection (LOD) of 0.05% was obtained for benzyl butyl phthalate, bis(2-ethylhexyl) phthalate and diisononyl phthalate, while for dibutyl phthalate, di-n-octyl phthalate and diisodecyl phthalate the LOD was 0.1%. Validation of identification by the presence of ammonium adducts and characteristic fragment ions was possible to a content of ge1% for all PAE, except for benzyl butyl phthalate (ge5%). Based on the fragment ions, bis(2-ethylhexyl) phthalate could clearly be distinguished from di-n-octyl phthalate, if the concentrations were ge5% and ge1% at measured DART helium temperatures of 130 and 310°C, respectively. The complete analysis of one sample only took about 8 min. At the generally used gas temperature of 130°C, most toy and childcare samples did not sustain damage if their shape fitted into the DART source.\n
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\n \n\n \n \n \n \n \n \n Assessing direct analysis in real-time-mass spectrometry (DART-MS) for the rapid identification of additives in food packaging.\n \n \n \n \n\n\n \n Ackerman, L.; Noonan, G.; and Begley, T.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 26(12): 1611–1618. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AssessingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{ackerman_assessing_2009,\n\ttitle = {Assessing direct analysis in real-time-mass spectrometry ({DART}-{MS}) for the rapid identification of additives in food packaging},\n\tvolume = {26},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/02652030903232753},\n\tdoi = {10.1080/02652030903232753},\n\tabstract = {The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.\nThe ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.},\n\tnumber = {12},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Ackerman, L.K. and Noonan, G.O. and Begley, T.H.},\n\tyear = {2009},\n\tkeywords = {in-house validation; screening assays; food-contact materials; packaging additives; paper; plastics; Waters Triple Quad},\n\tpages = {1611--1618},\n}\n\n\n\n
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\n The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement. The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.\n
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\n \n\n \n \n \n \n \n Elderberry flavonoids bind to and prevent H1N1 infection in vitro.\n \n \n \n\n\n \n Roschek Jr., B.; Fink, R. C.; McMichael, M. D.; Li, D.; and Alberte, R. S.\n\n\n \n\n\n\n Phytochemistry, 70(10): 1255–1262. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{roschek_jr._elderberry_2009,\n\ttitle = {Elderberry flavonoids bind to and prevent {H1N1} infection in vitro},\n\tvolume = {70},\n\tdoi = {10.1016/j.phytochem.2009.06.003},\n\tabstract = {A ionization technique in mass spectrometry called Direct Analysis in Real Time Mass Spectrometry (DART TOF-MS) coupled with a Direct Binding Assay was used to identify and characterize anti-viral components of an elderberry fruit (Sambucus nigra L.) extract without either derivatization or separation by standard chromatographic techniques. The elderberry extract inhibited Human Influenza A (H1N1) infection in vitro with an IC50 value of 252 ± 34 μg/mL. The Direct Binding Assay established that flavonoids from the elderberry extract bind to H1N1 virions and, when bound, block the ability of the viruses to infect host cells. Two compounds were identified, 5,7,3′,4′-tetra-O-methylquercetin (1) and 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chroman-3-yl-3,4,5-trihydroxycyclohexanecarboxylate (2), as H1N1-bound chemical species. Compound 1 and dihydromyricetin (3), the corresponding 3-hydroxyflavonone of 2, were synthesized and shown to inhibit H1N1 infection in vitro by binding to H1N1 virions, blocking host cell entry and/or recognition. Compound 1 gave an IC50 of 0.13 μg/mL (0.36 μM) for H1N1 infection inhibition, while dihydromyricetin (3) achieved an IC50 of 2.8 μg/mL (8.7 μM). The H1N1 inhibition activities of the elderberry flavonoids compare favorably to the known anti-influenza activities of Oseltamivir (Tamiflu®; 0.32 μM) and Amantadine (27 μM).},\n\tnumber = {10},\n\tjournal = {Phytochemistry},\n\tauthor = {Roschek Jr., Bill and Fink, Ryan C. and McMichael, Matthew D. and Li, Dan and Alberte, Randall S.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1255--1262},\n}\n\n\n\n
\n
\n\n\n
\n A ionization technique in mass spectrometry called Direct Analysis in Real Time Mass Spectrometry (DART TOF-MS) coupled with a Direct Binding Assay was used to identify and characterize anti-viral components of an elderberry fruit (Sambucus nigra L.) extract without either derivatization or separation by standard chromatographic techniques. The elderberry extract inhibited Human Influenza A (H1N1) infection in vitro with an IC50 value of 252 ± 34 μg/mL. The Direct Binding Assay established that flavonoids from the elderberry extract bind to H1N1 virions and, when bound, block the ability of the viruses to infect host cells. Two compounds were identified, 5,7,3′,4′-tetra-O-methylquercetin (1) and 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chroman-3-yl-3,4,5-trihydroxycyclohexanecarboxylate (2), as H1N1-bound chemical species. Compound 1 and dihydromyricetin (3), the corresponding 3-hydroxyflavonone of 2, were synthesized and shown to inhibit H1N1 infection in vitro by binding to H1N1 virions, blocking host cell entry and/or recognition. Compound 1 gave an IC50 of 0.13 μg/mL (0.36 μM) for H1N1 infection inhibition, while dihydromyricetin (3) achieved an IC50 of 2.8 μg/mL (8.7 μM). The H1N1 inhibition activities of the elderberry flavonoids compare favorably to the known anti-influenza activities of Oseltamivir (Tamiflu®; 0.32 μM) and Amantadine (27 μM).\n
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\n \n\n \n \n \n \n \n Temperature-dependent release of volatile organic compounds of eucalypts by direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Maleknia, S. D.; Vail, T. M.; Cody, R. B.; Sparkman, D. O.; Bell, T. L.; and Adams, M. A.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 23(15): 2241–2246. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{maleknia_temperature-dependent_2009,\n\ttitle = {Temperature-dependent release of volatile organic compounds of eucalypts by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {23},\n\tissn = {1097-0231},\n\tabstract = {A method is described for the rapid identification of biogenic, volatile organic compounds (VOCs) emitted by plants, including the analysis of the temperature dependence of those emissions. Direct analysis in real time (DART) enabled ionization of VOCs from stem and leaf of several eucalyptus species including E. cinerea, E. citriodora, E. nicholii and E. sideroxylon. Plant tissues were placed directly in the gap between the DART ionization source skimmer and the capillary inlet of the time-of-flight (TOF) mass spectrometer. Temperature-dependent emission of VOCs was achieved by adjusting the temperature of the helium gas into the DART ionization source at 50, 100, 200 and 300°C, which enabled direct evaporation of compounds, up to the onset of pyrolysis of plant fibres (i.e. cellulose and lignin). Accurate mass measurements facilitated by TOF mass spectrometry provided elemental compositions for the VOCs. A wide range of compounds was detected from simple organic compounds (i.e. methanol and acetone) to a series of monoterpenes (i.e. pinene, camphene, cymene, eucalyptol) common to many plant species, as well as several less abundant sesquiterpenes and flavonoids (i.e. naringenin, spathulenol, eucalyptin) with antioxidant and antimicrobial properties. The leaf and stem tissues for all four eucalypt species showed similar compounds. The relative abundances of methanol and ethanol were greater in stem wood than in leaf tissue suggesting that DART could be used to investigate the tissue-specific transport and emissions of VOCs.},\n\tnumber = {15},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Maleknia, Simin D. and Vail, Teresa M. and Cody, Robert B. and Sparkman, David O. and Bell, Tina L. and Adams, Mark A.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {2241--2246},\n}\n\n\n\n
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\n\n\n
\n A method is described for the rapid identification of biogenic, volatile organic compounds (VOCs) emitted by plants, including the analysis of the temperature dependence of those emissions. Direct analysis in real time (DART) enabled ionization of VOCs from stem and leaf of several eucalyptus species including E. cinerea, E. citriodora, E. nicholii and E. sideroxylon. Plant tissues were placed directly in the gap between the DART ionization source skimmer and the capillary inlet of the time-of-flight (TOF) mass spectrometer. Temperature-dependent emission of VOCs was achieved by adjusting the temperature of the helium gas into the DART ionization source at 50, 100, 200 and 300°C, which enabled direct evaporation of compounds, up to the onset of pyrolysis of plant fibres (i.e. cellulose and lignin). Accurate mass measurements facilitated by TOF mass spectrometry provided elemental compositions for the VOCs. A wide range of compounds was detected from simple organic compounds (i.e. methanol and acetone) to a series of monoterpenes (i.e. pinene, camphene, cymene, eucalyptol) common to many plant species, as well as several less abundant sesquiterpenes and flavonoids (i.e. naringenin, spathulenol, eucalyptin) with antioxidant and antimicrobial properties. The leaf and stem tissues for all four eucalypt species showed similar compounds. The relative abundances of methanol and ethanol were greater in stem wood than in leaf tissue suggesting that DART could be used to investigate the tissue-specific transport and emissions of VOCs.\n
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\n \n\n \n \n \n \n \n \n Validation of the Direct Analysis in Real Time Source for Use in Forensic Drug Screening.\n \n \n \n \n\n\n \n Steiner, R. R.; and Larson, R. L.\n\n\n \n\n\n\n Journal of Forensic Sciences, 54(3): 617–622. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{steiner_validation_2009,\n\ttitle = {Validation of the {Direct} {Analysis} in {Real} {Time} {Source} for {Use} in {Forensic} {Drug} {Screening}},\n\tvolume = {54},\n\tissn = {00221198, 15564029},\n\turl = {http://doi.wiley.com/10.1111/j.1556-4029.2009.01006.x},\n\tdoi = {10.1111/j.1556-4029.2009.01006.x},\n\tabstract = {The Direct Analysis in Real Time (DART) ion source is a relatively new mass spectrometry technique that is seeing widespread use in chemical analyses world-wide. DART studies include such diverse topics as analysis of flavors and fragrances, melamine in contaminated dog food, differentiation of writing inks, characterization of solid counterfeit drugs, and as a detector for planar chromatography. Validation of this new technique for the rapid screening of forensic evidence for drugs of abuse, utilizing the DART source coupled to an accurate mass time-of-flight mass spectrometer, was conducted. The study consisted of the determination of the lower limit of detection for the method, determination of selectivity and a comparison of this technique to established analytical protocols. Examples of DART spectra are included. The results of this study have allowed the Virginia Department of Forensic Science to incorporate this new technique into their analysis scheme for the screening of solid dosage forms of drugs of abuse.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Steiner, Robert R. and Larson, Robyn L.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {617--622},\n}\n\n\n\n
\n
\n\n\n
\n The Direct Analysis in Real Time (DART) ion source is a relatively new mass spectrometry technique that is seeing widespread use in chemical analyses world-wide. DART studies include such diverse topics as analysis of flavors and fragrances, melamine in contaminated dog food, differentiation of writing inks, characterization of solid counterfeit drugs, and as a detector for planar chromatography. Validation of this new technique for the rapid screening of forensic evidence for drugs of abuse, utilizing the DART source coupled to an accurate mass time-of-flight mass spectrometer, was conducted. The study consisted of the determination of the lower limit of detection for the method, determination of selectivity and a comparison of this technique to established analytical protocols. Examples of DART spectra are included. The results of this study have allowed the Virginia Department of Forensic Science to incorporate this new technique into their analysis scheme for the screening of solid dosage forms of drugs of abuse.\n
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\n \n\n \n \n \n \n \n \n Alcohols Can Now Be Analyzed by a Direct Analysis in Real-Time Method: Applications for Chemical Warfare Agent Synthesis.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Nilles, J.; and Connell, T.\n\n\n \n\n\n\n American Laboratory, 41(4): 24–27. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AlcoholsPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramee_alcohols_2009,\n\ttitle = {Alcohols {Can} {Now} {Be} {Analyzed} by a {Direct} {Analysis} in {Real}-{Time} {Method}: {Applications} for {Chemical} {Warfare} {Agent} {Synthesis}},\n\tvolume = {41},\n\turl = {http://www.americanlaboratory.com/914-Application-Notes/652-Alcohols-Can-Now-Be-Analyzed-by-a-Direct-Analysis-in-Real-Time-Method-Applications-for-Chemical-Warfare-Agent-Synthesis/},\n\tabstract = {The cardinal principle for an operation involving chemical agents is to limit the potential exposure to a minimum number of personnel, for a minimum period of time, to a minimum amount of the chemical agent consistent with safe and efficient operations.1 This requires that the synthetic schemes be rapid and free from unnecessary by-products that would require otherwise further sample handling. Thus, acid/base chemistries with alcohols as intermediates are often used to synthesize phosphonofluoridates, phosphoramidocyanidate, and phosphonothioates.\n\nDovetailing into the cardinal principle is the need for a rapid chemical analysis method that can accurately confirm the identity and purity of the starting materials, intermediates, and final product(s). In order to accomplish these objectives, the U.S. Army’s Edgewood Chemical Biological Center (ECBC) has been using the Direct Analysis in Real Time (DART™) method (JEOL USA, Inc., Peabody, MA) since 2002.2 Since that time, a flurry of other open-air methods based on the use of metastable species has been seen.\n\nDuring the course of a large synthesis project comprising many organophosphorus compounds and their isotopically labeled analogs, it was observed that the DART datum for labeled alcohol intermediates neither corroborated the nuclear magnetic resonance (NMR) datum nor the GC-MS datum. Yet the data from these three analytical methods were in agreement when the final chemical agent product was analyzed. An investigation was initiated in order to discover the cause of this discrepancy, and a procedure was developed that allowed alcohols and organophosphorus intermediates to be analyzed by DART.},\n\tnumber = {4},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D. and Nilles, J.M. and Connell, T.R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {24--27},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The cardinal principle for an operation involving chemical agents is to limit the potential exposure to a minimum number of personnel, for a minimum period of time, to a minimum amount of the chemical agent consistent with safe and efficient operations.1 This requires that the synthetic schemes be rapid and free from unnecessary by-products that would require otherwise further sample handling. Thus, acid/base chemistries with alcohols as intermediates are often used to synthesize phosphonofluoridates, phosphoramidocyanidate, and phosphonothioates. Dovetailing into the cardinal principle is the need for a rapid chemical analysis method that can accurately confirm the identity and purity of the starting materials, intermediates, and final product(s). In order to accomplish these objectives, the U.S. Army’s Edgewood Chemical Biological Center (ECBC) has been using the Direct Analysis in Real Time (DART™) method (JEOL USA, Inc., Peabody, MA) since 2002.2 Since that time, a flurry of other open-air methods based on the use of metastable species has been seen. During the course of a large synthesis project comprising many organophosphorus compounds and their isotopically labeled analogs, it was observed that the DART datum for labeled alcohol intermediates neither corroborated the nuclear magnetic resonance (NMR) datum nor the GC-MS datum. Yet the data from these three analytical methods were in agreement when the final chemical agent product was analyzed. An investigation was initiated in order to discover the cause of this discrepancy, and a procedure was developed that allowed alcohols and organophosphorus intermediates to be analyzed by DART.\n
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\n \n\n \n \n \n \n \n \n Identification of active ingredients in dietary supplements using non-destructive mass spectrometry and liquid chromatography–mass spectrometry.\n \n \n \n \n\n\n \n Saka, K.; Konuma, K.; Asai, S.; Unuma, K.; Nakajima, M.; and Yoshida, K.\n\n\n \n\n\n\n Forensic Science International, 191(1-3): e5–e10. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{saka_identification_2009,\n\ttitle = {Identification of active ingredients in dietary supplements using non-destructive mass spectrometry and liquid chromatography–mass spectrometry},\n\tvolume = {191},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073809002898},\n\tdoi = {10.1016/j.forsciint.2009.07.007},\n\tabstract = {A mid-forties woman purchased seven different dietary supplements from Thailand on the internet and subsequently died after taking these supplements. Since there were no ingredient labels on the supplements, we identified the active ingredients using direct analysis in real time–mass spectrometry (DART–MS), direct exposure probe–MS (DEP–MS), and liquid chromatography–MS (LC–MS). DART–MS gives exact molecular weights and DEP–MS shows the fragmentation of a molecule by electron ionization. Analyses using these two instruments are rapid and do not require extraction of the sample. The compounds predicted by DART–MS and DEP–MS were confirmed by LC–MS and the active ingredients of the seven dietary supplements were identified.},\n\tnumber = {1-3},\n\turldate = {2012-04-18},\n\tjournal = {Forensic Science International},\n\tauthor = {Saka, Kanju and Konuma, Kiyotaka and Asai, Shigehiro and Unuma, Kana and Nakajima, Makoto and Yoshida, Ken-ichi},\n\tyear = {2009},\n\tkeywords = {Dietary supplements; Direct analysis in real time; Direct exposure probe; Liquid chromatography–mass spectrometry; AccuTOF},\n\tpages = {e5--e10},\n}\n\n\n\n
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\n A mid-forties woman purchased seven different dietary supplements from Thailand on the internet and subsequently died after taking these supplements. Since there were no ingredient labels on the supplements, we identified the active ingredients using direct analysis in real time–mass spectrometry (DART–MS), direct exposure probe–MS (DEP–MS), and liquid chromatography–MS (LC–MS). DART–MS gives exact molecular weights and DEP–MS shows the fragmentation of a molecule by electron ionization. Analyses using these two instruments are rapid and do not require extraction of the sample. The compounds predicted by DART–MS and DEP–MS were confirmed by LC–MS and the active ingredients of the seven dietary supplements were identified.\n
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\n \n\n \n \n \n \n \n Ionization Mechanism of Positive-Ion Direct Analysis in Real Time: A Transient Microenvironment Concept.\n \n \n \n\n\n \n Song, L.; Gibson, S. C.; Bhandari, D.; Cook, K. D.; and Bartmess, J. E.\n\n\n \n\n\n\n Analytical Chemistry, 81(24): 10080–10088. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{song_ionization_2009,\n\ttitle = {Ionization {Mechanism} of {Positive}-{Ion} {Direct} {Analysis} in {Real} {Time}: {A} {Transient} {Microenvironment} {Concept}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tdoi = {10.1021/ac901122b},\n\tabstract = {A transient microenvironment mechanism (TMEM) is proposed to address matrix effects for direct analysis in real time (DART). When the DART gas stream is in contact with the sample, a transient microenvironment (TME), which can shield analytes from direct ionization, may be generated through the desorption of the matrix containing the analyte. The DART gas stream can directly ionize the matrix molecules, but the analytes will be ionized primarily through gas-phase ion/molecule reactions with the matrix ions. Experimental results showed that as little as 10 nL of liquid or 10 μg of solid was able to generate an efficient TME. Generated TMEs were able to control the ionization of an analyte below an analyte-to-matrix ratio that was dependent on the DART temperature and the boiling points of the analyte and matrix. TMEs generated by common solvents were studied in detail. The ionization of both polar and nonpolar compounds, present in a solvent or another analyte below a ratio of 1:100, were found to be mainly controlled by the generated TMEs at a DART temperature of 300 °C.},\n\tnumber = {24},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Song, Liguo and Gibson, Stephen C. and Bhandari, Deepak and Cook, Kelsey D. and Bartmess, John E.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {10080--10088},\n}\n\n\n\n
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\n A transient microenvironment mechanism (TMEM) is proposed to address matrix effects for direct analysis in real time (DART). When the DART gas stream is in contact with the sample, a transient microenvironment (TME), which can shield analytes from direct ionization, may be generated through the desorption of the matrix containing the analyte. The DART gas stream can directly ionize the matrix molecules, but the analytes will be ionized primarily through gas-phase ion/molecule reactions with the matrix ions. Experimental results showed that as little as 10 nL of liquid or 10 μg of solid was able to generate an efficient TME. Generated TMEs were able to control the ionization of an analyte below an analyte-to-matrix ratio that was dependent on the DART temperature and the boiling points of the analyte and matrix. TMEs generated by common solvents were studied in detail. The ionization of both polar and nonpolar compounds, present in a solvent or another analyte below a ratio of 1:100, were found to be mainly controlled by the generated TMEs at a DART temperature of 300 °C.\n
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\n \n\n \n \n \n \n \n Simulations and Experimental Investigation of Atmospheric Transport in an Ambient Metastable-Induced Chemical Ionization Source.\n \n \n \n\n\n \n Harris, G. A.; and Fernandez, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 81(1): 322–329. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{harris_simulations_2009,\n\ttitle = {Simulations and {Experimental} {Investigation} of {Atmospheric} {Transport} in an {Ambient} {Metastable}-{Induced} {Chemical} {Ionization} {Source}},\n\tvolume = {81},\n\tdoi = {10.1021/ac802117u},\n\tabstract = {Since its inception, Direct Analysis in Real Time (DART) has seen utility in a wide range of applications including chemical reaction monitoring, pharmaceutical screening, and forensic mass spectrometry. Despite the growing interest in DART applications, there has been limited research into the fundamental physiochemical phenomena affecting sampling, ionization, and atmospheric ion transport. Presented here are the first experimentally validated finite element method simulations of an ambient DART-type metastable-induced chemical ionization source. It was found that complex coupled fluid dynamics, heat transfer, and electrostatic phenomena within the sampling region determine the variability in ion transmission efficiencies affecting the overall sensitivity of analysis. Particle tracing plots of a circular acetaminophen tablet placed in various positions and orientations yielded insight into optimal sample placement and evidence for sweet spots conducive to better ion transport. Experiments in a wide range of electric field conditions were performed, finding that under optimum sample placement, sensitivity could be improved by as much as 128\\% if ion mobility contributions were minimized.},\n\tnumber = {1},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Harris, Glenn A. and Fernandez, Facundo M.},\n\tyear = {2009},\n\tkeywords = {simulation},\n\tpages = {322--329},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Since its inception, Direct Analysis in Real Time (DART) has seen utility in a wide range of applications including chemical reaction monitoring, pharmaceutical screening, and forensic mass spectrometry. Despite the growing interest in DART applications, there has been limited research into the fundamental physiochemical phenomena affecting sampling, ionization, and atmospheric ion transport. Presented here are the first experimentally validated finite element method simulations of an ambient DART-type metastable-induced chemical ionization source. It was found that complex coupled fluid dynamics, heat transfer, and electrostatic phenomena within the sampling region determine the variability in ion transmission efficiencies affecting the overall sensitivity of analysis. Particle tracing plots of a circular acetaminophen tablet placed in various positions and orientations yielded insight into optimal sample placement and evidence for sweet spots conducive to better ion transport. Experiments in a wide range of electric field conditions were performed, finding that under optimum sample placement, sensitivity could be improved by as much as 128% if ion mobility contributions were minimized.\n
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\n \n\n \n \n \n \n \n Elementary Guide to Ionization Methods for Mass Spectrometry− Introduction of Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Konuma, K.\n\n\n \n\n\n\n Bunseki, 9: 464–467. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{konuma_elementary_2009,\n\ttitle = {Elementary {Guide} to {Ionization} {Methods} for {Mass} {Spectrometry}− {Introduction} of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {9},\n\tjournal = {Bunseki},\n\tauthor = {Konuma, K.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {464--467},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Simple and Rapid Screening for Psychotropic Natural Products Using Direct Analysis in Real Time (DART)-TOFMS.\n \n \n \n\n\n \n Kawamura, M.; Kikura-Hanajiri, R.; and Goda, Y.\n\n\n \n\n\n\n Yakugaku Zasshi, 129: 719–725. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{kawamura_simple_2009,\n\ttitle = {Simple and {Rapid} {Screening} for {Psychotropic} {Natural} {Products} {Using} {Direct} {Analysis} in {Real} {Time} ({DART})-{TOFMS}},\n\tvolume = {129},\n\tdoi = {10.1248/yakushi.129.719},\n\tabstract = {Direct Analysis in Real Time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. To investigate the trend of non-controlled psychotropic plants of abuse in Japan, a rapid screening method, without sample preparation, was developed using DART-time of flight mass spectrometer (TOFMS) for plant products. The major psychotropic constituents of these products were determined using liquid chromatography-mass spectrometry (LC/MS). As a result of the DART-TOFMS analyses of 36 products, the protonated molecular ions [M+H]+, corresponding to 6 kinds of major hallucinogenic constituents (mescaline, salvinorin A, N,N-dimethyltryptamine, harmine, harmaline and lysergamide), were detected in 21 products. It was possible to estimate their accurate elemental compositions through exact mass measurements. These results were consistent with those of the LC/MS analyses and the contents of the 6 psychotropic constituents were in the range from 0.05 to 45 μg/mg. Typical controlled narcotic drugs, tetrahydrocannabinol, opioid alkaloids and psilocin were also directly detected in marijuana cigarette, opium gum and magic mushroom respectively. Although it is difficult to estimate the matrix effects caused by other plant ingredients, the DART-TOFMS could be useful as a simple and rapid screening method for the targeted psychotropic natural products, because it provides the molecular information of the target compounds without time-consuming extraction and pre-treatment steps.},\n\tjournal = {Yakugaku Zasshi},\n\tauthor = {Kawamura, M. and Kikura-Hanajiri, R. and Goda, Y.},\n\tyear = {2009},\n\tkeywords = {DART; AccuTOF, Direct Analysis in Real Time (DART); TOFMS; LC/MS; psychotropic plants},\n\tpages = {719--725},\n}\n\n\n\n
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\n Direct Analysis in Real Time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. To investigate the trend of non-controlled psychotropic plants of abuse in Japan, a rapid screening method, without sample preparation, was developed using DART-time of flight mass spectrometer (TOFMS) for plant products. The major psychotropic constituents of these products were determined using liquid chromatography-mass spectrometry (LC/MS). As a result of the DART-TOFMS analyses of 36 products, the protonated molecular ions [M+H]+, corresponding to 6 kinds of major hallucinogenic constituents (mescaline, salvinorin A, N,N-dimethyltryptamine, harmine, harmaline and lysergamide), were detected in 21 products. It was possible to estimate their accurate elemental compositions through exact mass measurements. These results were consistent with those of the LC/MS analyses and the contents of the 6 psychotropic constituents were in the range from 0.05 to 45 μg/mg. Typical controlled narcotic drugs, tetrahydrocannabinol, opioid alkaloids and psilocin were also directly detected in marijuana cigarette, opium gum and magic mushroom respectively. Although it is difficult to estimate the matrix effects caused by other plant ingredients, the DART-TOFMS could be useful as a simple and rapid screening method for the targeted psychotropic natural products, because it provides the molecular information of the target compounds without time-consuming extraction and pre-treatment steps.\n
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\n \n\n \n \n \n \n \n \n Bioanalysis without Sample Cleanup or Chromatography: The Evaluation and Initial Implementation of Direct Analysis in Real Time Ionization Mass Spectrometry for the Quantification of Drugs in Biological Matrixes.\n \n \n \n \n\n\n \n Yu, S.; Crawford, E.; Tice, J.; Musselman, B.; and Wu, J.\n\n\n \n\n\n\n Analytical Chemistry, 81(1): 193–202. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"BioanalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{yu_bioanalysis_2009,\n\ttitle = {Bioanalysis without {Sample} {Cleanup} or {Chromatography}: {The} {Evaluation} and {Initial} {Implementation} of {Direct} {Analysis} in {Real} {Time} {Ionization} {Mass} {Spectrometry} for the {Quantification} of {Drugs} in {Biological} {Matrixes}},\n\tvolume = {81},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Bioanalysis without {Sample} {Cleanup} or {Chromatography}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac801734t},\n\tdoi = {10.1021/ac801734t},\n\tabstract = {Two key bottlenecks in pharmaceutical bioanalysis are sample cleanup and chromatographic separations. Although multiple approaches have been developed in the past decade to either shorten or multiplex these steps, they remain the rate limiting steps as ADME (Absorption, Distribution, Metabolism, and Excretion) property screening is being routinely incorporated into the drug discovery process. In this work, a novel system incorporating an automated Direct Analysis in Real Time (DART) ionization source coupled with a triple-quadrupole mass spectrometer has been developed and evaluated for quantitative bioanalysis. This system has the capability of directly analyzing samples from their biological matrixes and therefore potentially eliminating the need for sample cleanup and chromatographic separations. A LEAP Technologies autosampler was customized to perform the automated sample introduction into the DART beam with high precision, which significantly improved the reproducibility of the method. Additional pumping was applied to the atmospheric pressure inlet on the mass spectrometer to compensate for the increased vacuum load because of the use of high-flow helium by the DART. This resulted in an improvement of detection sensitivity by a factor of 10 to 100 times. Matrix effects for a diversified class of compounds were evaluated directly from untreated raw plasma and were found to range from approximately 0.05 to 0.7. Precision and accuracy were also tested for multiple test compounds over a dynamic range of four orders of magnitude. The system has been used to analyze biological samples from both in vivo pharmacokinetic studies and in vitro microsomal/S9 stability studies, and the results generated were similar to those obtained with conventional LC/MS/MS methods. Overall, this new automated DART-triple quadrupole mass spectrometer system has demonstrated significant potential for high-throughput bioanalysis.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Yu, Shaoxia and Crawford, Elizabeth and Tice, Joe and Musselman, Brian and Wu, Jing-Tao},\n\tyear = {2009},\n\tkeywords = {Applied Biosystems Triple Quad},\n\tpages = {193--202},\n}\n\n\n\n
\n
\n\n\n
\n Two key bottlenecks in pharmaceutical bioanalysis are sample cleanup and chromatographic separations. Although multiple approaches have been developed in the past decade to either shorten or multiplex these steps, they remain the rate limiting steps as ADME (Absorption, Distribution, Metabolism, and Excretion) property screening is being routinely incorporated into the drug discovery process. In this work, a novel system incorporating an automated Direct Analysis in Real Time (DART) ionization source coupled with a triple-quadrupole mass spectrometer has been developed and evaluated for quantitative bioanalysis. This system has the capability of directly analyzing samples from their biological matrixes and therefore potentially eliminating the need for sample cleanup and chromatographic separations. A LEAP Technologies autosampler was customized to perform the automated sample introduction into the DART beam with high precision, which significantly improved the reproducibility of the method. Additional pumping was applied to the atmospheric pressure inlet on the mass spectrometer to compensate for the increased vacuum load because of the use of high-flow helium by the DART. This resulted in an improvement of detection sensitivity by a factor of 10 to 100 times. Matrix effects for a diversified class of compounds were evaluated directly from untreated raw plasma and were found to range from approximately 0.05 to 0.7. Precision and accuracy were also tested for multiple test compounds over a dynamic range of four orders of magnitude. The system has been used to analyze biological samples from both in vivo pharmacokinetic studies and in vitro microsomal/S9 stability studies, and the results generated were similar to those obtained with conventional LC/MS/MS methods. Overall, this new automated DART-triple quadrupole mass spectrometer system has demonstrated significant potential for high-throughput bioanalysis.\n
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\n \n\n \n \n \n \n \n Identification of a cannabimimetic indole as a designer drug in a herbal product.\n \n \n \n\n\n \n Uchiyama, N.; Kikura-Hanajiri, R.; Kawahara, N.; and Goda, Y.\n\n\n \n\n\n\n Forensic Toxicology, 27(2): 61–66. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{uchiyama_identification_2009,\n\ttitle = {Identification of a cannabimimetic indole as a designer drug in a herbal product},\n\tvolume = {27},\n\tnumber = {2},\n\tjournal = {Forensic Toxicology},\n\tauthor = {Uchiyama, N. and Kikura-Hanajiri, R. and Kawahara, N. and Goda, Y.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {61--66},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Desorption Electrospray/Metastable-Induced Ionization: A Flexible Multimode Ambient Ion Generation Technique.\n \n \n \n\n\n \n Nyadong, L.; Galhena, A. S.; and Fernandez, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 81(18): 7788–7794. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nyadong_desorption_2009,\n\ttitle = {Desorption {Electrospray}/{Metastable}-{Induced} {Ionization}: {A} {Flexible} {Multimode} {Ambient} {Ion} {Generation} {Technique}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tdoi = {10.1021/ac9014098},\n\tabstract = {Presented here is a novel multimode ambient ion source termed desorption electrospray/metastable-induced ionization (DEMI), which integrates the benefits and circumvents some of the limitations of desorption electrospray ionization (DESI, polarity range limited) and direct analysis in real time (DART)-type metastable-induced chemical ionization (MICI, molecular weight limited). This ion source allows three unique operation modes, each with unique capabilities, including spray (DESI-like)-only, MICI-only, and DEMI (multimode), and can be thus operated in each of these modes allowing the detection of a wider range of analytes of interest. Ion source operation in the MICI-only mode is particularly well suited for the analysis of low-polarity, low-molecular weight compounds in powdered, solid, or dissolved samples. Operation of the ion source in spray-only mode shows superior performance for the analysis of high-molecular weight, high-polarity compounds over the MICI-only mode. Heating the nebulizer gas in spray-only mode allows improved analyte solubility in the spray solvent, enabling up to an order of magnitude improvement in sensitivity. Perhaps the most appealing mode of operation of the ion source is the DEMI mode which allows the simultaneous detection of compounds within a much broader range of polarities and molecular weights than each of the individual modes. For drug quality screening and counterfeit detection applications, operation in the DEMI mode results in the generation of both protonated and sodiated analytes. The observation of such complementary ionic species facilitates compound identification when investigating unknowns.},\n\tnumber = {18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nyadong, Leonard and Galhena, Asiri S. and Fernandez, Facundo M.},\n\tyear = {2009},\n\tkeywords = {Thermo LCQ},\n\tpages = {7788--7794},\n}\n\n\n\n
\n
\n\n\n
\n Presented here is a novel multimode ambient ion source termed desorption electrospray/metastable-induced ionization (DEMI), which integrates the benefits and circumvents some of the limitations of desorption electrospray ionization (DESI, polarity range limited) and direct analysis in real time (DART)-type metastable-induced chemical ionization (MICI, molecular weight limited). This ion source allows three unique operation modes, each with unique capabilities, including spray (DESI-like)-only, MICI-only, and DEMI (multimode), and can be thus operated in each of these modes allowing the detection of a wider range of analytes of interest. Ion source operation in the MICI-only mode is particularly well suited for the analysis of low-polarity, low-molecular weight compounds in powdered, solid, or dissolved samples. Operation of the ion source in spray-only mode shows superior performance for the analysis of high-molecular weight, high-polarity compounds over the MICI-only mode. Heating the nebulizer gas in spray-only mode allows improved analyte solubility in the spray solvent, enabling up to an order of magnitude improvement in sensitivity. Perhaps the most appealing mode of operation of the ion source is the DEMI mode which allows the simultaneous detection of compounds within a much broader range of polarities and molecular weights than each of the individual modes. For drug quality screening and counterfeit detection applications, operation in the DEMI mode results in the generation of both protonated and sodiated analytes. The observation of such complementary ionic species facilitates compound identification when investigating unknowns.\n
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\n \n\n \n \n \n \n \n Determination of the Presence or Absence of Sulfur Materials in Drywall Using Direct Analysis in Real Time in Conjunction with an Accurate-Mass Time-of-Flight Mass Spectrometer.\n \n \n \n\n\n \n Curtis, M. E.; Jones, P. R.; Sparkman, O. D.; and Cody, R. B.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(11): 2082–2086. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{curtis_determination_2009,\n\ttitle = {Determination of the {Presence} or {Absence} of {Sulfur} {Materials} in {Drywall} {Using} {Direct} {Analysis} in {Real} {Time} in {Conjunction} with an {Accurate}-{Mass} {Time}-of-{Flight} {Mass} {Spectrometer}},\n\tvolume = {20},\n\tissn = {1044-0305},\n\tabstract = {Based on the concern about the presence of sulfur materials being in drywall (wallboard), a quick and reliable test to confirm the presence or absence of these materials using direct analysis in real time (DART) mass spectrometry in conjunction with an accurate-mass time-of-flight (TOF) mass spectrometer has been developed and is described here.},\n\tnumber = {11},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Curtis, Matthew E. and Jones, Patrick R. and Sparkman, O. David and Cody, Robert B.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {2082--2086},\n}\n\n\n\n
\n
\n\n\n
\n Based on the concern about the presence of sulfur materials being in drywall (wallboard), a quick and reliable test to confirm the presence or absence of these materials using direct analysis in real time (DART) mass spectrometry in conjunction with an accurate-mass time-of-flight (TOF) mass spectrometer has been developed and is described here.\n
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\n \n\n \n \n \n \n \n Detection of Peroxide and Tetrazine Explosives on Surfaces by Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; Durst, H. D.; Connell, T. R.; and Nilles, J. M.\n\n\n \n\n\n\n American Laboratory Online Edition, 2(2): 1–5. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramee_detection_2009,\n\ttitle = {Detection of {Peroxide} and {Tetrazine} {Explosives} on {Surfaces} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {2},\n\tnumber = {2},\n\tjournal = {American Laboratory Online Edition},\n\tauthor = {Laramée, James A. and Durst, H. Dupont and Connell, Theresa R. and Nilles, J. Michael},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1--5},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Rapid Semi-Quantitative Surface Mapping of Airborne-Dispersed Chemicals Using Mass Spectrometry.\n \n \n \n\n\n \n Grange, A.\n\n\n \n\n\n\n Environmental Forensics, 10(3): 183–195. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_rapid_2009,\n\ttitle = {Rapid {Semi}-{Quantitative} {Surface} {Mapping} of {Airborne}-{Dispersed} {Chemicals} {Using} {Mass} {Spectrometry}},\n\tvolume = {10},\n\tabstract = {Chemicals can be dispersed accidentally, deliberately, or by weather-related events. Rapid mapping of contaminant distributions is necessary to assess exposure risks and to plan remediation, when needed. Ten pulverized aspirin or NoDozTM tablets containing caffeine were dispersed across a concrete driveway using the exhaust port of a shop vacuum cleaner. Water-soaked, cotton swabs were used to collect wipe samples from 100 cm2 areas within a 7 x 12 grid pattern to map the caffeine distribution. An autosampler/Direct Analysis in Real Time (DARTTM)/time-of-flight mass spectrometer was used to acquire ion chromatograms for the [M+H]+ semi-quantitation ion (m/z 195). Prior to analysis, unheated, non-energized helium gas was blown across the swabs to remove debris that could plug the cone orifice. Carry over was mitigated by interspersing wipe sample swabs with water-soaked swabs to provide hot water vapor to clean the region around the cone orifice into the mass spectrometer between sample swabs. Carry over was further reduced relative to the ion abundances from analyte peaks by acquiring data a second time. Remaining carry over was seen as ion abundance plateaus in ion chromatograms before and after each analyte peak. The higher plateau was treated as the baseline for each analyte peak by a macro procedure written in Lotus 123TM. A second macro procedure plotted multi-color, semi-quantitation maps for high, moderate, low, and non-detect levels of caffeine.},\n\tnumber = {3},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, A.H.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {183--195},\n}\n\n\n\n
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\n Chemicals can be dispersed accidentally, deliberately, or by weather-related events. Rapid mapping of contaminant distributions is necessary to assess exposure risks and to plan remediation, when needed. Ten pulverized aspirin or NoDozTM tablets containing caffeine were dispersed across a concrete driveway using the exhaust port of a shop vacuum cleaner. Water-soaked, cotton swabs were used to collect wipe samples from 100 cm2 areas within a 7 x 12 grid pattern to map the caffeine distribution. An autosampler/Direct Analysis in Real Time (DARTTM)/time-of-flight mass spectrometer was used to acquire ion chromatograms for the [M+H]+ semi-quantitation ion (m/z 195). Prior to analysis, unheated, non-energized helium gas was blown across the swabs to remove debris that could plug the cone orifice. Carry over was mitigated by interspersing wipe sample swabs with water-soaked swabs to provide hot water vapor to clean the region around the cone orifice into the mass spectrometer between sample swabs. Carry over was further reduced relative to the ion abundances from analyte peaks by acquiring data a second time. Remaining carry over was seen as ion abundance plateaus in ion chromatograms before and after each analyte peak. The higher plateau was treated as the baseline for each analyte peak by a macro procedure written in Lotus 123TM. A second macro procedure plotted multi-color, semi-quantitation maps for high, moderate, low, and non-detect levels of caffeine.\n
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\n \n\n \n \n \n \n \n \"Soft\" or \"hard\" ionisation? Investigation of metastable gas temperature effect on direct analysis in real-time analysis of Voriconazole.\n \n \n \n\n\n \n Lapthorn, C.; and Pullen, F.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 15(5): 587–593. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{lapthorn_soft_2009,\n\ttitle = {"{Soft}" or "hard" ionisation? {Investigation} of metastable gas temperature effect on direct analysis in real-time analysis of {Voriconazole}},\n\tvolume = {15},\n\tissn = {1469-0667},\n\tdoi = {10.1255/ejms.1022},\n\tabstract = {The performance of the direct analysis in real-time (DART) technique was evaluated across a range of metastable gas temperatures for a pharmaceutical compound, Voriconazole, in order to investigate the effect of metastable gas temperature on molecular ion intensity and fragmentation. The DART source has been used to analyse a range of analytes and from a range of matrices including drugs in solid tablet form and preparations, active ingredients in ointment, naturally occurring plant alkaloids, flavours and fragrances, from thin layer chromatography (TLC) plates, melting point tubes and biological matrices including hair, urine and blood. The advantages of this technique include rapid analysis time (as little as 5 s), a reduction in sample preparation requirements, elimination of mobile phase requirement and analysis of samples not typically amenable to atmospheric pressure ionisation (API) techniques. This technology has therefore been proposed as an everyday tool for identification of components in crude organic reaction mixtures.},\n\tnumber = {5},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Lapthorn, Cris and Pullen, Frank},\n\tyear = {2009},\n\tkeywords = {Waters Quad},\n\tpages = {587--593},\n}\n\n\n\n
\n
\n\n\n
\n The performance of the direct analysis in real-time (DART) technique was evaluated across a range of metastable gas temperatures for a pharmaceutical compound, Voriconazole, in order to investigate the effect of metastable gas temperature on molecular ion intensity and fragmentation. The DART source has been used to analyse a range of analytes and from a range of matrices including drugs in solid tablet form and preparations, active ingredients in ointment, naturally occurring plant alkaloids, flavours and fragrances, from thin layer chromatography (TLC) plates, melting point tubes and biological matrices including hair, urine and blood. The advantages of this technique include rapid analysis time (as little as 5 s), a reduction in sample preparation requirements, elimination of mobile phase requirement and analysis of samples not typically amenable to atmospheric pressure ionisation (API) techniques. This technology has therefore been proposed as an everyday tool for identification of components in crude organic reaction mixtures.\n
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\n \n\n \n \n \n \n \n \n Detection of Gamma-Hydroxybutyric Acid in Various Drink Matrices via AccuTOF-DART*.\n \n \n \n \n\n\n \n Bennett, M. J.; and Steiner, R. R.\n\n\n \n\n\n\n Journal of Forensic Sciences, 54(2): 370–375. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{bennett_detection_2009,\n\ttitle = {Detection of {Gamma}-{Hydroxybutyric} {Acid} in {Various} {Drink} {Matrices} via {AccuTOF}-{DART}*},\n\tvolume = {54},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2008.00955.x},\n\tdoi = {10.1111/j.1556-4029.2008.00955.x},\n\tabstract = {Abstract:  A new screening method for detecting gamma-hydroxybutyric acid (GHB) in drink matrices, using the IonSense, Inc. (Saugus, MA) direct analysis in real time (DART) ion source coupled to a JEOL exact mass time-of-flight mass spectrometer (AccuTOF), was validated and compared with the current screening methodology. The DART ion source allows for analysis of samples under ambient conditions with little to no sample preparation. Fifty drink specimens were spiked at levels of 1, 2, 3, and 4 mg/mL GHB, and analyzed on the AccuTOF-DART. Positive detection of GHB occurred for each of the samples at each concentration level, giving 100\\% accuracy for the samples tested. Twenty-five of the 50 drink specimens were spiked at 1 mg/mL GHB and tested using a color test known as the GHB Color Test \\#3. Only two of these 25 specimens tested positive for the presence of GHB, giving only 8\\% accuracy. Implementation of this new methodology as a screening tool for GHB analysis will quickly eliminate negative specimens allowing the examiner to focus analysis time on those that screened positive.},\n\tnumber = {2},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Bennett, Mark J. and Steiner, Robert R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF, Direct analysis in real time, Screening, controlled substances, forensic science, gamma-hydroxybutyrate, gamma-hydroxybutyric acid, mass spectrometry, time of flight},\n\tpages = {370--375},\n}\n\n\n\n
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\n Abstract:  A new screening method for detecting gamma-hydroxybutyric acid (GHB) in drink matrices, using the IonSense, Inc. (Saugus, MA) direct analysis in real time (DART) ion source coupled to a JEOL exact mass time-of-flight mass spectrometer (AccuTOF), was validated and compared with the current screening methodology. The DART ion source allows for analysis of samples under ambient conditions with little to no sample preparation. Fifty drink specimens were spiked at levels of 1, 2, 3, and 4 mg/mL GHB, and analyzed on the AccuTOF-DART. Positive detection of GHB occurred for each of the samples at each concentration level, giving 100% accuracy for the samples tested. Twenty-five of the 50 drink specimens were spiked at 1 mg/mL GHB and tested using a color test known as the GHB Color Test #3. Only two of these 25 specimens tested positive for the presence of GHB, giving only 8% accuracy. Implementation of this new methodology as a screening tool for GHB analysis will quickly eliminate negative specimens allowing the examiner to focus analysis time on those that screened positive.\n
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\n \n\n \n \n \n \n \n Ionization Mechanism of Negative Ion-Direct Analysis in Real Time: A Comparative Study with Negative Ion-Atmospheric Pressure Photoionization.\n \n \n \n\n\n \n Song, L.; Dykstra, A. B.; Yao, H.; and Bartmess, J. E.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(1): 42–50. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{song_ionization_2009,\n\ttitle = {Ionization {Mechanism} of {Negative} {Ion}-{Direct} {Analysis} in {Real} {Time}: {A} {Comparative} {Study} with {Negative} {Ion}-{Atmospheric} {Pressure} {Photoionization}},\n\tvolume = {20},\n\tabstract = {The ionization mechanism of negative ion-direct analysis in real time (NI-DART) has been investigated using over 42 compounds, including fullerenes, perfluorocarbons (PFC), organic explosives, phenols, pentafluorobenzyl (PFB) derivatized phenols, anilines, and carboxylic\nacids, which were previously studied by negative ion-atmospheric pressure photoionization (NI-APPI). NI-DART generated ionization products similar to NI-APPI, which led to four ionization mechanisms, including electron capture (EC), dissociative EC, proton transfer, and\nanion attachment. These four ionization mechanisms make both NI-DART and NI-APPI capable of ionizing a wider range of compounds than negative ion-atmospheric pressure chemical ionization (APCI) or negative ion-electrospray ionization (ESI). As the operation of NI-DART is much easier than that of NI-APPI and the gas-phase ion chemistry of NI-DART is more easily manipulated than that of NI-APPI, NI-DART can be therefore used to study in detail the ionization mechanism of LC/NI-APPI-MS, which would be a powerful methodology for the quantification of low-polarity compounds. Herein, one such application has been further demonstrated in the detection and identification of background ions from LC solvents and APPI dopants, including water, acetonitrile, chloroform, methylene chloride, methanol, 2-propanol, hexanes, heptane, cyclohexane, acetone, tetrahydrofuran (THF), 1,4-dioxane, toluene, and anisole. Possible reaction pathways leading to the formation of these background\nions were further inferred. One of the conclusions from these experiments is that THF and 1,4-dioxane are inappropriate to be used as solvents and/or dopants for LC/NI-APPI-MS due to their high reactivity with source basic ions, leading to many reactant ions in the background.},\n\tnumber = {1},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Song, Liguo and Dykstra, Andrew B. and Yao, Huifang and Bartmess, John E.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {42--50},\n}\n\n\n\n
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\n The ionization mechanism of negative ion-direct analysis in real time (NI-DART) has been investigated using over 42 compounds, including fullerenes, perfluorocarbons (PFC), organic explosives, phenols, pentafluorobenzyl (PFB) derivatized phenols, anilines, and carboxylic acids, which were previously studied by negative ion-atmospheric pressure photoionization (NI-APPI). NI-DART generated ionization products similar to NI-APPI, which led to four ionization mechanisms, including electron capture (EC), dissociative EC, proton transfer, and anion attachment. These four ionization mechanisms make both NI-DART and NI-APPI capable of ionizing a wider range of compounds than negative ion-atmospheric pressure chemical ionization (APCI) or negative ion-electrospray ionization (ESI). As the operation of NI-DART is much easier than that of NI-APPI and the gas-phase ion chemistry of NI-DART is more easily manipulated than that of NI-APPI, NI-DART can be therefore used to study in detail the ionization mechanism of LC/NI-APPI-MS, which would be a powerful methodology for the quantification of low-polarity compounds. Herein, one such application has been further demonstrated in the detection and identification of background ions from LC solvents and APPI dopants, including water, acetonitrile, chloroform, methylene chloride, methanol, 2-propanol, hexanes, heptane, cyclohexane, acetone, tetrahydrofuran (THF), 1,4-dioxane, toluene, and anisole. Possible reaction pathways leading to the formation of these background ions were further inferred. One of the conclusions from these experiments is that THF and 1,4-dioxane are inappropriate to be used as solvents and/or dopants for LC/NI-APPI-MS due to their high reactivity with source basic ions, leading to many reactant ions in the background.\n
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\n \n\n \n \n \n \n \n NADP+-dependent farnesol dehydrogenase, a corpora allata enzyme involved in juvenile hormone synthesis.\n \n \n \n\n\n \n Mayoral, J. G.; Nouzova, M.; Navare, A.; and Noriega, F. G.\n\n\n \n\n\n\n Proceedings of the National Academy of Sciences, 106(50): 21091–21096. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{mayoral_nadp+-dependent_2009,\n\ttitle = {{NADP}+-dependent farnesol dehydrogenase, a corpora allata enzyme involved in juvenile hormone synthesis},\n\tvolume = {106},\n\tdoi = {10.1073/pnas.0909938106},\n\tabstract = {The synthesis of juvenile hormone (JH) is an attractive target for control of insect pests and vectors of disease, but the minute size of the corpora allata (CA), the glands that synthesize JH, has made it difficult to identify important biosynthetic enzymes by classical biochemical approaches. Here, we report identification and characterization of an insect farnesol dehydrogenase (SDR-1) that oxidizes farnesol into farnesal, a precursor of JH, in the CA. SDR-1 was isolated as an EST in a library of the corpora allata-corpora cardiaca of the mosquito . The 245-amino acid protein presents the typical short-chain dehydrogenase (SDR) Rossmann-fold motif for nucleotide binding. This feature, together with other conserved sequence motifs, place SDR-1 into the “classical” NADP-dependent cP2 SDR subfamily. The gene is part of a group of highly conserved paralogs that cluster together in the mosquito genome; similar clusters of orthologs were found in other insect species. SDR-1 acts as a homodimer and efficiently oxidizes C to C isoprenoid and aliphatic alcohols, showing the highest affinity for the conversion of farnesol into farnesal. Farnesol dehydrogenase activity was not detected in the CA of newly emerged mosquitoes but significant activity was detected 24 h later. Real time PCR experiments revealed that SDR-1 mRNA levels were very low in the inactive CA of the newly emerged female, but increased {\\textgreater}30-fold 24 h later during the peak of JH synthesis. These results suggest that oxidation of farnesol might be a rate-limiting step in JH III synthesis in adult mosquitoes.},\n\tnumber = {50},\n\tjournal = {Proceedings of the National Academy of Sciences},\n\tauthor = {Mayoral, Jaime G. and Nouzova, Marcela and Navare, Arti and Noriega, Fernando G.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {21091--21096},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n The synthesis of juvenile hormone (JH) is an attractive target for control of insect pests and vectors of disease, but the minute size of the corpora allata (CA), the glands that synthesize JH, has made it difficult to identify important biosynthetic enzymes by classical biochemical approaches. Here, we report identification and characterization of an insect farnesol dehydrogenase (SDR-1) that oxidizes farnesol into farnesal, a precursor of JH, in the CA. SDR-1 was isolated as an EST in a library of the corpora allata-corpora cardiaca of the mosquito . The 245-amino acid protein presents the typical short-chain dehydrogenase (SDR) Rossmann-fold motif for nucleotide binding. This feature, together with other conserved sequence motifs, place SDR-1 into the “classical” NADP-dependent cP2 SDR subfamily. The gene is part of a group of highly conserved paralogs that cluster together in the mosquito genome; similar clusters of orthologs were found in other insect species. SDR-1 acts as a homodimer and efficiently oxidizes C to C isoprenoid and aliphatic alcohols, showing the highest affinity for the conversion of farnesol into farnesal. Farnesol dehydrogenase activity was not detected in the CA of newly emerged mosquitoes but significant activity was detected 24 h later. Real time PCR experiments revealed that SDR-1 mRNA levels were very low in the inactive CA of the newly emerged female, but increased \\textgreater30-fold 24 h later during the peak of JH synthesis. These results suggest that oxidation of farnesol might be a rate-limiting step in JH III synthesis in adult mosquitoes.\n
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\n \n\n \n \n \n \n \n The Observation of Molecular Ions and Analysis of Nonpolar Compounds with the Direct Analysis in Real Time Ion Source.\n \n \n \n\n\n \n Cody, R. B.\n\n\n \n\n\n\n Analytical Chemistry, 81(3): 1101–1107. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cody_observation_2009,\n\ttitle = {The {Observation} of {Molecular} {Ions} and {Analysis} of {Nonpolar} {Compounds} with the {Direct} {Analysis} in {Real} {Time} {Ion} {Source}},\n\tvolume = {81},\n\tdoi = {10.1021/ac8022108},\n\tabstract = {Positive ions in the direct analysis in real time (DART) ion source are commonly formed by proton transfer. However, the DART source is similar to atmospheric pressure photoionization (APPI) in that it can produce molecular ions as well as protonated molecules, although the two sources differ in the initial ion formation process. This report discusses some of the factors that influence molecular ion formation in DART and shows how the DART source can be used to analyze “difficult” or nonpolar compounds such as alkanes and cholesterol. Trace reagent ions including NO+ and O2+· formed from atmospheric gases are shown to play important roles in DART ionization. The use of the DART source as a gas chromatography/mass spectrometry (GC/MS) interface is demonstrated to show the difference between mass spectra obtained using conditions that favor proton transfer and those that favor molecular ion formation.},\n\tnumber = {3},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Cody, R. B.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1101--1107},\n}\n\n\n\n
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\n Positive ions in the direct analysis in real time (DART) ion source are commonly formed by proton transfer. However, the DART source is similar to atmospheric pressure photoionization (APPI) in that it can produce molecular ions as well as protonated molecules, although the two sources differ in the initial ion formation process. This report discusses some of the factors that influence molecular ion formation in DART and shows how the DART source can be used to analyze “difficult” or nonpolar compounds such as alkanes and cholesterol. Trace reagent ions including NO+ and O2+· formed from atmospheric gases are shown to play important roles in DART ionization. The use of the DART source as a gas chromatography/mass spectrometry (GC/MS) interface is demonstrated to show the difference between mass spectra obtained using conditions that favor proton transfer and those that favor molecular ion formation.\n
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\n \n\n \n \n \n \n \n Combining Two-Dimensional Diffusion-Ordered Nuclear Magnetic Resonance Spectroscopy, Imaging Desorption Electrospray Ionization Mass Spectrometry, and Direct Analysis in Real-Time Mass Spectrometry for the Integral Investigation of Counterfeit Pharmaceuticals.\n \n \n \n\n\n \n Nyadong, L.; Harris, G. A.; Balayssac, S.; Galhena, A. S.; Malet-Martino, M.; Martino, R.; Parry, R. M.; Wang, M. D.; Fernández, F. M.; and Gilard, V.\n\n\n \n\n\n\n Analytical Chemistry, 81(12): 4803–4812. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nyadong_combining_2009,\n\ttitle = {Combining {Two}-{Dimensional} {Diffusion}-{Ordered} {Nuclear} {Magnetic} {Resonance} {Spectroscopy}, {Imaging} {Desorption} {Electrospray} {Ionization} {Mass} {Spectrometry}, and {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry} for the {Integral} {Investigation} of {Counterfeit} {Pharmaceuticals}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tabstract = {During the past decade, there has been a marked increase in the number of reported cases involving counterfeit medicines in developing and developed countries. Particularly, artesunate-based antimalarial drugs have been targeted, because of their high demand and cost. Counterfeit antimalarials can cause death and can contribute to the growing problem of drug resistance, particularly in southeast Asia. In this study, the complementarity of two-dimensional diffusion-ordered 1H nuclear magnetic resonance spectroscopy (2D DOSY 1H NMR) with direct analysis in real-time mass spectrometry (DART MS) and desorption electrospray ionization mass spectrometry (DESI MS) was assessed for pharmaceutical forensic purposes. Fourteen different artesunate tablets, representative of what can be purchased from informal sources in southeast Asia, were investigated with these techniques. The expected active pharmaceutical ingredient was detected in only five formulations via both nuclear magnetic resonance (NMR) and mass spectrometry (MS) methods. Common organic excipients such as sucrose, lactose, stearate, dextrin, and starch were also detected. The graphical representation of DOSY 1H NMR results proved very useful for establishing similarities among groups of samples, enabling counterfeit drug “chemotyping”. In addition to bulk- and surface-average analyses, spatially resolved information on the surface composition of counterfeit and genuine antimalarial formulations was obtained using DESI MS that was performed in the imaging mode, which enabled one to visualize the homogeneity of both genuine and counterfeit drug samples. Overall, this study suggests that 2D DOSY 1H NMR, combined with ambient MS, comprises a powerful suite of instrumental analysis methodologies for the integral characterization of counterfeit antimalarials.},\n\tnumber = {12},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nyadong, Leonard and Harris, Glenn A. and Balayssac, Stephane and Galhena, Asiri S. and Malet-Martino, Myriam and Martino, Robert and Parry, R. Mitchell and Wang, May Dongmei and Fernández, Facundo M. and Gilard, Veronique},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {4803--4812},\n}\n\n\n\n
\n
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\n During the past decade, there has been a marked increase in the number of reported cases involving counterfeit medicines in developing and developed countries. Particularly, artesunate-based antimalarial drugs have been targeted, because of their high demand and cost. Counterfeit antimalarials can cause death and can contribute to the growing problem of drug resistance, particularly in southeast Asia. In this study, the complementarity of two-dimensional diffusion-ordered 1H nuclear magnetic resonance spectroscopy (2D DOSY 1H NMR) with direct analysis in real-time mass spectrometry (DART MS) and desorption electrospray ionization mass spectrometry (DESI MS) was assessed for pharmaceutical forensic purposes. Fourteen different artesunate tablets, representative of what can be purchased from informal sources in southeast Asia, were investigated with these techniques. The expected active pharmaceutical ingredient was detected in only five formulations via both nuclear magnetic resonance (NMR) and mass spectrometry (MS) methods. Common organic excipients such as sucrose, lactose, stearate, dextrin, and starch were also detected. The graphical representation of DOSY 1H NMR results proved very useful for establishing similarities among groups of samples, enabling counterfeit drug “chemotyping”. In addition to bulk- and surface-average analyses, spatially resolved information on the surface composition of counterfeit and genuine antimalarial formulations was obtained using DESI MS that was performed in the imaging mode, which enabled one to visualize the homogeneity of both genuine and counterfeit drug samples. Overall, this study suggests that 2D DOSY 1H NMR, combined with ambient MS, comprises a powerful suite of instrumental analysis methodologies for the integral characterization of counterfeit antimalarials.\n
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\n \n\n \n \n \n \n \n Ambient mass spectrometry employing direct analysis in real time (DART) ion source for olive oil quality and authenticity assessment.\n \n \n \n\n\n \n Vaclavik, L.; Cajka, T.; Hrbek, V.; and Hajslova, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 645(1-2): 56–63. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{vaclavik_ambient_2009,\n\ttitle = {Ambient mass spectrometry employing direct analysis in real time ({DART}) ion source for olive oil quality and authenticity assessment},\n\tvolume = {645},\n\tdoi = {10.1016/j.aca.2009.04.043},\n\tabstract = {A novel approach for the authentication of olive oil samples representing different quality grades has been developed. A new type of ion source, direct analysis in real time (DART), coupled to a high-resolution time-of-flight mass spectrometer (TOFMS) was employed for the comprehensive profiling of triacylglycerols (TAGs) and/or polar compounds extracted with a methanol–water mixture. The main parameters influencing the ionization efficiency of TAGs were the type of sample solvent, degree of sample dilution, ion beam temperature, and presence of a dopant (ammonia vapors). The ionization yield of polar compounds depended mainly on a content of water in the extract and ion beam temperature. Using DART–TOFMS, not only differentiation among extra virgin olive oil (EVOO), olive pomace oil (OPO) and olive oil (OO) could be easily achieved, but also EVOO adulteration with commonly used adulterant, hazelnut oil (HO), was feasible. Based on the linear discriminant analysis (LDA), the introduced method allowed detection of HO addition of 6 and 15\\% (v/v) when assessing DART–TOFMS mass profiles of polar compounds and TAGs, respectively.},\n\tnumber = {1-2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Vaclavik, Lukas and Cajka, Tomas and Hrbek, Vojtech and Hajslova, J.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {56--63},\n}\n\n\n\n
\n
\n\n\n
\n A novel approach for the authentication of olive oil samples representing different quality grades has been developed. A new type of ion source, direct analysis in real time (DART), coupled to a high-resolution time-of-flight mass spectrometer (TOFMS) was employed for the comprehensive profiling of triacylglycerols (TAGs) and/or polar compounds extracted with a methanol–water mixture. The main parameters influencing the ionization efficiency of TAGs were the type of sample solvent, degree of sample dilution, ion beam temperature, and presence of a dopant (ammonia vapors). The ionization yield of polar compounds depended mainly on a content of water in the extract and ion beam temperature. Using DART–TOFMS, not only differentiation among extra virgin olive oil (EVOO), olive pomace oil (OPO) and olive oil (OO) could be easily achieved, but also EVOO adulteration with commonly used adulterant, hazelnut oil (HO), was feasible. Based on the linear discriminant analysis (LDA), the introduced method allowed detection of HO addition of 6 and 15% (v/v) when assessing DART–TOFMS mass profiles of polar compounds and TAGs, respectively.\n
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\n \n\n \n \n \n \n \n Eucalypt smoke and wildfires: Temperature dependent emissions of biogenic volatile organic compounds.\n \n \n \n\n\n \n Maleknia, S.; Bell, T.; and Adam, M.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 279(2-3): 126–133. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{maleknia_eucalypt_2009,\n\ttitle = {Eucalypt smoke and wildfires: {Temperature} dependent emissions of biogenic volatile organic compounds},\n\tvolume = {279},\n\tabstract = {Eucalypt contributions to biogenic sources of volatile organic compounds (VOCs) in Australia are estimated at teragram (Tg = 1012 g) amounts each year. Biogenic VOCs include plant-specific isoprenoids (isoprene and a range of terpenes) and other reactive organic compounds (i.e., acids, aldehydes and ketones). Atmospheric reactions of VOCs are numerous and many have significant environmental impact. Wildfires\nincrease both the amounts of VOCs released and the complexity of their reactions. Proton-transfer reaction mass spectrometry (PTR-MS), gas chromatography mass spectrometry (GCMS) and direct analysis in real time (DART) mass spectrometry were applied to analyze release of VOCs as a function of temperatures ranging from ambient to combustion. PTR-MS enabled trace level analysis of VOCs from a complex\nforest atmosphere and revealed the release of terpenes associated with leaf damage during a storm. Temperature profile studies revealed ion abundances (i.e., emissions of VOCs) could be correlated with boiling points and vapor pressures of specific compounds. PTR-MS analysis of VOCs resulting from heating fresh leaf (E. grandis) material suggested that emissions of protonated methanol (m/z 33) and protonated\nacetaldehyde (m/z 45) were greatest at {\\textasciitilde}60 ◦C while m/z 137 and 153 (associated with a series of terpenes) showed monotonic increases in ion abundance over a wide temperature range from ambient to 200 ◦C. GCMS analysis of fresh and senescent leaves of E. grandis showed that a series of VOCs (ethylvinylketone, diethylketone, 2-ethylfuran, hexanal and hexenals) are present only in fresh leaves while several terpenes ( and  pinenes, -phellandrene, eucalyptol, -terpinene) were common in both. DART analysis of fresh leaf and stem of E. sideroxylon identified tissue-specific VOCs (e.g., methanol and ethanol were more abundant in stems). PTR-MS combustion studies of senescent leaves (E. grandis) identified two distinct, temperature-dependent VOC compositions. Before the appearance of smoke, the composition of VOCs remained consistent and correlated well with various naturally occurring isoprenoids, as observed in temperature profile studies. Sampling of eucalypt smoke suggested ions (m/z 75, 85, 87, 99, 111 and 125) correlated with protonated mass of oxygenated aldehydes, ketones, furans and substituted benzenes, and were due to pyrolysis of polycarbohydrates (cellulose and lignin) that are common in many types of wood.},\n\tnumber = {2-3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Maleknia, S.D. and Bell, T.L. and Adam, M.A.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {126--133},\n}\n\n\n\n
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\n Eucalypt contributions to biogenic sources of volatile organic compounds (VOCs) in Australia are estimated at teragram (Tg = 1012 g) amounts each year. Biogenic VOCs include plant-specific isoprenoids (isoprene and a range of terpenes) and other reactive organic compounds (i.e., acids, aldehydes and ketones). Atmospheric reactions of VOCs are numerous and many have significant environmental impact. Wildfires increase both the amounts of VOCs released and the complexity of their reactions. Proton-transfer reaction mass spectrometry (PTR-MS), gas chromatography mass spectrometry (GCMS) and direct analysis in real time (DART) mass spectrometry were applied to analyze release of VOCs as a function of temperatures ranging from ambient to combustion. PTR-MS enabled trace level analysis of VOCs from a complex forest atmosphere and revealed the release of terpenes associated with leaf damage during a storm. Temperature profile studies revealed ion abundances (i.e., emissions of VOCs) could be correlated with boiling points and vapor pressures of specific compounds. PTR-MS analysis of VOCs resulting from heating fresh leaf (E. grandis) material suggested that emissions of protonated methanol (m/z 33) and protonated acetaldehyde (m/z 45) were greatest at ~60 ◦C while m/z 137 and 153 (associated with a series of terpenes) showed monotonic increases in ion abundance over a wide temperature range from ambient to 200 ◦C. GCMS analysis of fresh and senescent leaves of E. grandis showed that a series of VOCs (ethylvinylketone, diethylketone, 2-ethylfuran, hexanal and hexenals) are present only in fresh leaves while several terpenes ( and pinenes, -phellandrene, eucalyptol, -terpinene) were common in both. DART analysis of fresh leaf and stem of E. sideroxylon identified tissue-specific VOCs (e.g., methanol and ethanol were more abundant in stems). PTR-MS combustion studies of senescent leaves (E. grandis) identified two distinct, temperature-dependent VOC compositions. Before the appearance of smoke, the composition of VOCs remained consistent and correlated well with various naturally occurring isoprenoids, as observed in temperature profile studies. Sampling of eucalypt smoke suggested ions (m/z 75, 85, 87, 99, 111 and 125) correlated with protonated mass of oxygenated aldehydes, ketones, furans and substituted benzenes, and were due to pyrolysis of polycarbohydrates (cellulose and lignin) that are common in many types of wood.\n
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\n \n\n \n \n \n \n \n \n Quantitation of Chemical Warfare Agents Using the Direct Analysis in Real Time (DART) Technique.\n \n \n \n \n\n\n \n Nilles, J. M.; Connell, T. R.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 81(16): 6744–6749. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{nilles_quantitation_2009,\n\ttitle = {Quantitation of {Chemical} {Warfare} {Agents} {Using} the {Direct} {Analysis} in {Real} {Time} ({DART}) {Technique}},\n\tvolume = {81},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac900682f},\n\tdoi = {10.1021/ac900682f},\n\tabstract = {Direct analysis in real time (DART) is an ion source that permits rapid mass spectrometric detection of gases, liquids, and solids in open air under ambient conditions. It is a unique technology in the field of chemical weapons detectors in that it does not require a vapor pressure, does not require sample preparation, and is nondestructive to the original sample. While the DART technique has had success as a first line instrument of detection, there have been lingering doubts over the technique’s quantitative reliability and reproducibility. Here, we demonstrate its capability to produce linear calibration curves (R2 = 0.99 or better) for the nerve agents GA, GB, and VX as well as the blister agent HD. Independently prepared check standards measured against these curves typically have recovery errors less than 3\\%. We show the DART instrument response to be linear over roughly 3 orders of magnitude. Furthermore, this study shows that averaging as few as three measurements for each data point is sufficient to produce high quality calibration curves, thus reducing data collection time and providing quicker results.},\n\tnumber = {16},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nilles, J. Michael and Connell, Theresa R. and Durst, H. Dupont},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {6744--6749},\n}\n\n\n\n
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\n Direct analysis in real time (DART) is an ion source that permits rapid mass spectrometric detection of gases, liquids, and solids in open air under ambient conditions. It is a unique technology in the field of chemical weapons detectors in that it does not require a vapor pressure, does not require sample preparation, and is nondestructive to the original sample. While the DART technique has had success as a first line instrument of detection, there have been lingering doubts over the technique’s quantitative reliability and reproducibility. Here, we demonstrate its capability to produce linear calibration curves (R2 = 0.99 or better) for the nerve agents GA, GB, and VX as well as the blister agent HD. Independently prepared check standards measured against these curves typically have recovery errors less than 3%. We show the DART instrument response to be linear over roughly 3 orders of magnitude. Furthermore, this study shows that averaging as few as three measurements for each data point is sufficient to produce high quality calibration curves, thus reducing data collection time and providing quicker results.\n
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\n \n\n \n \n \n \n \n Direct analysis of curcumin in turmeric by DART-MS.\n \n \n \n\n\n \n Kim, H. J.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,published online. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kim_direct_2009,\n\ttitle = {Direct analysis of curcumin in turmeric by {DART}-{MS}},\n\tissn = {1099-1565},\n\tabstract = {Introduction\nThe new ion source technique, direct analysis in real time (DART) atmospheric pressure ionisation, allows high resolution mass measurements of gas, liquid and solid samples. As DART-MS produces [M + H]+ molecular ions of most compounds, relatively simple and clear mass spectra are obtained even of multi-component samples. In order to take advantage of the capacity of DART-MS for the real time analysis of individual compounds in natural raw materials, a pilot study was performed using the well-known antioxidant botanical drug, turmeric.\n\nObjective\nTo establish the analysis methods of curcumin and its derivatives from various types of samples with DART-MS and compare the efficiency of the method with traditional HPLC method.\n\nResults\nDifferent curcuminoids were successfully detected directly from the raw particles of Curcuma longa. When a turmeric extract was separated on a TLC plate, each band produced molecular ion peaks corresponding to curcumin, demethoxycurcumin and bisdemethoxycurcumin. Molecular ions of curcuminoids in turmeric-containing beverages and curry powder were also efficiently detected. In addition to high efficiency of qualitative analysis, the evaluation of its linearity showed that DART-MS can be applied for semi-quantitative determinations of curcumin over a large range (5-100 µg/mL).\n\nConclusion\nA simple chemical profiling and semi-quantitative method for natural products using DART-MS might be applied to diverse field related quality control of medicinal plants or food ingredients.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Jang, Young Pyo},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {published online},\n}\n\n\n\n
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\n Introduction The new ion source technique, direct analysis in real time (DART) atmospheric pressure ionisation, allows high resolution mass measurements of gas, liquid and solid samples. As DART-MS produces [M + H]+ molecular ions of most compounds, relatively simple and clear mass spectra are obtained even of multi-component samples. In order to take advantage of the capacity of DART-MS for the real time analysis of individual compounds in natural raw materials, a pilot study was performed using the well-known antioxidant botanical drug, turmeric. Objective To establish the analysis methods of curcumin and its derivatives from various types of samples with DART-MS and compare the efficiency of the method with traditional HPLC method. Results Different curcuminoids were successfully detected directly from the raw particles of Curcuma longa. When a turmeric extract was separated on a TLC plate, each band produced molecular ion peaks corresponding to curcumin, demethoxycurcumin and bisdemethoxycurcumin. Molecular ions of curcuminoids in turmeric-containing beverages and curry powder were also efficiently detected. In addition to high efficiency of qualitative analysis, the evaluation of its linearity showed that DART-MS can be applied for semi-quantitative determinations of curcumin over a large range (5-100 µg/mL). Conclusion A simple chemical profiling and semi-quantitative method for natural products using DART-MS might be applied to diverse field related quality control of medicinal plants or food ingredients.\n
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\n \n\n \n \n \n \n \n Ambient Mass Spectrometric Detection of Organometallic Compounds Using Direct Analysis in Real Time.\n \n \n \n\n\n \n Borges, D.; Sturgeon, R.; Welz, B.; Curtius, A.; and Mester, Z.\n\n\n \n\n\n\n Analytical Chemistry, 81(23): 9834–9839. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{borges_ambient_2009,\n\ttitle = {Ambient {Mass} {Spectrometric} {Detection} of {Organometallic} {Compounds} {Using} {Direct} {Analysis} in {Real} {Time}},\n\tvolume = {81},\n\tdoi = {10.1021/ac901778n},\n\tabstract = {The present work describes the mass spectrometric detection of organometallic compounds following their atmospheric pressure ionization using a commercial direct analysis in real time (DART) ion source. Several organometallic compounds of As, Fe, Hg, Pb, Se, and Sn were examined, and their corresponding mass spectra as well as induced fragmentation patterns were recorded. Gas phase sampling of the pure organometallic compounds or their solutions prepared in toluene generated temporally stable signals. For the majority of the compounds, the molecular ion or protonated molecule was detected; noticeable exceptions are the tetra-substituted compounds for which their less-substituted species dominated. The organometallic species were used as model compounds for a systematic investigation of the impact of operating parameters of the DART source, including gas temperature and electrode voltages. In general, results have shown that powering the electrodes designed to remove ions from the DART gas stream results in a reduction in signal intensity for most of the compounds investigated, suggesting that charged species from the plasma play an important role in the ionization process of the test analytes.},\n\tnumber = {23},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Borges, D.L.G. and Sturgeon, R.E. and Welz, B. and Curtius, A.J. and Mester, Z.},\n\tyear = {2009},\n\tkeywords = {Thermo LTQ},\n\tpages = {9834--9839},\n}\n\n\n\n
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\n The present work describes the mass spectrometric detection of organometallic compounds following their atmospheric pressure ionization using a commercial direct analysis in real time (DART) ion source. Several organometallic compounds of As, Fe, Hg, Pb, Se, and Sn were examined, and their corresponding mass spectra as well as induced fragmentation patterns were recorded. Gas phase sampling of the pure organometallic compounds or their solutions prepared in toluene generated temporally stable signals. For the majority of the compounds, the molecular ion or protonated molecule was detected; noticeable exceptions are the tetra-substituted compounds for which their less-substituted species dominated. The organometallic species were used as model compounds for a systematic investigation of the impact of operating parameters of the DART source, including gas temperature and electrode voltages. In general, results have shown that powering the electrodes designed to remove ions from the DART gas stream results in a reduction in signal intensity for most of the compounds investigated, suggesting that charged species from the plasma play an important role in the ionization process of the test analytes.\n
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\n \n\n \n \n \n \n \n Eucalypt smoke and wildfires: Temperature dependent emissions of biogenic volatile organic compounds.\n \n \n \n\n\n \n Maleknia, S.; Bell, T.; and Adam, M.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 279(2-3): 126–133. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{maleknia_eucalypt_2009,\n\ttitle = {Eucalypt smoke and wildfires: {Temperature} dependent emissions of biogenic volatile organic compounds},\n\tvolume = {279},\n\tabstract = {Eucalypt contributions to biogenic sources of volatile organic compounds (VOCs) in Australia are estimated at teragram (Tg = 1012 g) amounts each year. Biogenic VOCs include plant-specific isoprenoids (isoprene and a range of terpenes) and other reactive organic compounds (i.e., acids, aldehydes and ketones). Atmospheric reactions of VOCs are numerous and many have significant environmental impact. Wildfires\nincrease both the amounts of VOCs released and the complexity of their reactions. Proton-transfer reaction mass spectrometry (PTR-MS), gas chromatography mass spectrometry (GCMS) and direct analysis in real time (DART) mass spectrometry were applied to analyze release of VOCs as a function of temperatures ranging from ambient to combustion. PTR-MS enabled trace level analysis of VOCs from a complex\nforest atmosphere and revealed the release of terpenes associated with leaf damage during a storm. Temperature profile studies revealed ion abundances (i.e., emissions of VOCs) could be correlated with boiling points and vapor pressures of specific compounds. PTR-MS analysis of VOCs resulting from heating fresh leaf (E. grandis) material suggested that emissions of protonated methanol (m/z 33) and protonated\nacetaldehyde (m/z 45) were greatest at {\\textasciitilde}60 ◦C while m/z 137 and 153 (associated with a series of terpenes) showed monotonic increases in ion abundance over a wide temperature range from ambient to 200 ◦C. GCMS analysis of fresh and senescent leaves of E. grandis showed that a series of VOCs (ethylvinylketone, diethylketone, 2-ethylfuran, hexanal and hexenals) are present only in fresh leaves while several terpenes (and pinenes, -phellandrene, eucalyptol, -terpinene) were common in both. DART analysis of fresh leaf and stem of E. sideroxylon identified tissue-specific VOCs (e.g., methanol and ethanol were more abundant in stems). PTR-MS combustion studies of senescent leaves (E. grandis) identified two distinct, temperature-dependent VOC compositions. Before the appearance of smoke, the composition of VOCs remained consistent and correlated well with various naturally occurring isoprenoids, as observed in temperature profile studies. Sampling of eucalypt smoke suggested ions (m/z 75, 85, 87, 99, 111 and 125) correlated with protonated mass of oxygenated aldehydes, ketones, furans and substituted benzenes, and were due to pyrolysis of polycarbohydrates (cellulose and lignin) that are common in many types of wood.},\n\tnumber = {2-3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Maleknia, S.D. and Bell, T.L. and Adam, M.A.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {126--133},\n}\n\n\n\n
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\n Eucalypt contributions to biogenic sources of volatile organic compounds (VOCs) in Australia are estimated at teragram (Tg = 1012 g) amounts each year. Biogenic VOCs include plant-specific isoprenoids (isoprene and a range of terpenes) and other reactive organic compounds (i.e., acids, aldehydes and ketones). Atmospheric reactions of VOCs are numerous and many have significant environmental impact. Wildfires increase both the amounts of VOCs released and the complexity of their reactions. Proton-transfer reaction mass spectrometry (PTR-MS), gas chromatography mass spectrometry (GCMS) and direct analysis in real time (DART) mass spectrometry were applied to analyze release of VOCs as a function of temperatures ranging from ambient to combustion. PTR-MS enabled trace level analysis of VOCs from a complex forest atmosphere and revealed the release of terpenes associated with leaf damage during a storm. Temperature profile studies revealed ion abundances (i.e., emissions of VOCs) could be correlated with boiling points and vapor pressures of specific compounds. PTR-MS analysis of VOCs resulting from heating fresh leaf (E. grandis) material suggested that emissions of protonated methanol (m/z 33) and protonated acetaldehyde (m/z 45) were greatest at ~60 ◦C while m/z 137 and 153 (associated with a series of terpenes) showed monotonic increases in ion abundance over a wide temperature range from ambient to 200 ◦C. GCMS analysis of fresh and senescent leaves of E. grandis showed that a series of VOCs (ethylvinylketone, diethylketone, 2-ethylfuran, hexanal and hexenals) are present only in fresh leaves while several terpenes (and pinenes, -phellandrene, eucalyptol, -terpinene) were common in both. DART analysis of fresh leaf and stem of E. sideroxylon identified tissue-specific VOCs (e.g., methanol and ethanol were more abundant in stems). PTR-MS combustion studies of senescent leaves (E. grandis) identified two distinct, temperature-dependent VOC compositions. Before the appearance of smoke, the composition of VOCs remained consistent and correlated well with various naturally occurring isoprenoids, as observed in temperature profile studies. Sampling of eucalypt smoke suggested ions (m/z 75, 85, 87, 99, 111 and 125) correlated with protonated mass of oxygenated aldehydes, ketones, furans and substituted benzenes, and were due to pyrolysis of polycarbohydrates (cellulose and lignin) that are common in many types of wood.\n
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\n \n\n \n \n \n \n \n \n Direct analysis of curcumin in turmeric by DART-MS.\n \n \n \n \n\n\n \n Kim, H. J.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis, 20(5): 372–377. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{kim_direct_2009,\n\ttitle = {Direct analysis of curcumin in turmeric by {DART}-{MS}},\n\tvolume = {20},\n\tissn = {1099-1565},\n\turl = {http://dx.doi.org/10.1002/pca.1136},\n\tdoi = {10.1002/pca.1136},\n\tabstract = {Introduction\nThe new ion source technique, direct analysis in real time (DART) atmospheric pressure ionisation, allows high resolution mass measurements of gas, liquid and solid samples. As DART-MS produces [M + H]+ molecular ions of most compounds, relatively simple and clear mass spectra are obtained even of multi-component samples. In order to take advantage of the capacity of DART-MS for the real time analysis of individual compounds in natural raw materials, a pilot study was performed using the well-known antioxidant botanical drug, turmeric.\nObjective\nTo establish the analysis methods of curcumin and its derivatives from various types of samples with DART-MS and compare the efficiency of the method with traditional HPLC method.\nResults\nDifferent curcuminoids were successfully detected directly from the raw particles of Curcuma longa. When a turmeric extract was separated on a TLC plate, each band produced molecular ion peaks corresponding to curcumin, demethoxycurcumin and bisdemethoxycurcumin. Molecular ions of curcuminoids in turmeric-containing beverages and curry powder were also efficiently detected. In addition to high efficiency of qualitative analysis, the evaluation of its linearity showed that DART-MS can be applied for semi-quantitative determinations of curcumin over a large range (5–100 µg/mL).\nConclusion\nA simple chemical profiling and semi-quantitative method for natural products using DART-MS might be applied to diverse field related quality control of medicinal plants or food ingredients. Copyright © 2009 John Wiley \\& Sons, Ltd.},\n\tnumber = {5},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Jang, Young Pyo},\n\tyear = {2009},\n\tkeywords = {AccuTOF, Curcuma longa, Direct analysis in real time mass spectrometer, curcumin, turmeric},\n\tpages = {372--377},\n}\n\n\n\n\n\n\n\n
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\n Introduction The new ion source technique, direct analysis in real time (DART) atmospheric pressure ionisation, allows high resolution mass measurements of gas, liquid and solid samples. As DART-MS produces [M + H]+ molecular ions of most compounds, relatively simple and clear mass spectra are obtained even of multi-component samples. In order to take advantage of the capacity of DART-MS for the real time analysis of individual compounds in natural raw materials, a pilot study was performed using the well-known antioxidant botanical drug, turmeric. Objective To establish the analysis methods of curcumin and its derivatives from various types of samples with DART-MS and compare the efficiency of the method with traditional HPLC method. Results Different curcuminoids were successfully detected directly from the raw particles of Curcuma longa. When a turmeric extract was separated on a TLC plate, each band produced molecular ion peaks corresponding to curcumin, demethoxycurcumin and bisdemethoxycurcumin. Molecular ions of curcuminoids in turmeric-containing beverages and curry powder were also efficiently detected. In addition to high efficiency of qualitative analysis, the evaluation of its linearity showed that DART-MS can be applied for semi-quantitative determinations of curcumin over a large range (5–100 µg/mL). Conclusion A simple chemical profiling and semi-quantitative method for natural products using DART-MS might be applied to diverse field related quality control of medicinal plants or food ingredients. Copyright © 2009 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Rapid and nondestructive analysis of phthalic acid esters in toys made of poly(vinyl chloride) by direct analysis in real time single-quadrupole mass spectrometry.\n \n \n \n \n\n\n \n Rothenbacher, T.; and Schwack, W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 23(17): 2829–2835. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{rothenbacher_rapid_2009,\n\ttitle = {Rapid and nondestructive analysis of phthalic acid esters in toys made of poly(vinyl chloride) by direct analysis in real time single-quadrupole mass spectrometry},\n\tvolume = {23},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.4194},\n\tdoi = {10.1002/rcm.4194},\n\tabstract = {In the European Community, selected phthalic acid esters (PAE) are restricted in their use for the manufacture of toys and childcare articles to a content of 0.1\\% by weight. As PAE are mainly used as plasticisers for poly(vinyl chloride) (PVC), a rapid screening method for PVC samples with direct analysis in real time ionisation and single-quadrupole mass spectrometry (DART-MS) was developed. Using the ions for the protonated molecules, a limit of detection (LOD) of 0.05\\% was obtained for benzyl butyl phthalate, bis(2-ethylhexyl) phthalate and diisononyl phthalate, while for dibutyl phthalate, di-n-octyl phthalate and diisodecyl phthalate the LOD was 0.1\\%. Validation of identification by the presence of ammonium adducts and characteristic fragment ions was possible to a content of ≥1\\% for all PAE, except for benzyl butyl phthalate (≥5\\%). Based on the fragment ions, bis(2-ethylhexyl) phthalate could clearly be distinguished from di-n-octyl phthalate, if the concentrations were ≥5\\% and ≥1\\% at measured DART helium temperatures of 130 and 310°C, respectively. The complete analysis of one sample only took about 8 min. At the generally used gas temperature of 130°C, most toy and childcare samples did not sustain damage if their shape fitted into the DART source. Copyright © 2009 John Wiley \\& Sons, Ltd.},\n\tnumber = {17},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rothenbacher, Thorsten and Schwack, Wolfgang},\n\tyear = {2009},\n\tkeywords = {Agilent Quad},\n\tpages = {2829--2835},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n In the European Community, selected phthalic acid esters (PAE) are restricted in their use for the manufacture of toys and childcare articles to a content of 0.1% by weight. As PAE are mainly used as plasticisers for poly(vinyl chloride) (PVC), a rapid screening method for PVC samples with direct analysis in real time ionisation and single-quadrupole mass spectrometry (DART-MS) was developed. Using the ions for the protonated molecules, a limit of detection (LOD) of 0.05% was obtained for benzyl butyl phthalate, bis(2-ethylhexyl) phthalate and diisononyl phthalate, while for dibutyl phthalate, di-n-octyl phthalate and diisodecyl phthalate the LOD was 0.1%. Validation of identification by the presence of ammonium adducts and characteristic fragment ions was possible to a content of ≥1% for all PAE, except for benzyl butyl phthalate (≥5%). Based on the fragment ions, bis(2-ethylhexyl) phthalate could clearly be distinguished from di-n-octyl phthalate, if the concentrations were ≥5% and ≥1% at measured DART helium temperatures of 130 and 310°C, respectively. The complete analysis of one sample only took about 8 min. At the generally used gas temperature of 130°C, most toy and childcare samples did not sustain damage if their shape fitted into the DART source. Copyright © 2009 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n Screening of Cocaine and Its Metabolites in Human Urine Samples by Direct Analysis in Real-Time Source Coupled to Time-of-Flight Mass Spectrometry After Online Preconcentration Utilizing Microextraction by Packed Sorbent.\n \n \n \n \n\n\n \n Jagerdeo, E.; and Abdel-Rehim, M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(5): 891–899. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"ScreeningPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{jagerdeo_screening_2009,\n\ttitle = {Screening of {Cocaine} and {Its} {Metabolites} in {Human} {Urine} {Samples} by {Direct} {Analysis} in {Real}-{Time} {Source} {Coupled} to {Time}-of-{Flight} {Mass} {Spectrometry} {After} {Online} {Preconcentration} {Utilizing} {Microextraction} by {Packed} {Sorbent}},\n\tvolume = {20},\n\turl = {internal-pdf://JASMS_2009_20_891-899-1538367775/JASMS_2009_20_891-899.pdf},\n\tdoi = {10.1016/j.jasms.2009.01.010},\n\tabstract = {Microextraction by packed sorbent (MEPS) has been evaluated for fast screening of drugs of abuse with mass spectrometric detection. In this study, C8 (octyl-silica, useful for nonpolar to moderately polar compounds), ENV+ (hydroxylated polystyrene-divinylbenzene copolymer, for extraction of aliphatic and aromatic polar compounds), Oasis MCX (sulfonic-poly(divinylbenzene-co-N-polyvinyl-pyrrolidone) copolymer), and Clean Screen DAU (mixed mode, ion exchanger for acidic and basic compounds) were used as sorbents for the MEPS. The focus was on fast extraction and preconcentration of the drugs with rapid analysis using a time-of-flight (TOF) mass spectrometer as the detector with direct analysis in a real-time (DART) source. The combination of an analysis time of less than 1 min and accurate mass of the first monoisotopic peak of the analyte and the relative abundances of the peaks in the isotopic clusters provided reliable information for identification. Furthermore, the study sought to demonstrate that it is possible to quantify the analyte of interest using a DART source when an internal standard is used. Of all the sorbents used in the study, Clean Screen DAU performed best for extraction of the analytes from urine. Using Clean Screen DAU to extract spiked samples containing the drugs, linearity was demonstrated for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene with average ranges of: 65–910, 75–1100, 95–1200, and 75–1100 ng/mL (n = 5), respectively. The limits of detection (LOD) for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene were 22.9 ng/mL, 23.7 ng/mL, 4.0 ng/mL, and 9.8 ng/mL respectively, using a signal-to-noise ratio of 3:1.},\n\tnumber = {5},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Jagerdeo, Eshwar and Abdel-Rehim, Mohamed},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {891--899},\n}\n\n\n\n\n\n\n\n
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\n Microextraction by packed sorbent (MEPS) has been evaluated for fast screening of drugs of abuse with mass spectrometric detection. In this study, C8 (octyl-silica, useful for nonpolar to moderately polar compounds), ENV+ (hydroxylated polystyrene-divinylbenzene copolymer, for extraction of aliphatic and aromatic polar compounds), Oasis MCX (sulfonic-poly(divinylbenzene-co-N-polyvinyl-pyrrolidone) copolymer), and Clean Screen DAU (mixed mode, ion exchanger for acidic and basic compounds) were used as sorbents for the MEPS. The focus was on fast extraction and preconcentration of the drugs with rapid analysis using a time-of-flight (TOF) mass spectrometer as the detector with direct analysis in a real-time (DART) source. The combination of an analysis time of less than 1 min and accurate mass of the first monoisotopic peak of the analyte and the relative abundances of the peaks in the isotopic clusters provided reliable information for identification. Furthermore, the study sought to demonstrate that it is possible to quantify the analyte of interest using a DART source when an internal standard is used. Of all the sorbents used in the study, Clean Screen DAU performed best for extraction of the analytes from urine. Using Clean Screen DAU to extract spiked samples containing the drugs, linearity was demonstrated for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene with average ranges of: 65–910, 75–1100, 95–1200, and 75–1100 ng/mL (n = 5), respectively. The limits of detection (LOD) for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene were 22.9 ng/mL, 23.7 ng/mL, 4.0 ng/mL, and 9.8 ng/mL respectively, using a signal-to-noise ratio of 3:1.\n
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\n \n\n \n \n \n \n \n NADP+-dependent farnesol dehydrogenase, a corpora allata enzyme involved in juvenile hormone synthesis.\n \n \n \n\n\n \n Mayoral, J. G.; Nouzova, M.; Navare, A.; and Noriega, F. G.\n\n\n \n\n\n\n Proceedings of the National Academy of Sciences, 106(50): 21091–21096. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{mayoral_nadp+-dependent_2009,\n\ttitle = {{NADP}+-dependent farnesol dehydrogenase, a corpora allata enzyme involved in juvenile hormone synthesis},\n\tvolume = {106},\n\tdoi = {10.1073/pnas.0909938106},\n\tabstract = {The synthesis of juvenile hormone (JH) is an attractive target for control of insect pests and vectors of disease, but the minute size of the corpora allata (CA), the glands that synthesize JH, has made it difficult to identify important biosynthetic enzymes by classical biochemical approaches. Here, we report identification and characterization of an insect farnesol dehydrogenase (SDR-1) that oxidizes farnesol into farnesal, a precursor of JH, in the CA. SDR-1 was isolated as an EST in a library of the corpora allata-corpora cardiaca of the mosquito . The 245-amino acid protein presents the typical short-chain dehydrogenase (SDR) Rossmann-fold motif for nucleotide binding. This feature, together with other conserved sequence motifs, place SDR-1 into the “classical” NADP-dependent cP2 SDR subfamily. The gene is part of a group of highly conserved paralogs that cluster together in the mosquito genome; similar clusters of orthologs were found in other insect species. SDR-1 acts as a homodimer and efficiently oxidizes C to C isoprenoid and aliphatic alcohols, showing the highest affinity for the conversion of farnesol into farnesal. Farnesol dehydrogenase activity was not detected in the CA of newly emerged mosquitoes but significant activity was detected 24 h later. Real time PCR experiments revealed that SDR-1 mRNA levels were very low in the inactive CA of the newly emerged female, but increased {\\textgreater}30-fold 24 h later during the peak of JH synthesis. These results suggest that oxidation of farnesol might be a rate-limiting step in JH III synthesis in adult mosquitoes.},\n\tnumber = {50},\n\tjournal = {Proceedings of the National Academy of Sciences},\n\tauthor = {Mayoral, Jaime G. and Nouzova, Marcela and Navare, Arti and Noriega, Fernando G.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {21091--21096},\n}\n\n\n\n
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\n The synthesis of juvenile hormone (JH) is an attractive target for control of insect pests and vectors of disease, but the minute size of the corpora allata (CA), the glands that synthesize JH, has made it difficult to identify important biosynthetic enzymes by classical biochemical approaches. Here, we report identification and characterization of an insect farnesol dehydrogenase (SDR-1) that oxidizes farnesol into farnesal, a precursor of JH, in the CA. SDR-1 was isolated as an EST in a library of the corpora allata-corpora cardiaca of the mosquito . The 245-amino acid protein presents the typical short-chain dehydrogenase (SDR) Rossmann-fold motif for nucleotide binding. This feature, together with other conserved sequence motifs, place SDR-1 into the “classical” NADP-dependent cP2 SDR subfamily. The gene is part of a group of highly conserved paralogs that cluster together in the mosquito genome; similar clusters of orthologs were found in other insect species. SDR-1 acts as a homodimer and efficiently oxidizes C to C isoprenoid and aliphatic alcohols, showing the highest affinity for the conversion of farnesol into farnesal. Farnesol dehydrogenase activity was not detected in the CA of newly emerged mosquitoes but significant activity was detected 24 h later. Real time PCR experiments revealed that SDR-1 mRNA levels were very low in the inactive CA of the newly emerged female, but increased \\textgreater30-fold 24 h later during the peak of JH synthesis. These results suggest that oxidation of farnesol might be a rate-limiting step in JH III synthesis in adult mosquitoes.\n
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\n \n\n \n \n \n \n \n Temperature-dependent release of volatile organic compounds of eucalypts by direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Maleknia, S. D.; Vail, T. M.; Cody, R. B.; Sparkman, D. O.; Bell, T. L.; and Adams, M. A.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 23(15): 2241–2246. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{maleknia_temperature-dependent_2009,\n\ttitle = {Temperature-dependent release of volatile organic compounds of eucalypts by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {23},\n\tissn = {1097-0231},\n\tabstract = {A method is described for the rapid identification of biogenic, volatile organic compounds (VOCs) emitted by plants, including the analysis of the temperature dependence of those emissions. Direct analysis in real time (DART) enabled ionization of VOCs from stem and leaf of several eucalyptus species including E. cinerea, E. citriodora, E. nicholii and E. sideroxylon. Plant tissues were placed directly in the gap between the DART ionization source skimmer and the capillary inlet of the time-of-flight (TOF) mass spectrometer. Temperature-dependent emission of VOCs was achieved by adjusting the temperature of the helium gas into the DART ionization source at 50, 100, 200 and 300°C, which enabled direct evaporation of compounds, up to the onset of pyrolysis of plant fibres (i.e. cellulose and lignin). Accurate mass measurements facilitated by TOF mass spectrometry provided elemental compositions for the VOCs. A wide range of compounds was detected from simple organic compounds (i.e. methanol and acetone) to a series of monoterpenes (i.e. pinene, camphene, cymene, eucalyptol) common to many plant species, as well as several less abundant sesquiterpenes and flavonoids (i.e. naringenin, spathulenol, eucalyptin) with antioxidant and antimicrobial properties. The leaf and stem tissues for all four eucalypt species showed similar compounds. The relative abundances of methanol and ethanol were greater in stem wood than in leaf tissue suggesting that DART could be used to investigate the tissue-specific transport and emissions of VOCs.},\n\tnumber = {15},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Maleknia, Simin D. and Vail, Teresa M. and Cody, Robert B. and Sparkman, David O. and Bell, Tina L. and Adams, Mark A.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {2241--2246},\n}\n\n\n\n
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\n A method is described for the rapid identification of biogenic, volatile organic compounds (VOCs) emitted by plants, including the analysis of the temperature dependence of those emissions. Direct analysis in real time (DART) enabled ionization of VOCs from stem and leaf of several eucalyptus species including E. cinerea, E. citriodora, E. nicholii and E. sideroxylon. Plant tissues were placed directly in the gap between the DART ionization source skimmer and the capillary inlet of the time-of-flight (TOF) mass spectrometer. Temperature-dependent emission of VOCs was achieved by adjusting the temperature of the helium gas into the DART ionization source at 50, 100, 200 and 300°C, which enabled direct evaporation of compounds, up to the onset of pyrolysis of plant fibres (i.e. cellulose and lignin). Accurate mass measurements facilitated by TOF mass spectrometry provided elemental compositions for the VOCs. A wide range of compounds was detected from simple organic compounds (i.e. methanol and acetone) to a series of monoterpenes (i.e. pinene, camphene, cymene, eucalyptol) common to many plant species, as well as several less abundant sesquiterpenes and flavonoids (i.e. naringenin, spathulenol, eucalyptin) with antioxidant and antimicrobial properties. The leaf and stem tissues for all four eucalypt species showed similar compounds. The relative abundances of methanol and ethanol were greater in stem wood than in leaf tissue suggesting that DART could be used to investigate the tissue-specific transport and emissions of VOCs.\n
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\n \n\n \n \n \n \n \n Ambient mass spectrometry employing direct analysis in real time (DART) ion source for olive oil quality and authenticity assessment.\n \n \n \n\n\n \n Vaclavik, L.; Cajka, T.; Hrbek, V.; and Hajslova, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 645(1-2): 56–63. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{vaclavik_ambient_2009,\n\ttitle = {Ambient mass spectrometry employing direct analysis in real time ({DART}) ion source for olive oil quality and authenticity assessment},\n\tvolume = {645},\n\tdoi = {10.1016/j.aca.2009.04.043},\n\tabstract = {A novel approach for the authentication of olive oil samples representing different quality grades has been developed. A new type of ion source, direct analysis in real time (DART), coupled to a high-resolution time-of-flight mass spectrometer (TOFMS) was employed for the comprehensive profiling of triacylglycerols (TAGs) and/or polar compounds extracted with a methanol–water mixture. The main parameters influencing the ionization efficiency of TAGs were the type of sample solvent, degree of sample dilution, ion beam temperature, and presence of a dopant (ammonia vapors). The ionization yield of polar compounds depended mainly on a content of water in the extract and ion beam temperature. Using DART–TOFMS, not only differentiation among extra virgin olive oil (EVOO), olive pomace oil (OPO) and olive oil (OO) could be easily achieved, but also EVOO adulteration with commonly used adulterant, hazelnut oil (HO), was feasible. Based on the linear discriminant analysis (LDA), the introduced method allowed detection of HO addition of 6 and 15\\% (v/v) when assessing DART–TOFMS mass profiles of polar compounds and TAGs, respectively.},\n\tnumber = {1-2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Vaclavik, Lukas and Cajka, Tomas and Hrbek, Vojtech and Hajslova, J.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {56--63},\n}\n\n\n\n
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\n A novel approach for the authentication of olive oil samples representing different quality grades has been developed. A new type of ion source, direct analysis in real time (DART), coupled to a high-resolution time-of-flight mass spectrometer (TOFMS) was employed for the comprehensive profiling of triacylglycerols (TAGs) and/or polar compounds extracted with a methanol–water mixture. The main parameters influencing the ionization efficiency of TAGs were the type of sample solvent, degree of sample dilution, ion beam temperature, and presence of a dopant (ammonia vapors). The ionization yield of polar compounds depended mainly on a content of water in the extract and ion beam temperature. Using DART–TOFMS, not only differentiation among extra virgin olive oil (EVOO), olive pomace oil (OPO) and olive oil (OO) could be easily achieved, but also EVOO adulteration with commonly used adulterant, hazelnut oil (HO), was feasible. Based on the linear discriminant analysis (LDA), the introduced method allowed detection of HO addition of 6 and 15% (v/v) when assessing DART–TOFMS mass profiles of polar compounds and TAGs, respectively.\n
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\n \n\n \n \n \n \n \n Ionization Mechanism of Negative Ion-Direct Analysis in Real Time: A Comparative Study with Negative Ion-Atmospheric Pressure Photoionization.\n \n \n \n\n\n \n Song, L.; Dykstra, A. B.; Yao, H.; and Bartmess, J. E.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(1): 42–50. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{song_ionization_2009,\n\ttitle = {Ionization {Mechanism} of {Negative} {Ion}-{Direct} {Analysis} in {Real} {Time}: {A} {Comparative} {Study} with {Negative} {Ion}-{Atmospheric} {Pressure} {Photoionization}},\n\tvolume = {20},\n\tabstract = {The ionization mechanism of negative ion-direct analysis in real time (NI-DART) has been investigated using over 42 compounds, including fullerenes, perfluorocarbons (PFC), organic explosives, phenols, pentafluorobenzyl (PFB) derivatized phenols, anilines, and carboxylic\nacids, which were previously studied by negative ion-atmospheric pressure photoionization (NI-APPI). NI-DART generated ionization products similar to NI-APPI, which led to four ionization mechanisms, including electron capture (EC), dissociative EC, proton transfer, and\nanion attachment. These four ionization mechanisms make both NI-DART and NI-APPI capable of ionizing a wider range of compounds than negative ion-atmospheric pressure chemical ionization (APCI) or negative ion-electrospray ionization (ESI). As the operation of NI-DART is much easier than that of NI-APPI and the gas-phase ion chemistry of NI-DART is more easily manipulated than that of NI-APPI, NI-DART can be therefore used to study in detail the ionization mechanism of LC/NI-APPI-MS, which would be a powerful methodology for the quantification of low-polarity compounds. Herein, one such application has been further demonstrated in the detection and identification of background ions from LC solvents and APPI dopants, including water, acetonitrile, chloroform, methylene chloride, methanol, 2-propanol, hexanes, heptane, cyclohexane, acetone, tetrahydrofuran (THF), 1,4-dioxane, toluene, and anisole. Possible reaction pathways leading to the formation of these background\nions were further inferred. One of the conclusions from these experiments is that THF and 1,4-dioxane are inappropriate to be used as solvents and/or dopants for LC/NI-APPI-MS due to their high reactivity with source basic ions, leading to many reactant ions in the background.},\n\tnumber = {1},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Song, Liguo and Dykstra, Andrew B. and Yao, Huifang and Bartmess, John E.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {42--50},\n}\n\n\n\n
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\n The ionization mechanism of negative ion-direct analysis in real time (NI-DART) has been investigated using over 42 compounds, including fullerenes, perfluorocarbons (PFC), organic explosives, phenols, pentafluorobenzyl (PFB) derivatized phenols, anilines, and carboxylic acids, which were previously studied by negative ion-atmospheric pressure photoionization (NI-APPI). NI-DART generated ionization products similar to NI-APPI, which led to four ionization mechanisms, including electron capture (EC), dissociative EC, proton transfer, and anion attachment. These four ionization mechanisms make both NI-DART and NI-APPI capable of ionizing a wider range of compounds than negative ion-atmospheric pressure chemical ionization (APCI) or negative ion-electrospray ionization (ESI). As the operation of NI-DART is much easier than that of NI-APPI and the gas-phase ion chemistry of NI-DART is more easily manipulated than that of NI-APPI, NI-DART can be therefore used to study in detail the ionization mechanism of LC/NI-APPI-MS, which would be a powerful methodology for the quantification of low-polarity compounds. Herein, one such application has been further demonstrated in the detection and identification of background ions from LC solvents and APPI dopants, including water, acetonitrile, chloroform, methylene chloride, methanol, 2-propanol, hexanes, heptane, cyclohexane, acetone, tetrahydrofuran (THF), 1,4-dioxane, toluene, and anisole. Possible reaction pathways leading to the formation of these background ions were further inferred. One of the conclusions from these experiments is that THF and 1,4-dioxane are inappropriate to be used as solvents and/or dopants for LC/NI-APPI-MS due to their high reactivity with source basic ions, leading to many reactant ions in the background.\n
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\n \n\n \n \n \n \n \n Pro-Inflammatory Enzymes, Cyclooxygenase 1, Cyclooxygenase 2, and 5-Lipooxygenase, Inhibited by Stabilized Rice Bran Extracts.\n \n \n \n\n\n \n Roschek Jr., B.; Fink, R. C.; Li, D.; McMichael, M.; Tower, C. M.; Smith, R. D.; and Alberte, R. S.\n\n\n \n\n\n\n Journal of Medicinal Food, 12(3): 615–623. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{roschek_jr._pro-inflammatory_2009,\n\ttitle = {Pro-{Inflammatory} {Enzymes}, {Cyclooxygenase} 1, {Cyclooxygenase} 2, and 5-{Lipooxygenase}, {Inhibited} by {Stabilized} {Rice} {Bran} {Extracts}},\n\tvolume = {12},\n\tdoi = {10.1089=jmf.2008.0133},\n\tabstract = {Rice bran, the outer bran and germ of the kernel and a by-product of rice milling, is rich in phytonutrients but\nhas been underutilized because of lipid content instability. New methods for the processing of rice bran have yielded a\nstabilized form that is increasingly used in foods and dietary supplements. Recent studies have documented a role for\nstabilized rice bran (SRB) in treating diabetes and arthritis, although little is known of the bioactive compounds that impart\nthese health benefits. Here we characterize the chemical composition of three extracts of SRB and identify the functional\nbioactives contributing to the inhibitory properties against three key pro-inflammatory enzymes (cyclooxygenase [COX] 1,\nCOX2, and 5-lipoxygenase [5-LOX]) that control the inflammatory cascade involved in impaired joint health, pain, and\narthritis. One extract (SRB-AI) demonstrated significant COX1 and COX2 inhibitory activities with 50\\% inhibitory concentration\n(IC50) values for COX1 and COX2 of 305 and 29 mg=mL, respectively, but no 5-LOX inhibition. The second\nextract (SRB-AII) inhibited COX1, COX2, and 5-LOX with IC50 values of 310, 19, and 396 mg=mL, respectively. The third\nextract (SRB-AIII), a blend of SRB-AI and SRB-AIII, inhibited COX1, COX2, and 5-LOX with respective IC50 values of 48,\n11, and 197 mg=mL. Analysis of the extracts by direct analysis in real time time of flight-mass spectrometry revealed that\nSRB-AI, SRB-AII, and SRB-AIII contain over 620, 770, and 810 compounds, respectively. Of these, 17 were identified as key\nbioactives for COX and=or LOX inhibition. These SRB extracts have applications for functional foods and dietary supplements\nfor control of inflammation and joint health.},\n\tnumber = {3},\n\tjournal = {Journal of Medicinal Food},\n\tauthor = {Roschek Jr., Bill and Fink, Ryan C. and Li, Dan and McMichael, Matthew and Tower, Christine M. and Smith, Robert D. and Alberte, Randall S.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {615--623},\n}\n\n\n\n
\n
\n\n\n
\n Rice bran, the outer bran and germ of the kernel and a by-product of rice milling, is rich in phytonutrients but has been underutilized because of lipid content instability. New methods for the processing of rice bran have yielded a stabilized form that is increasingly used in foods and dietary supplements. Recent studies have documented a role for stabilized rice bran (SRB) in treating diabetes and arthritis, although little is known of the bioactive compounds that impart these health benefits. Here we characterize the chemical composition of three extracts of SRB and identify the functional bioactives contributing to the inhibitory properties against three key pro-inflammatory enzymes (cyclooxygenase [COX] 1, COX2, and 5-lipoxygenase [5-LOX]) that control the inflammatory cascade involved in impaired joint health, pain, and arthritis. One extract (SRB-AI) demonstrated significant COX1 and COX2 inhibitory activities with 50% inhibitory concentration (IC50) values for COX1 and COX2 of 305 and 29 mg=mL, respectively, but no 5-LOX inhibition. The second extract (SRB-AII) inhibited COX1, COX2, and 5-LOX with IC50 values of 310, 19, and 396 mg=mL, respectively. The third extract (SRB-AIII), a blend of SRB-AI and SRB-AIII, inhibited COX1, COX2, and 5-LOX with respective IC50 values of 48, 11, and 197 mg=mL. Analysis of the extracts by direct analysis in real time time of flight-mass spectrometry revealed that SRB-AI, SRB-AII, and SRB-AIII contain over 620, 770, and 810 compounds, respectively. Of these, 17 were identified as key bioactives for COX and=or LOX inhibition. These SRB extracts have applications for functional foods and dietary supplements for control of inflammation and joint health.\n
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\n \n\n \n \n \n \n \n Combining Two-Dimensional Diffusion-Ordered Nuclear Magnetic Resonance Spectroscopy, Imaging Desorption Electrospray Ionization Mass Spectrometry, and Direct Analysis in Real-Time Mass Spectrometry for the Integral Investigation of Counterfeit Pharmaceuticals.\n \n \n \n\n\n \n Nyadong, L.; Harris, G. A.; Balayssac, S.; Galhena, A. S.; Malet-Martino, M.; Martino, R.; Parry, R. M.; Wang, M. D.; Fernández, F. M.; and Gilard, V.\n\n\n \n\n\n\n Analytical Chemistry, 81(12): 4803–4812. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nyadong_combining_2009,\n\ttitle = {Combining {Two}-{Dimensional} {Diffusion}-{Ordered} {Nuclear} {Magnetic} {Resonance} {Spectroscopy}, {Imaging} {Desorption} {Electrospray} {Ionization} {Mass} {Spectrometry}, and {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry} for the {Integral} {Investigation} of {Counterfeit} {Pharmaceuticals}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tabstract = {During the past decade, there has been a marked increase in the number of reported cases involving counterfeit medicines in developing and developed countries. Particularly, artesunate-based antimalarial drugs have been targeted, because of their high demand and cost. Counterfeit antimalarials can cause death and can contribute to the growing problem of drug resistance, particularly in southeast Asia. In this study, the complementarity of two-dimensional diffusion-ordered 1H nuclear magnetic resonance spectroscopy (2D DOSY 1H NMR) with direct analysis in real-time mass spectrometry (DART MS) and desorption electrospray ionization mass spectrometry (DESI MS) was assessed for pharmaceutical forensic purposes. Fourteen different artesunate tablets, representative of what can be purchased from informal sources in southeast Asia, were investigated with these techniques. The expected active pharmaceutical ingredient was detected in only five formulations via both nuclear magnetic resonance (NMR) and mass spectrometry (MS) methods. Common organic excipients such as sucrose, lactose, stearate, dextrin, and starch were also detected. The graphical representation of DOSY 1H NMR results proved very useful for establishing similarities among groups of samples, enabling counterfeit drug “chemotyping”. In addition to bulk- and surface-average analyses, spatially resolved information on the surface composition of counterfeit and genuine antimalarial formulations was obtained using DESI MS that was performed in the imaging mode, which enabled one to visualize the homogeneity of both genuine and counterfeit drug samples. Overall, this study suggests that 2D DOSY 1H NMR, combined with ambient MS, comprises a powerful suite of instrumental analysis methodologies for the integral characterization of counterfeit antimalarials.},\n\tnumber = {12},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nyadong, Leonard and Harris, Glenn A. and Balayssac, Stephane and Galhena, Asiri S. and Malet-Martino, Myriam and Martino, Robert and Parry, R. Mitchell and Wang, May Dongmei and Fernández, Facundo M. and Gilard, Veronique},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {4803--4812},\n}\n\n\n\n
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\n During the past decade, there has been a marked increase in the number of reported cases involving counterfeit medicines in developing and developed countries. Particularly, artesunate-based antimalarial drugs have been targeted, because of their high demand and cost. Counterfeit antimalarials can cause death and can contribute to the growing problem of drug resistance, particularly in southeast Asia. In this study, the complementarity of two-dimensional diffusion-ordered 1H nuclear magnetic resonance spectroscopy (2D DOSY 1H NMR) with direct analysis in real-time mass spectrometry (DART MS) and desorption electrospray ionization mass spectrometry (DESI MS) was assessed for pharmaceutical forensic purposes. Fourteen different artesunate tablets, representative of what can be purchased from informal sources in southeast Asia, were investigated with these techniques. The expected active pharmaceutical ingredient was detected in only five formulations via both nuclear magnetic resonance (NMR) and mass spectrometry (MS) methods. Common organic excipients such as sucrose, lactose, stearate, dextrin, and starch were also detected. The graphical representation of DOSY 1H NMR results proved very useful for establishing similarities among groups of samples, enabling counterfeit drug “chemotyping”. In addition to bulk- and surface-average analyses, spatially resolved information on the surface composition of counterfeit and genuine antimalarial formulations was obtained using DESI MS that was performed in the imaging mode, which enabled one to visualize the homogeneity of both genuine and counterfeit drug samples. Overall, this study suggests that 2D DOSY 1H NMR, combined with ambient MS, comprises a powerful suite of instrumental analysis methodologies for the integral characterization of counterfeit antimalarials.\n
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\n \n\n \n \n \n \n \n Desorption Electrospray/Metastable-Induced Ionization: A Flexible Multimode Ambient Ion Generation Technique.\n \n \n \n\n\n \n Nyadong, L.; Galhena, A. S.; and Fernandez, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 81(18): 7788–7794. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nyadong_desorption_2009,\n\ttitle = {Desorption {Electrospray}/{Metastable}-{Induced} {Ionization}: {A} {Flexible} {Multimode} {Ambient} {Ion} {Generation} {Technique}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tdoi = {10.1021/ac9014098},\n\tabstract = {Presented here is a novel multimode ambient ion source termed desorption electrospray/metastable-induced ionization (DEMI), which integrates the benefits and circumvents some of the limitations of desorption electrospray ionization (DESI, polarity range limited) and direct analysis in real time (DART)-type metastable-induced chemical ionization (MICI, molecular weight limited). This ion source allows three unique operation modes, each with unique capabilities, including spray (DESI-like)-only, MICI-only, and DEMI (multimode), and can be thus operated in each of these modes allowing the detection of a wider range of analytes of interest. Ion source operation in the MICI-only mode is particularly well suited for the analysis of low-polarity, low-molecular weight compounds in powdered, solid, or dissolved samples. Operation of the ion source in spray-only mode shows superior performance for the analysis of high-molecular weight, high-polarity compounds over the MICI-only mode. Heating the nebulizer gas in spray-only mode allows improved analyte solubility in the spray solvent, enabling up to an order of magnitude improvement in sensitivity. Perhaps the most appealing mode of operation of the ion source is the DEMI mode which allows the simultaneous detection of compounds within a much broader range of polarities and molecular weights than each of the individual modes. For drug quality screening and counterfeit detection applications, operation in the DEMI mode results in the generation of both protonated and sodiated analytes. The observation of such complementary ionic species facilitates compound identification when investigating unknowns.},\n\tnumber = {18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nyadong, Leonard and Galhena, Asiri S. and Fernandez, Facundo M.},\n\tyear = {2009},\n\tkeywords = {Thermo LCQ},\n\tpages = {7788--7794},\n}\n\n\n\n
\n
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\n Presented here is a novel multimode ambient ion source termed desorption electrospray/metastable-induced ionization (DEMI), which integrates the benefits and circumvents some of the limitations of desorption electrospray ionization (DESI, polarity range limited) and direct analysis in real time (DART)-type metastable-induced chemical ionization (MICI, molecular weight limited). This ion source allows three unique operation modes, each with unique capabilities, including spray (DESI-like)-only, MICI-only, and DEMI (multimode), and can be thus operated in each of these modes allowing the detection of a wider range of analytes of interest. Ion source operation in the MICI-only mode is particularly well suited for the analysis of low-polarity, low-molecular weight compounds in powdered, solid, or dissolved samples. Operation of the ion source in spray-only mode shows superior performance for the analysis of high-molecular weight, high-polarity compounds over the MICI-only mode. Heating the nebulizer gas in spray-only mode allows improved analyte solubility in the spray solvent, enabling up to an order of magnitude improvement in sensitivity. Perhaps the most appealing mode of operation of the ion source is the DEMI mode which allows the simultaneous detection of compounds within a much broader range of polarities and molecular weights than each of the individual modes. For drug quality screening and counterfeit detection applications, operation in the DEMI mode results in the generation of both protonated and sodiated analytes. The observation of such complementary ionic species facilitates compound identification when investigating unknowns.\n
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\n \n\n \n \n \n \n \n Ionization Mechanism of Positive-Ion Direct Analysis in Real Time: A Transient Microenvironment Concept.\n \n \n \n\n\n \n Song, L.; Gibson, S. C.; Bhandari, D.; Cook, K. D.; and Bartmess, J. E.\n\n\n \n\n\n\n Analytical Chemistry, 81(24): 10080–10088. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{song_ionization_2009,\n\ttitle = {Ionization {Mechanism} of {Positive}-{Ion} {Direct} {Analysis} in {Real} {Time}: {A} {Transient} {Microenvironment} {Concept}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\tdoi = {10.1021/ac901122b},\n\tabstract = {A transient microenvironment mechanism (TMEM) is proposed to address matrix effects for direct analysis in real time (DART). When the DART gas stream is in contact with the sample, a transient microenvironment (TME), which can shield analytes from direct ionization, may be generated through the desorption of the matrix containing the analyte. The DART gas stream can directly ionize the matrix molecules, but the analytes will be ionized primarily through gas-phase ion/molecule reactions with the matrix ions. Experimental results showed that as little as 10 nL of liquid or 10 μg of solid was able to generate an efficient TME. Generated TMEs were able to control the ionization of an analyte below an analyte-to-matrix ratio that was dependent on the DART temperature and the boiling points of the analyte and matrix. TMEs generated by common solvents were studied in detail. The ionization of both polar and nonpolar compounds, present in a solvent or another analyte below a ratio of 1:100, were found to be mainly controlled by the generated TMEs at a DART temperature of 300 °C.},\n\tnumber = {24},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Song, Liguo and Gibson, Stephen C. and Bhandari, Deepak and Cook, Kelsey D. and Bartmess, John E.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {10080--10088},\n}\n\n\n\n
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\n A transient microenvironment mechanism (TMEM) is proposed to address matrix effects for direct analysis in real time (DART). When the DART gas stream is in contact with the sample, a transient microenvironment (TME), which can shield analytes from direct ionization, may be generated through the desorption of the matrix containing the analyte. The DART gas stream can directly ionize the matrix molecules, but the analytes will be ionized primarily through gas-phase ion/molecule reactions with the matrix ions. Experimental results showed that as little as 10 nL of liquid or 10 μg of solid was able to generate an efficient TME. Generated TMEs were able to control the ionization of an analyte below an analyte-to-matrix ratio that was dependent on the DART temperature and the boiling points of the analyte and matrix. TMEs generated by common solvents were studied in detail. The ionization of both polar and nonpolar compounds, present in a solvent or another analyte below a ratio of 1:100, were found to be mainly controlled by the generated TMEs at a DART temperature of 300 °C.\n
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\n \n\n \n \n \n \n \n \"Soft\" or \"hard\" ionisation? Investigation of metastable gas temperature effect on direct analysis in real-time analysis of Voriconazole.\n \n \n \n\n\n \n Lapthorn, C.; and Pullen, F.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 15(5): 587–593. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{lapthorn_soft_2009,\n\ttitle = {"{Soft}" or "hard" ionisation? {Investigation} of metastable gas temperature effect on direct analysis in real-time analysis of {Voriconazole}},\n\tvolume = {15},\n\tissn = {1469-0667},\n\tdoi = {10.1255/ejms.1022},\n\tabstract = {The performance of the direct analysis in real-time (DART) technique was evaluated across a range of metastable gas temperatures for a pharmaceutical compound, Voriconazole, in order to investigate the effect of metastable gas temperature on molecular ion intensity and fragmentation. The DART source has been used to analyse a range of analytes and from a range of matrices including drugs in solid tablet form and preparations, active ingredients in ointment, naturally occurring plant alkaloids, flavours and fragrances, from thin layer chromatography (TLC) plates, melting point tubes and biological matrices including hair, urine and blood. The advantages of this technique include rapid analysis time (as little as 5 s), a reduction in sample preparation requirements, elimination of mobile phase requirement and analysis of samples not typically amenable to atmospheric pressure ionisation (API) techniques. This technology has therefore been proposed as an everyday tool for identification of components in crude organic reaction mixtures.},\n\tnumber = {5},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Lapthorn, Cris and Pullen, Frank},\n\tyear = {2009},\n\tkeywords = {Waters Quad},\n\tpages = {587--593},\n}\n\n\n\n
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\n The performance of the direct analysis in real-time (DART) technique was evaluated across a range of metastable gas temperatures for a pharmaceutical compound, Voriconazole, in order to investigate the effect of metastable gas temperature on molecular ion intensity and fragmentation. The DART source has been used to analyse a range of analytes and from a range of matrices including drugs in solid tablet form and preparations, active ingredients in ointment, naturally occurring plant alkaloids, flavours and fragrances, from thin layer chromatography (TLC) plates, melting point tubes and biological matrices including hair, urine and blood. The advantages of this technique include rapid analysis time (as little as 5 s), a reduction in sample preparation requirements, elimination of mobile phase requirement and analysis of samples not typically amenable to atmospheric pressure ionisation (API) techniques. This technology has therefore been proposed as an everyday tool for identification of components in crude organic reaction mixtures.\n
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\n \n\n \n \n \n \n \n Elementary Guide to Ionization Methods for Mass Spectrometry− Introduction of Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Konuma, K.\n\n\n \n\n\n\n Bunseki, 9: 464–467. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{konuma_elementary_2009,\n\ttitle = {Elementary {Guide} to {Ionization} {Methods} for {Mass} {Spectrometry}− {Introduction} of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {9},\n\tjournal = {Bunseki},\n\tauthor = {Konuma, K.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {464--467},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Screening of Cocaine and Its Metabolites in Human Urine Samples by Direct Analysis in Real-Time Source Coupled to Time-of-Flight Mass Spectrometry After Online Preconcentration Utilizing Microextraction by Packed Sorbent.\n \n \n \n\n\n \n Jagerdeo, E.; and Abdel-Rehim, M.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(5): 891–899. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{jagerdeo_screening_2009,\n\ttitle = {Screening of {Cocaine} and {Its} {Metabolites} in {Human} {Urine} {Samples} by {Direct} {Analysis} in {Real}-{Time} {Source} {Coupled} to {Time}-of-{Flight} {Mass} {Spectrometry} {After} {Online} {Preconcentration} {Utilizing} {Microextraction} by {Packed} {Sorbent}},\n\tvolume = {20},\n\tdoi = {10.1016/j.jasms.2009.01.010},\n\tabstract = {Microextraction by packed sorbent (MEPS) has been evaluated for fast screening of drugs of abuse with mass spectrometric detection. In this study, C8 (octyl-silica, useful for nonpolar to moderately polar compounds), ENV+ (hydroxylated polystyrene-divinylbenzene copolymer, for extraction of aliphatic and aromatic polar compounds), Oasis MCX (sulfonic-poly(divinylbenzene-co-N-polyvinyl-pyrrolidone) copolymer), and Clean Screen DAU (mixed mode, ion exchanger for acidic and basic compounds) were used as sorbents for the MEPS. The focus was on fast extraction and preconcentration of the drugs with rapid analysis using a time-of-flight (TOF) mass spectrometer as the detector with direct analysis in a real-time (DART) source. The combination of an analysis time of less than 1 min and accurate mass of the first monoisotopic peak of the analyte and the relative abundances of the peaks in the isotopic clusters provided reliable information for identification. Furthermore, the study sought to demonstrate that it is possible to quantify the analyte of interest using a DART source when an internal standard is used. Of all the sorbents used in the study, Clean Screen DAU performed best for extraction of the analytes from urine. Using Clean Screen DAU to extract spiked samples containing the drugs, linearity was demonstrated for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene with average ranges of: 65–910, 75–1100, 95–1200, and 75–1100 ng/mL (n = 5), respectively. The limits of detection (LOD) for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene were 22.9 ng/mL, 23.7 ng/mL, 4.0 ng/mL, and 9.8 ng/mL respectively, using a signal-to-noise ratio of 3:1.},\n\tnumber = {5},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Jagerdeo, Eshwar and Abdel-Rehim, Mohamed},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {891--899},\n}\n\n\n\n
\n
\n\n\n
\n Microextraction by packed sorbent (MEPS) has been evaluated for fast screening of drugs of abuse with mass spectrometric detection. In this study, C8 (octyl-silica, useful for nonpolar to moderately polar compounds), ENV+ (hydroxylated polystyrene-divinylbenzene copolymer, for extraction of aliphatic and aromatic polar compounds), Oasis MCX (sulfonic-poly(divinylbenzene-co-N-polyvinyl-pyrrolidone) copolymer), and Clean Screen DAU (mixed mode, ion exchanger for acidic and basic compounds) were used as sorbents for the MEPS. The focus was on fast extraction and preconcentration of the drugs with rapid analysis using a time-of-flight (TOF) mass spectrometer as the detector with direct analysis in a real-time (DART) source. The combination of an analysis time of less than 1 min and accurate mass of the first monoisotopic peak of the analyte and the relative abundances of the peaks in the isotopic clusters provided reliable information for identification. Furthermore, the study sought to demonstrate that it is possible to quantify the analyte of interest using a DART source when an internal standard is used. Of all the sorbents used in the study, Clean Screen DAU performed best for extraction of the analytes from urine. Using Clean Screen DAU to extract spiked samples containing the drugs, linearity was demonstrated for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene with average ranges of: 65–910, 75–1100, 95–1200, and 75–1100 ng/mL (n = 5), respectively. The limits of detection (LOD) for ecgonine methyl ester, benzoylecgonine, cocaine, and cocaethylene were 22.9 ng/mL, 23.7 ng/mL, 4.0 ng/mL, and 9.8 ng/mL respectively, using a signal-to-noise ratio of 3:1.\n
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\n \n\n \n \n \n \n \n Simulations and Experimental Investigation of Atmospheric Transport in an Ambient Metastable-Induced Chemical Ionization Source.\n \n \n \n\n\n \n Harris, G. A.; and Fernandez, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 81(1): 322–329. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{harris_simulations_2009,\n\ttitle = {Simulations and {Experimental} {Investigation} of {Atmospheric} {Transport} in an {Ambient} {Metastable}-{Induced} {Chemical} {Ionization} {Source}},\n\tvolume = {81},\n\tdoi = {10.1021/ac802117u},\n\tabstract = {Since its inception, Direct Analysis in Real Time (DART) has seen utility in a wide range of applications including chemical reaction monitoring, pharmaceutical screening, and forensic mass spectrometry. Despite the growing interest in DART applications, there has been limited research into the fundamental physiochemical phenomena affecting sampling, ionization, and atmospheric ion transport. Presented here are the first experimentally validated finite element method simulations of an ambient DART-type metastable-induced chemical ionization source. It was found that complex coupled fluid dynamics, heat transfer, and electrostatic phenomena within the sampling region determine the variability in ion transmission efficiencies affecting the overall sensitivity of analysis. Particle tracing plots of a circular acetaminophen tablet placed in various positions and orientations yielded insight into optimal sample placement and evidence for sweet spots conducive to better ion transport. Experiments in a wide range of electric field conditions were performed, finding that under optimum sample placement, sensitivity could be improved by as much as 128\\% if ion mobility contributions were minimized.},\n\tnumber = {1},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Harris, Glenn A. and Fernandez, Facundo M.},\n\tyear = {2009},\n\tkeywords = {simulation},\n\tpages = {322--329},\n}\n\n\n\n
\n
\n\n\n
\n Since its inception, Direct Analysis in Real Time (DART) has seen utility in a wide range of applications including chemical reaction monitoring, pharmaceutical screening, and forensic mass spectrometry. Despite the growing interest in DART applications, there has been limited research into the fundamental physiochemical phenomena affecting sampling, ionization, and atmospheric ion transport. Presented here are the first experimentally validated finite element method simulations of an ambient DART-type metastable-induced chemical ionization source. It was found that complex coupled fluid dynamics, heat transfer, and electrostatic phenomena within the sampling region determine the variability in ion transmission efficiencies affecting the overall sensitivity of analysis. Particle tracing plots of a circular acetaminophen tablet placed in various positions and orientations yielded insight into optimal sample placement and evidence for sweet spots conducive to better ion transport. Experiments in a wide range of electric field conditions were performed, finding that under optimum sample placement, sensitivity could be improved by as much as 128% if ion mobility contributions were minimized.\n
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\n \n\n \n \n \n \n \n Rapid Semi-Quantitative Surface Mapping of Airborne-Dispersed Chemicals Using Mass Spectrometry.\n \n \n \n\n\n \n Grange, A.\n\n\n \n\n\n\n Environmental Forensics, 10(3): 183–195. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_rapid_2009,\n\ttitle = {Rapid {Semi}-{Quantitative} {Surface} {Mapping} of {Airborne}-{Dispersed} {Chemicals} {Using} {Mass} {Spectrometry}},\n\tvolume = {10},\n\tabstract = {Chemicals can be dispersed accidentally, deliberately, or by weather-related events. Rapid mapping of contaminant distributions is necessary to assess exposure risks and to plan remediation, when needed. Ten pulverized aspirin or NoDozTM tablets containing caffeine were dispersed across a concrete driveway using the exhaust port of a shop vacuum cleaner. Water-soaked, cotton swabs were used to collect wipe samples from 100 cm2 areas within a 7 x 12 grid pattern to map the caffeine distribution. An autosampler/Direct Analysis in Real Time (DARTTM)/time-of-flight mass spectrometer was used to acquire ion chromatograms for the [M+H]+ semi-quantitation ion (m/z 195). Prior to analysis, unheated, non-energized helium gas was blown across the swabs to remove debris that could plug the cone orifice. Carry over was mitigated by interspersing wipe sample swabs with water-soaked swabs to provide hot water vapor to clean the region around the cone orifice into the mass spectrometer between sample swabs. Carry over was further reduced relative to the ion abundances from analyte peaks by acquiring data a second time. Remaining carry over was seen as ion abundance plateaus in ion chromatograms before and after each analyte peak. The higher plateau was treated as the baseline for each analyte peak by a macro procedure written in Lotus 123TM. A second macro procedure plotted multi-color, semi-quantitation maps for high, moderate, low, and non-detect levels of caffeine.},\n\tnumber = {3},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, A.H.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {183--195},\n}\n\n\n\n
\n
\n\n\n
\n Chemicals can be dispersed accidentally, deliberately, or by weather-related events. Rapid mapping of contaminant distributions is necessary to assess exposure risks and to plan remediation, when needed. Ten pulverized aspirin or NoDozTM tablets containing caffeine were dispersed across a concrete driveway using the exhaust port of a shop vacuum cleaner. Water-soaked, cotton swabs were used to collect wipe samples from 100 cm2 areas within a 7 x 12 grid pattern to map the caffeine distribution. An autosampler/Direct Analysis in Real Time (DARTTM)/time-of-flight mass spectrometer was used to acquire ion chromatograms for the [M+H]+ semi-quantitation ion (m/z 195). Prior to analysis, unheated, non-energized helium gas was blown across the swabs to remove debris that could plug the cone orifice. Carry over was mitigated by interspersing wipe sample swabs with water-soaked swabs to provide hot water vapor to clean the region around the cone orifice into the mass spectrometer between sample swabs. Carry over was further reduced relative to the ion abundances from analyte peaks by acquiring data a second time. Remaining carry over was seen as ion abundance plateaus in ion chromatograms before and after each analyte peak. The higher plateau was treated as the baseline for each analyte peak by a macro procedure written in Lotus 123TM. A second macro procedure plotted multi-color, semi-quantitation maps for high, moderate, low, and non-detect levels of caffeine.\n
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\n \n\n \n \n \n \n \n Determination of the Presence or Absence of Sulfur Materials in Drywall Using Direct Analysis in Real Time in Conjunction with an Accurate-Mass Time-of-Flight Mass Spectrometer.\n \n \n \n\n\n \n Curtis, M. E.; Jones, P. R.; Sparkman, O. D.; and Cody, R. B.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(11): 2082–2086. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{curtis_determination_2009,\n\ttitle = {Determination of the {Presence} or {Absence} of {Sulfur} {Materials} in {Drywall} {Using} {Direct} {Analysis} in {Real} {Time} in {Conjunction} with an {Accurate}-{Mass} {Time}-of-{Flight} {Mass} {Spectrometer}},\n\tvolume = {20},\n\tissn = {1044-0305},\n\tabstract = {Based on the concern about the presence of sulfur materials being in drywall (wallboard), a quick and reliable test to confirm the presence or absence of these materials using direct analysis in real time (DART) mass spectrometry in conjunction with an accurate-mass time-of-flight (TOF) mass spectrometer has been developed and is described here.},\n\tnumber = {11},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Curtis, Matthew E. and Jones, Patrick R. and Sparkman, O. David and Cody, Robert B.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {2082--2086},\n}\n\n\n\n
\n
\n\n\n
\n Based on the concern about the presence of sulfur materials being in drywall (wallboard), a quick and reliable test to confirm the presence or absence of these materials using direct analysis in real time (DART) mass spectrometry in conjunction with an accurate-mass time-of-flight (TOF) mass spectrometer has been developed and is described here.\n
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\n \n\n \n \n \n \n \n The Observation of Molecular Ions and Analysis of Nonpolar Compounds with the Direct Analysis in Real Time Ion Source.\n \n \n \n\n\n \n Cody, R. B.\n\n\n \n\n\n\n Analytical Chemistry, 81(3): 1101–1107. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cody_observation_2009,\n\ttitle = {The {Observation} of {Molecular} {Ions} and {Analysis} of {Nonpolar} {Compounds} with the {Direct} {Analysis} in {Real} {Time} {Ion} {Source}},\n\tvolume = {81},\n\tdoi = {10.1021/ac8022108},\n\tabstract = {Positive ions in the direct analysis in real time (DART) ion source are commonly formed by proton transfer. However, the DART source is similar to atmospheric pressure photoionization (APPI) in that it can produce molecular ions as well as protonated molecules, although the two sources differ in the initial ion formation process. This report discusses some of the factors that influence molecular ion formation in DART and shows how the DART source can be used to analyze “difficult” or nonpolar compounds such as alkanes and cholesterol. Trace reagent ions including NO+ and O2+· formed from atmospheric gases are shown to play important roles in DART ionization. The use of the DART source as a gas chromatography/mass spectrometry (GC/MS) interface is demonstrated to show the difference between mass spectra obtained using conditions that favor proton transfer and those that favor molecular ion formation.},\n\tnumber = {3},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Cody, R. B.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1101--1107},\n}\n\n\n\n
\n
\n\n\n
\n Positive ions in the direct analysis in real time (DART) ion source are commonly formed by proton transfer. However, the DART source is similar to atmospheric pressure photoionization (APPI) in that it can produce molecular ions as well as protonated molecules, although the two sources differ in the initial ion formation process. This report discusses some of the factors that influence molecular ion formation in DART and shows how the DART source can be used to analyze “difficult” or nonpolar compounds such as alkanes and cholesterol. Trace reagent ions including NO+ and O2+· formed from atmospheric gases are shown to play important roles in DART ionization. The use of the DART source as a gas chromatography/mass spectrometry (GC/MS) interface is demonstrated to show the difference between mass spectra obtained using conditions that favor proton transfer and those that favor molecular ion formation.\n
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\n \n\n \n \n \n \n \n Ambient Mass Spectrometric Detection of Organometallic Compounds Using Direct Analysis in Real Time.\n \n \n \n\n\n \n Borges, D.; Sturgeon, R.; Welz, B.; Curtius, A.; and Mester, Z.\n\n\n \n\n\n\n Analytical Chemistry, 81(23): 9834–9839. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{borges_ambient_2009,\n\ttitle = {Ambient {Mass} {Spectrometric} {Detection} of {Organometallic} {Compounds} {Using} {Direct} {Analysis} in {Real} {Time}},\n\tvolume = {81},\n\tdoi = {10.1021/ac901778n},\n\tabstract = {The present work describes the mass spectrometric detection of organometallic compounds following their atmospheric pressure ionization using a commercial direct analysis in real time (DART) ion source. Several organometallic compounds of As, Fe, Hg, Pb, Se, and Sn were examined, and their corresponding mass spectra as well as induced fragmentation patterns were recorded. Gas phase sampling of the pure organometallic compounds or their solutions prepared in toluene generated temporally stable signals. For the majority of the compounds, the molecular ion or protonated molecule was detected; noticeable exceptions are the tetra-substituted compounds for which their less-substituted species dominated. The organometallic species were used as model compounds for a systematic investigation of the impact of operating parameters of the DART source, including gas temperature and electrode voltages. In general, results have shown that powering the electrodes designed to remove ions from the DART gas stream results in a reduction in signal intensity for most of the compounds investigated, suggesting that charged species from the plasma play an important role in the ionization process of the test analytes.},\n\tnumber = {23},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Borges, D.L.G. and Sturgeon, R.E. and Welz, B. and Curtius, A.J. and Mester, Z.},\n\tyear = {2009},\n\tkeywords = {Thermo LTQ},\n\tpages = {9834--9839},\n}\n\n\n\n
\n
\n\n\n
\n The present work describes the mass spectrometric detection of organometallic compounds following their atmospheric pressure ionization using a commercial direct analysis in real time (DART) ion source. Several organometallic compounds of As, Fe, Hg, Pb, Se, and Sn were examined, and their corresponding mass spectra as well as induced fragmentation patterns were recorded. Gas phase sampling of the pure organometallic compounds or their solutions prepared in toluene generated temporally stable signals. For the majority of the compounds, the molecular ion or protonated molecule was detected; noticeable exceptions are the tetra-substituted compounds for which their less-substituted species dominated. The organometallic species were used as model compounds for a systematic investigation of the impact of operating parameters of the DART source, including gas temperature and electrode voltages. In general, results have shown that powering the electrodes designed to remove ions from the DART gas stream results in a reduction in signal intensity for most of the compounds investigated, suggesting that charged species from the plasma play an important role in the ionization process of the test analytes.\n
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\n \n\n \n \n \n \n \n \n An Improved Protocol for the Analysis of Alcohols by Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Nilles, J.; and Connell, T.\n\n\n \n\n\n\n American Laboratory, 41(7): 25–27. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{laramee_improved_2009,\n\ttitle = {An {Improved} {Protocol} for the {Analysis} of {Alcohols} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {41},\n\turl = {http://www.americanlaboratory.com/914-Application-Notes/673-An-Improved-Protocol-for-the-Analysis-of-Alcohols-by-Direct-Analysis-in-Real-Time-Mass-Spectrometry/},\n\tabstract = {It was previously reported1 that when Direct Analysis in Real Time (DART™) (JEOL USA, Inc., Peabody, MA) mass spectrometry was applied to the analysis of very pure alcohols, their mass spectra were unexpectedly complicated. The plethora of peaks was found to be a DART-induced artifact that resulted from the open-air nature of the technique. This problem was solved by converting the alcohol into its corresponding carbamate via an N-hydro-C-alkoxy-addition reaction (reaction 1) with phenyl isocyanate:\n\nROH + C6H5NCO → RO−C(O)NHC6H5 (1)\n\nAlthough this reaction conveniently allows alcohols to be DART’ed, the reaction time ranges from 1 to 16 hr. This obviously led the authors to test the hypothesis that shorter reaction times can be achieved by using activated phenyl isocyanates with proper ring substitution. It is now timely to report these results.},\n\tnumber = {7},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D. and Nilles, J.M. and Connell, T.R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {25--27},\n}\n\n\n\n
\n
\n\n\n
\n It was previously reported1 that when Direct Analysis in Real Time (DART™) (JEOL USA, Inc., Peabody, MA) mass spectrometry was applied to the analysis of very pure alcohols, their mass spectra were unexpectedly complicated. The plethora of peaks was found to be a DART-induced artifact that resulted from the open-air nature of the technique. This problem was solved by converting the alcohol into its corresponding carbamate via an N-hydro-C-alkoxy-addition reaction (reaction 1) with phenyl isocyanate: ROH + C6H5NCO → RO−C(O)NHC6H5 (1) Although this reaction conveniently allows alcohols to be DART’ed, the reaction time ranges from 1 to 16 hr. This obviously led the authors to test the hypothesis that shorter reaction times can be achieved by using activated phenyl isocyanates with proper ring substitution. It is now timely to report these results.\n
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\n \n\n \n \n \n \n \n \n Alcohols Can Now Be Analyzed by a Direct Analysis in Real-Time Method: Applications for Chemical Warfare Agent Synthesis.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Nilles, J.; and Connell, T.\n\n\n \n\n\n\n American Laboratory, 41(4): 24–27. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AlcoholsPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramee_alcohols_2009,\n\ttitle = {Alcohols {Can} {Now} {Be} {Analyzed} by a {Direct} {Analysis} in {Real}-{Time} {Method}: {Applications} for {Chemical} {Warfare} {Agent} {Synthesis}},\n\tvolume = {41},\n\turl = {http://www.americanlaboratory.com/914-Application-Notes/652-Alcohols-Can-Now-Be-Analyzed-by-a-Direct-Analysis-in-Real-Time-Method-Applications-for-Chemical-Warfare-Agent-Synthesis/},\n\tabstract = {The cardinal principle for an operation involving chemical agents is to limit the potential exposure to a minimum number of personnel, for a minimum period of time, to a minimum amount of the chemical agent consistent with safe and efficient operations.1 This requires that the synthetic schemes be rapid and free from unnecessary by-products that would require otherwise further sample handling. Thus, acid/base chemistries with alcohols as intermediates are often used to synthesize phosphonofluoridates, phosphoramidocyanidate, and phosphonothioates.\n\nDovetailing into the cardinal principle is the need for a rapid chemical analysis method that can accurately confirm the identity and purity of the starting materials, intermediates, and final product(s). In order to accomplish these objectives, the U.S. Army’s Edgewood Chemical Biological Center (ECBC) has been using the Direct Analysis in Real Time (DART™) method (JEOL USA, Inc., Peabody, MA) since 2002.2 Since that time, a flurry of other open-air methods based on the use of metastable species has been seen.\n\nDuring the course of a large synthesis project comprising many organophosphorus compounds and their isotopically labeled analogs, it was observed that the DART datum for labeled alcohol intermediates neither corroborated the nuclear magnetic resonance (NMR) datum nor the GC-MS datum. Yet the data from these three analytical methods were in agreement when the final chemical agent product was analyzed. An investigation was initiated in order to discover the cause of this discrepancy, and a procedure was developed that allowed alcohols and organophosphorus intermediates to be analyzed by DART.},\n\tnumber = {4},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D. and Nilles, J.M. and Connell, T.R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {24--27},\n}\n\n\n\n
\n
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\n The cardinal principle for an operation involving chemical agents is to limit the potential exposure to a minimum number of personnel, for a minimum period of time, to a minimum amount of the chemical agent consistent with safe and efficient operations.1 This requires that the synthetic schemes be rapid and free from unnecessary by-products that would require otherwise further sample handling. Thus, acid/base chemistries with alcohols as intermediates are often used to synthesize phosphonofluoridates, phosphoramidocyanidate, and phosphonothioates. Dovetailing into the cardinal principle is the need for a rapid chemical analysis method that can accurately confirm the identity and purity of the starting materials, intermediates, and final product(s). In order to accomplish these objectives, the U.S. Army’s Edgewood Chemical Biological Center (ECBC) has been using the Direct Analysis in Real Time (DART™) method (JEOL USA, Inc., Peabody, MA) since 2002.2 Since that time, a flurry of other open-air methods based on the use of metastable species has been seen. During the course of a large synthesis project comprising many organophosphorus compounds and their isotopically labeled analogs, it was observed that the DART datum for labeled alcohol intermediates neither corroborated the nuclear magnetic resonance (NMR) datum nor the GC-MS datum. Yet the data from these three analytical methods were in agreement when the final chemical agent product was analyzed. An investigation was initiated in order to discover the cause of this discrepancy, and a procedure was developed that allowed alcohols and organophosphorus intermediates to be analyzed by DART.\n
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\n \n\n \n \n \n \n \n Detection of Peroxide and Tetrazine Explosives on Surfaces by Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; Durst, H. D.; Connell, T. R.; and Nilles, J. M.\n\n\n \n\n\n\n American Laboratory Online Edition, 2(2): 1–5. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{laramee_detection_2009,\n\ttitle = {Detection of {Peroxide} and {Tetrazine} {Explosives} on {Surfaces} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {2},\n\tnumber = {2},\n\tjournal = {American Laboratory Online Edition},\n\tauthor = {Laramée, James A. and Durst, H. Dupont and Connell, Theresa R. and Nilles, J. Michael},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1--5},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Detection of Gamma-Hydroxybutyric Acid in Various Drink Matrices via AccuTOF-DART*.\n \n \n \n \n\n\n \n Bennett, M. J.; and Steiner, R. R.\n\n\n \n\n\n\n Journal of Forensic Sciences, 54(2): 370–375. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{bennett_detection_2009,\n\ttitle = {Detection of {Gamma}-{Hydroxybutyric} {Acid} in {Various} {Drink} {Matrices} via {AccuTOF}-{DART}*},\n\tvolume = {54},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2008.00955.x},\n\tdoi = {10.1111/j.1556-4029.2008.00955.x},\n\tabstract = {Abstract:  A new screening method for detecting gamma-hydroxybutyric acid (GHB) in drink matrices, using the IonSense, Inc. (Saugus, MA) direct analysis in real time (DART) ion source coupled to a JEOL exact mass time-of-flight mass spectrometer (AccuTOF), was validated and compared with the current screening methodology. The DART ion source allows for analysis of samples under ambient conditions with little to no sample preparation. Fifty drink specimens were spiked at levels of 1, 2, 3, and 4 mg/mL GHB, and analyzed on the AccuTOF-DART. Positive detection of GHB occurred for each of the samples at each concentration level, giving 100\\% accuracy for the samples tested. Twenty-five of the 50 drink specimens were spiked at 1 mg/mL GHB and tested using a color test known as the GHB Color Test \\#3. Only two of these 25 specimens tested positive for the presence of GHB, giving only 8\\% accuracy. Implementation of this new methodology as a screening tool for GHB analysis will quickly eliminate negative specimens allowing the examiner to focus analysis time on those that screened positive.},\n\tnumber = {2},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Bennett, Mark J. and Steiner, Robert R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF, Direct analysis in real time, Screening, controlled substances, forensic science, gamma-hydroxybutyrate, gamma-hydroxybutyric acid, mass spectrometry, time of flight},\n\tpages = {370--375},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Abstract:  A new screening method for detecting gamma-hydroxybutyric acid (GHB) in drink matrices, using the IonSense, Inc. (Saugus, MA) direct analysis in real time (DART) ion source coupled to a JEOL exact mass time-of-flight mass spectrometer (AccuTOF), was validated and compared with the current screening methodology. The DART ion source allows for analysis of samples under ambient conditions with little to no sample preparation. Fifty drink specimens were spiked at levels of 1, 2, 3, and 4 mg/mL GHB, and analyzed on the AccuTOF-DART. Positive detection of GHB occurred for each of the samples at each concentration level, giving 100% accuracy for the samples tested. Twenty-five of the 50 drink specimens were spiked at 1 mg/mL GHB and tested using a color test known as the GHB Color Test #3. Only two of these 25 specimens tested positive for the presence of GHB, giving only 8% accuracy. Implementation of this new methodology as a screening tool for GHB analysis will quickly eliminate negative specimens allowing the examiner to focus analysis time on those that screened positive.\n
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\n \n\n \n \n \n \n \n \n Ambient Mass Spectrometric Detection of Organometallic Compounds Using Direct Analysis in Real Time.\n \n \n \n \n\n\n \n Borges, D.; Sturgeon, R.; Welz, B.; Curtius, A.; and Mester, Z.\n\n\n \n\n\n\n Analytical Chemistry, 81(23): 9834–9839. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{borges_ambient_2009,\n\ttitle = {Ambient {Mass} {Spectrometric} {Detection} of {Organometallic} {Compounds} {Using} {Direct} {Analysis} in {Real} {Time}},\n\tvolume = {81},\n\turl = {internal-pdf://Anal_Chem_2009_81_9834–9839-2930645791/Anal_Chem_2009_81_9834–9839.pdf},\n\tdoi = {10.1021/ac901778n},\n\tabstract = {The present work describes the mass spectrometric detection of organometallic compounds following their atmospheric pressure ionization using a commercial direct analysis in real time (DART) ion source. Several organometallic compounds of As, Fe, Hg, Pb, Se, and Sn were examined, and their corresponding mass spectra as well as induced fragmentation patterns were recorded. Gas phase sampling of the pure organometallic compounds or their solutions prepared in toluene generated temporally stable signals. For the majority of the compounds, the molecular ion or protonated molecule was detected; noticeable exceptions are the tetra-substituted compounds for which their less-substituted species dominated. The organometallic species were used as model compounds for a systematic investigation of the impact of operating parameters of the DART source, including gas temperature and electrode voltages. In general, results have shown that powering the electrodes designed to remove ions from the DART gas stream results in a reduction in signal intensity for most of the compounds investigated, suggesting that charged species from the plasma play an important role in the ionization process of the test analytes.},\n\tnumber = {23},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Borges, D.L.G. and Sturgeon, R.E. and Welz, B. and Curtius, A.J. and Mester, Z.},\n\tyear = {2009},\n\tkeywords = {LTQ, Thermo},\n\tpages = {9834--9839},\n}\n\n\n\n
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\n The present work describes the mass spectrometric detection of organometallic compounds following their atmospheric pressure ionization using a commercial direct analysis in real time (DART) ion source. Several organometallic compounds of As, Fe, Hg, Pb, Se, and Sn were examined, and their corresponding mass spectra as well as induced fragmentation patterns were recorded. Gas phase sampling of the pure organometallic compounds or their solutions prepared in toluene generated temporally stable signals. For the majority of the compounds, the molecular ion or protonated molecule was detected; noticeable exceptions are the tetra-substituted compounds for which their less-substituted species dominated. The organometallic species were used as model compounds for a systematic investigation of the impact of operating parameters of the DART source, including gas temperature and electrode voltages. In general, results have shown that powering the electrodes designed to remove ions from the DART gas stream results in a reduction in signal intensity for most of the compounds investigated, suggesting that charged species from the plasma play an important role in the ionization process of the test analytes.\n
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\n \n\n \n \n \n \n \n Identification of a cannabimimetic indole as a designer drug in a herbal product.\n \n \n \n\n\n \n Uchiyama, N.; Kikura-Hanajiri, R.; Kawahara, N.; and Goda, Y.\n\n\n \n\n\n\n Forensic Toxicology, 27(2): 61–66. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{uchiyama_identification_2009,\n\ttitle = {Identification of a cannabimimetic indole as a designer drug in a herbal product},\n\tvolume = {27},\n\tnumber = {2},\n\tjournal = {Forensic Toxicology},\n\tauthor = {Uchiyama, N. and Kikura-Hanajiri, R. and Kawahara, N. and Goda, Y.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {61--66},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Desorption Electrospray/Metastable-Induced Ionization: A Flexible Multimode Ambient Ion Generation Technique.\n \n \n \n \n\n\n \n Nyadong, L.; Galhena, A. S.; and Fernandez, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 81(18): 7788–7794. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"DesorptionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{nyadong_desorption_2009,\n\ttitle = {Desorption {Electrospray}/{Metastable}-{Induced} {Ionization}: {A} {Flexible} {Multimode} {Ambient} {Ion} {Generation} {Technique}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\turl = {internal-pdf://Anal_Chem_2009_81_7788-7794-1622666271/Anal_Chem_2009_81_7788-7794.pdf},\n\tdoi = {10.1021/ac9014098},\n\tabstract = {Presented here is a novel multimode ambient ion source termed desorption electrospray/metastable-induced ionization (DEMI), which integrates the benefits and circumvents some of the limitations of desorption electrospray ionization (DESI, polarity range limited) and direct analysis in real time (DART)-type metastable-induced chemical ionization (MICI, molecular weight limited). This ion source allows three unique operation modes, each with unique capabilities, including spray (DESI-like)-only, MICI-only, and DEMI (multimode), and can be thus operated in each of these modes allowing the detection of a wider range of analytes of interest. Ion source operation in the MICI-only mode is particularly well suited for the analysis of low-polarity, low-molecular weight compounds in powdered, solid, or dissolved samples. Operation of the ion source in spray-only mode shows superior performance for the analysis of high-molecular weight, high-polarity compounds over the MICI-only mode. Heating the nebulizer gas in spray-only mode allows improved analyte solubility in the spray solvent, enabling up to an order of magnitude improvement in sensitivity. Perhaps the most appealing mode of operation of the ion source is the DEMI mode which allows the simultaneous detection of compounds within a much broader range of polarities and molecular weights than each of the individual modes. For drug quality screening and counterfeit detection applications, operation in the DEMI mode results in the generation of both protonated and sodiated analytes. The observation of such complementary ionic species facilitates compound identification when investigating unknowns.},\n\tnumber = {18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nyadong, Leonard and Galhena, Asiri S. and Fernandez, Facundo M.},\n\tyear = {2009},\n\tkeywords = {LCQ, Thermo},\n\tpages = {7788--7794},\n}\n\n\n\n
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\n Presented here is a novel multimode ambient ion source termed desorption electrospray/metastable-induced ionization (DEMI), which integrates the benefits and circumvents some of the limitations of desorption electrospray ionization (DESI, polarity range limited) and direct analysis in real time (DART)-type metastable-induced chemical ionization (MICI, molecular weight limited). This ion source allows three unique operation modes, each with unique capabilities, including spray (DESI-like)-only, MICI-only, and DEMI (multimode), and can be thus operated in each of these modes allowing the detection of a wider range of analytes of interest. Ion source operation in the MICI-only mode is particularly well suited for the analysis of low-polarity, low-molecular weight compounds in powdered, solid, or dissolved samples. Operation of the ion source in spray-only mode shows superior performance for the analysis of high-molecular weight, high-polarity compounds over the MICI-only mode. Heating the nebulizer gas in spray-only mode allows improved analyte solubility in the spray solvent, enabling up to an order of magnitude improvement in sensitivity. Perhaps the most appealing mode of operation of the ion source is the DEMI mode which allows the simultaneous detection of compounds within a much broader range of polarities and molecular weights than each of the individual modes. For drug quality screening and counterfeit detection applications, operation in the DEMI mode results in the generation of both protonated and sodiated analytes. The observation of such complementary ionic species facilitates compound identification when investigating unknowns.\n
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\n \n\n \n \n \n \n \n \n Ambient mass spectrometry employing direct analysis in real time (DART) ion source for olive oil quality and authenticity assessment.\n \n \n \n \n\n\n \n Vaclavik, L.; Cajka, T.; Hrbek, V.; and Hajslova, J.\n\n\n \n\n\n\n Analytica Chimica Acta, 645(1-2): 56–63. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_ambient_2009,\n\ttitle = {Ambient mass spectrometry employing direct analysis in real time ({DART}) ion source for olive oil quality and authenticity assessment},\n\tvolume = {645},\n\turl = {internal-pdf://Analytica_Chimica_Acta_2009_645_56–63-3988605727/Analytica_Chimica_Acta_2009_645_56–63.pdf},\n\tdoi = {10.1016/j.aca.2009.04.043},\n\tabstract = {A novel approach for the authentication of olive oil samples representing different quality grades has been developed. A new type of ion source, direct analysis in real time (DART), coupled to a high-resolution time-of-flight mass spectrometer (TOFMS) was employed for the comprehensive profiling of triacylglycerols (TAGs) and/or polar compounds extracted with a methanol–water mixture. The main parameters influencing the ionization efficiency of TAGs were the type of sample solvent, degree of sample dilution, ion beam temperature, and presence of a dopant (ammonia vapors). The ionization yield of polar compounds depended mainly on a content of water in the extract and ion beam temperature. Using DART–TOFMS, not only differentiation among extra virgin olive oil (EVOO), olive pomace oil (OPO) and olive oil (OO) could be easily achieved, but also EVOO adulteration with commonly used adulterant, hazelnut oil (HO), was feasible. Based on the linear discriminant analysis (LDA), the introduced method allowed detection of HO addition of 6 and 15\\% (v/v) when assessing DART–TOFMS mass profiles of polar compounds and TAGs, respectively.},\n\tnumber = {1-2},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Vaclavik, Lukas and Cajka, Tomas and Hrbek, Vojtech and Hajslova, J.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {56--63},\n}\n\n\n\n
\n
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\n A novel approach for the authentication of olive oil samples representing different quality grades has been developed. A new type of ion source, direct analysis in real time (DART), coupled to a high-resolution time-of-flight mass spectrometer (TOFMS) was employed for the comprehensive profiling of triacylglycerols (TAGs) and/or polar compounds extracted with a methanol–water mixture. The main parameters influencing the ionization efficiency of TAGs were the type of sample solvent, degree of sample dilution, ion beam temperature, and presence of a dopant (ammonia vapors). The ionization yield of polar compounds depended mainly on a content of water in the extract and ion beam temperature. Using DART–TOFMS, not only differentiation among extra virgin olive oil (EVOO), olive pomace oil (OPO) and olive oil (OO) could be easily achieved, but also EVOO adulteration with commonly used adulterant, hazelnut oil (HO), was feasible. Based on the linear discriminant analysis (LDA), the introduced method allowed detection of HO addition of 6 and 15% (v/v) when assessing DART–TOFMS mass profiles of polar compounds and TAGs, respectively.\n
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\n \n\n \n \n \n \n \n \n Detection of Peroxide and Tetrazine Explosives on Surfaces by Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Laramée, J. A.; Durst, H. D.; Connell, T. R.; and Nilles, J. M.\n\n\n \n\n\n\n American Laboratory Online Edition, 2(2): 1–5. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramae_detection_2009,\n\ttitle = {Detection of {Peroxide} and {Tetrazine} {Explosives} on {Surfaces} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {2},\n\turl = {internal-pdf://Amer_Lab_Online_2009_2_1-5-2377357087/Amer_Lab_Online_2009_2_1-5.pdf},\n\tnumber = {2},\n\tjournal = {American Laboratory Online Edition},\n\tauthor = {Laramée, James A. and Durst, H. Dupont and Connell, Theresa R. and Nilles, J. Michael},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1--5},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n The Observation of Molecular Ions and Analysis of Nonpolar Compounds with the Direct Analysis in Real Time Ion Source.\n \n \n \n \n\n\n \n Cody, R. B.\n\n\n \n\n\n\n Analytical Chemistry, 81(3): 1101–1107. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cody_observation_2009,\n\ttitle = {The {Observation} of {Molecular} {Ions} and {Analysis} of {Nonpolar} {Compounds} with the {Direct} {Analysis} in {Real} {Time} {Ion} {Source}},\n\tvolume = {81},\n\turl = {internal-pdf://Anal_Chem_2009_81_1101-1107-3299776287/Anal_Chem_2009_81_1101-1107.pdf},\n\tdoi = {10.1021/ac8022108},\n\tabstract = {Positive ions in the direct analysis in real time (DART) ion source are commonly formed by proton transfer. However, the DART source is similar to atmospheric pressure photoionization (APPI) in that it can produce molecular ions as well as protonated molecules, although the two sources differ in the initial ion formation process. This report discusses some of the factors that influence molecular ion formation in DART and shows how the DART source can be used to analyze “difficult” or nonpolar compounds such as alkanes and cholesterol. Trace reagent ions including NO+ and O2+· formed from atmospheric gases are shown to play important roles in DART ionization. The use of the DART source as a gas chromatography/mass spectrometry (GC/MS) interface is demonstrated to show the difference between mass spectra obtained using conditions that favor proton transfer and those that favor molecular ion formation.},\n\tnumber = {3},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Cody, R. B.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1101--1107},\n}\n\n\n\n
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\n Positive ions in the direct analysis in real time (DART) ion source are commonly formed by proton transfer. However, the DART source is similar to atmospheric pressure photoionization (APPI) in that it can produce molecular ions as well as protonated molecules, although the two sources differ in the initial ion formation process. This report discusses some of the factors that influence molecular ion formation in DART and shows how the DART source can be used to analyze “difficult” or nonpolar compounds such as alkanes and cholesterol. Trace reagent ions including NO+ and O2+· formed from atmospheric gases are shown to play important roles in DART ionization. The use of the DART source as a gas chromatography/mass spectrometry (GC/MS) interface is demonstrated to show the difference between mass spectra obtained using conditions that favor proton transfer and those that favor molecular ion formation.\n
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\n \n\n \n \n \n \n \n \n Ionization Mechanism of Negative Ion-Direct Analysis in Real Time: A Comparative Study with Negative Ion-Atmospheric Pressure Photoionization.\n \n \n \n \n\n\n \n Song, L.; Dykstra, A. B.; Yao, H.; and Bartmess, J. E.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(1): 42–50. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"IonizationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{song_ionization_2009,\n\ttitle = {Ionization {Mechanism} of {Negative} {Ion}-{Direct} {Analysis} in {Real} {Time}: {A} {Comparative} {Study} with {Negative} {Ion}-{Atmospheric} {Pressure} {Photoionization}},\n\tvolume = {20},\n\turl = {internal-pdf://JASMS_2009_20_42–50-3736836127/JASMS_2009_20_42–50.pdf},\n\tabstract = {The ionization mechanism of negative ion-direct analysis in real time (NI-DART) has been investigated using over 42 compounds, including fullerenes, perfluorocarbons (PFC), organic explosives, phenols, pentafluorobenzyl (PFB) derivatized phenols, anilines, and carboxylic acids, which were previously studied by negative ion-atmospheric pressure photoionization (NI-APPI). NI-DART generated ionization products similar to NI-APPI, which led to four ionization mechanisms, including electron capture (EC), dissociative EC, proton transfer, and anion attachment. These four ionization mechanisms make both NI-DART and NI-APPI capable of ionizing a wider range of compounds than negative ion-atmospheric pressure chemical ionization (APCI) or negative ion-electrospray ionization (ESI). As the operation of NI-DART is much easier than that of NI-APPI and the gas-phase ion chemistry of NI-DART is more easily manipulated than that of NI-APPI, NI-DART can be therefore used to study in detail the ionization mechanism of LC/NI-APPI-MS, which would be a powerful methodology for the quantification of low-polarity compounds. Herein, one such application has been further demonstrated in the detection and identification of background ions from LC solvents and APPI dopants, including water, acetonitrile, chloroform, methylene chloride, methanol, 2-propanol, hexanes, heptane, cyclohexane, acetone, tetrahydrofuran (THF), 1,4-dioxane, toluene, and anisole. Possible reaction pathways leading to the formation of these background ions were further inferred. One of the conclusions from these experiments is that THF and 1,4-dioxane are inappropriate to be used as solvents and/or dopants for LC/NI-APPI-MS due to their high reactivity with source basic ions, leading to many reactant ions in the background.},\n\tnumber = {1},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Song, Liguo and Dykstra, Andrew B. and Yao, Huifang and Bartmess, John E.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {42--50},\n}\n\n\n\n
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\n The ionization mechanism of negative ion-direct analysis in real time (NI-DART) has been investigated using over 42 compounds, including fullerenes, perfluorocarbons (PFC), organic explosives, phenols, pentafluorobenzyl (PFB) derivatized phenols, anilines, and carboxylic acids, which were previously studied by negative ion-atmospheric pressure photoionization (NI-APPI). NI-DART generated ionization products similar to NI-APPI, which led to four ionization mechanisms, including electron capture (EC), dissociative EC, proton transfer, and anion attachment. These four ionization mechanisms make both NI-DART and NI-APPI capable of ionizing a wider range of compounds than negative ion-atmospheric pressure chemical ionization (APCI) or negative ion-electrospray ionization (ESI). As the operation of NI-DART is much easier than that of NI-APPI and the gas-phase ion chemistry of NI-DART is more easily manipulated than that of NI-APPI, NI-DART can be therefore used to study in detail the ionization mechanism of LC/NI-APPI-MS, which would be a powerful methodology for the quantification of low-polarity compounds. Herein, one such application has been further demonstrated in the detection and identification of background ions from LC solvents and APPI dopants, including water, acetonitrile, chloroform, methylene chloride, methanol, 2-propanol, hexanes, heptane, cyclohexane, acetone, tetrahydrofuran (THF), 1,4-dioxane, toluene, and anisole. Possible reaction pathways leading to the formation of these background ions were further inferred. One of the conclusions from these experiments is that THF and 1,4-dioxane are inappropriate to be used as solvents and/or dopants for LC/NI-APPI-MS due to their high reactivity with source basic ions, leading to many reactant ions in the background.\n
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\n \n\n \n \n \n \n \n Elderberry flavonoids bind to and prevent H1N1 infection in vitro.\n \n \n \n\n\n \n Roschek Jr., B.; Fink, R. C.; McMichael, M. D.; Li, D.; and Alberte, R. S.\n\n\n \n\n\n\n Phytochemistry, 70(10): 1255–1262. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{roschek_jr._elderberry_2009,\n\ttitle = {Elderberry flavonoids bind to and prevent {H1N1} infection in vitro},\n\tvolume = {70},\n\tdoi = {10.1016/j.phytochem.2009.06.003},\n\tabstract = {A ionization technique in mass spectrometry called Direct Analysis in Real Time Mass Spectrometry (DART TOF-MS) coupled with a Direct Binding Assay was used to identify and characterize anti-viral components of an elderberry fruit (Sambucus nigra L.) extract without either derivatization or separation by standard chromatographic techniques. The elderberry extract inhibited Human Influenza A (H1N1) infection in vitro with an IC50 value of 252 ± 34 μg/mL. The Direct Binding Assay established that flavonoids from the elderberry extract bind to H1N1 virions and, when bound, block the ability of the viruses to infect host cells. Two compounds were identified, 5,7,3′,4′-tetra-O-methylquercetin (1) and 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chroman-3-yl-3,4,5-trihydroxycyclohexanecarboxylate (2), as H1N1-bound chemical species. Compound 1 and dihydromyricetin (3), the corresponding 3-hydroxyflavonone of 2, were synthesized and shown to inhibit H1N1 infection in vitro by binding to H1N1 virions, blocking host cell entry and/or recognition. Compound 1 gave an IC50 of 0.13 μg/mL (0.36 μM) for H1N1 infection inhibition, while dihydromyricetin (3) achieved an IC50 of 2.8 μg/mL (8.7 μM). The H1N1 inhibition activities of the elderberry flavonoids compare favorably to the known anti-influenza activities of Oseltamivir (Tamiflu®; 0.32 μM) and Amantadine (27 μM).},\n\tnumber = {10},\n\tjournal = {Phytochemistry},\n\tauthor = {Roschek Jr., Bill and Fink, Ryan C. and McMichael, Matthew D. and Li, Dan and Alberte, Randall S.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1255--1262},\n}\n\n\n\n
\n
\n\n\n
\n A ionization technique in mass spectrometry called Direct Analysis in Real Time Mass Spectrometry (DART TOF-MS) coupled with a Direct Binding Assay was used to identify and characterize anti-viral components of an elderberry fruit (Sambucus nigra L.) extract without either derivatization or separation by standard chromatographic techniques. The elderberry extract inhibited Human Influenza A (H1N1) infection in vitro with an IC50 value of 252 ± 34 μg/mL. The Direct Binding Assay established that flavonoids from the elderberry extract bind to H1N1 virions and, when bound, block the ability of the viruses to infect host cells. Two compounds were identified, 5,7,3′,4′-tetra-O-methylquercetin (1) and 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chroman-3-yl-3,4,5-trihydroxycyclohexanecarboxylate (2), as H1N1-bound chemical species. Compound 1 and dihydromyricetin (3), the corresponding 3-hydroxyflavonone of 2, were synthesized and shown to inhibit H1N1 infection in vitro by binding to H1N1 virions, blocking host cell entry and/or recognition. Compound 1 gave an IC50 of 0.13 μg/mL (0.36 μM) for H1N1 infection inhibition, while dihydromyricetin (3) achieved an IC50 of 2.8 μg/mL (8.7 μM). The H1N1 inhibition activities of the elderberry flavonoids compare favorably to the known anti-influenza activities of Oseltamivir (Tamiflu®; 0.32 μM) and Amantadine (27 μM).\n
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\n \n\n \n \n \n \n \n \n An Improved Protocol for the Analysis of Alcohols by Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Nilles, J.; and Connell, T.\n\n\n \n\n\n\n American Laboratory, 41(7): 25–27. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramae_improved_2009,\n\ttitle = {An {Improved} {Protocol} for the {Analysis} of {Alcohols} by {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {41},\n\turl = {internal-pdf://Amer_Lab_2009_41_25-27-0246735391/Amer_Lab_2009_41_25-27.pdf},\n\tnumber = {7},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D. and Nilles, J.M. and Connell, T.R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {25--27},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Direct analysis of curcumin in turmeric by DART-MS.\n \n \n \n \n\n\n \n Kim, H. J.; and Jang, Y. P.\n\n\n \n\n\n\n Phytochemical Analysis,published online. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kim_direct_2009,\n\ttitle = {Direct analysis of curcumin in turmeric by {DART}-{MS}},\n\tissn = {1099-1565},\n\turl = {internal-pdf://Phytochem_Anal_2009-1001540895/Phytochem_Anal_2009.pdf},\n\tabstract = {Introduction The new ion source technique, direct analysis in real time (DART) atmospheric pressure ionisation, allows high resolution mass measurements of gas, liquid and solid samples. As DART-MS produces [M + H]+ molecular ions of most compounds, relatively simple and clear mass spectra are obtained even of multi-component samples. In order to take advantage of the capacity of DART-MS for the real time analysis of individual compounds in natural raw materials, a pilot study was performed using the well-known antioxidant botanical drug, turmeric. Objective To establish the analysis methods of curcumin and its derivatives from various types of samples with DART-MS and compare the efficiency of the method with traditional HPLC method. Results Different curcuminoids were successfully detected directly from the raw particles of Curcuma longa. When a turmeric extract was separated on a TLC plate, each band produced molecular ion peaks corresponding to curcumin, demethoxycurcumin and bisdemethoxycurcumin. Molecular ions of curcuminoids in turmeric-containing beverages and curry powder were also efficiently detected. In addition to high efficiency of qualitative analysis, the evaluation of its linearity showed that DART-MS can be applied for semi-quantitative determinations of curcumin over a large range (5-100 µg/mL). Conclusion A simple chemical profiling and semi-quantitative method for natural products using DART-MS might be applied to diverse field related quality control of medicinal plants or food ingredients.},\n\tjournal = {Phytochemical Analysis},\n\tauthor = {Kim, Hye Jin and Jang, Young Pyo},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {published online},\n}\n\n\n\n
\n
\n\n\n
\n Introduction The new ion source technique, direct analysis in real time (DART) atmospheric pressure ionisation, allows high resolution mass measurements of gas, liquid and solid samples. As DART-MS produces [M + H]+ molecular ions of most compounds, relatively simple and clear mass spectra are obtained even of multi-component samples. In order to take advantage of the capacity of DART-MS for the real time analysis of individual compounds in natural raw materials, a pilot study was performed using the well-known antioxidant botanical drug, turmeric. Objective To establish the analysis methods of curcumin and its derivatives from various types of samples with DART-MS and compare the efficiency of the method with traditional HPLC method. Results Different curcuminoids were successfully detected directly from the raw particles of Curcuma longa. When a turmeric extract was separated on a TLC plate, each band produced molecular ion peaks corresponding to curcumin, demethoxycurcumin and bisdemethoxycurcumin. Molecular ions of curcuminoids in turmeric-containing beverages and curry powder were also efficiently detected. In addition to high efficiency of qualitative analysis, the evaluation of its linearity showed that DART-MS can be applied for semi-quantitative determinations of curcumin over a large range (5-100 µg/mL). Conclusion A simple chemical profiling and semi-quantitative method for natural products using DART-MS might be applied to diverse field related quality control of medicinal plants or food ingredients.\n
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\n \n\n \n \n \n \n \n \n Alcohols Can Now Be Analyzed by a Direct Analysis in Real-Time Method: Applications for Chemical Warfare Agent Synthesis.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Nilles, J.; and Connell, T.\n\n\n \n\n\n\n American Laboratory, 41(4): 24–27. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AlcoholsPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramae_alcohols_2009,\n\ttitle = {Alcohols {Can} {Now} {Be} {Analyzed} by a {Direct} {Analysis} in {Real}-{Time} {Method}: {Applications} for {Chemical} {Warfare} {Agent} {Synthesis}},\n\tvolume = {41},\n\turl = {internal-pdf://Amer_Lab_2009_41_24-27-3350465823/Amer_Lab_2009_41_24-27.pdf},\n\tnumber = {4},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D. and Nilles, J.M. and Connell, T.R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {24--27},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Identification of active ingredients in dietary supplements using non-destructive mass spectrometry and liquid chromatography–mass spectrometry.\n \n \n \n \n\n\n \n Saka, K.; Konuma, K.; Asai, S.; Unuma, K.; Nakajima, M.; and Yoshida, K.\n\n\n \n\n\n\n Forensic Science International, 191(1-3): e5–e10. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{saka_identification_2009,\n\ttitle = {Identification of active ingredients in dietary supplements using non-destructive mass spectrometry and liquid chromatography–mass spectrometry},\n\tvolume = {191},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073809002898},\n\tdoi = {10.1016/j.forsciint.2009.07.007},\n\tabstract = {A mid-forties woman purchased seven different dietary supplements from Thailand on the internet and subsequently died after taking these supplements. Since there were no ingredient labels on the supplements, we identified the active ingredients using direct analysis in real time–mass spectrometry (DART–MS), direct exposure probe–MS (DEP–MS), and liquid chromatography–MS (LC–MS). DART–MS gives exact molecular weights and DEP–MS shows the fragmentation of a molecule by electron ionization. Analyses using these two instruments are rapid and do not require extraction of the sample. The compounds predicted by DART–MS and DEP–MS were confirmed by LC–MS and the active ingredients of the seven dietary supplements were identified.},\n\tnumber = {1-3},\n\tjournal = {Forensic Science International},\n\tauthor = {Saka, Kanju and Konuma, Kiyotaka and Asai, Shigehiro and Unuma, Kana and Nakajima, Makoto and Yoshida, Ken-ichi},\n\tyear = {2009},\n\tkeywords = {AccuTOF, Dietary, Direct, Liquid, analysis, chromatography–mass, exposure, in, probe;, real, spectrometry;, supplements;, time;},\n\tpages = {e5--e10},\n}\n\n\n\n
\n
\n\n\n
\n A mid-forties woman purchased seven different dietary supplements from Thailand on the internet and subsequently died after taking these supplements. Since there were no ingredient labels on the supplements, we identified the active ingredients using direct analysis in real time–mass spectrometry (DART–MS), direct exposure probe–MS (DEP–MS), and liquid chromatography–MS (LC–MS). DART–MS gives exact molecular weights and DEP–MS shows the fragmentation of a molecule by electron ionization. Analyses using these two instruments are rapid and do not require extraction of the sample. The compounds predicted by DART–MS and DEP–MS were confirmed by LC–MS and the active ingredients of the seven dietary supplements were identified.\n
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\n \n\n \n \n \n \n \n \n Assessing direct analysis in real-time-mass spectrometry (DART-MS) for the rapid identification of additives in food packaging.\n \n \n \n \n\n\n \n Ackerman, L.; Noonan, G.; and Begley, T.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 26(12): 1611–1618. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AssessingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{ackerman_assessing_2009,\n\ttitle = {Assessing direct analysis in real-time-mass spectrometry ({DART}-{MS}) for the rapid identification of additives in food packaging},\n\tvolume = {26},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/02652030903232753},\n\tdoi = {10.1080/02652030903232753},\n\tabstract = {The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement. The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.},\n\tnumber = {12},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Ackerman, L.K. and Noonan, G.O. and Begley, T.H.},\n\tyear = {2009},\n\tkeywords = {Quad, Screening, Triple, Waters, additives;, assays;, food-contact, in-house, materials;, packaging, paper;, plastics;, validation;},\n\tpages = {1611--1618},\n}\n\n\n\n
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\n The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement. The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.\n
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\n \n\n \n \n \n \n \n \n Rapid and nondestructive analysis of phthalic acid esters in toys made of poly(vinyl chloride) by direct analysis in real time single-quadrupole mass spectrometry.\n \n \n \n \n\n\n \n Rothenbacher, T.; and Schwack, W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 23(17): 2829–2835. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{rothenbacher_rapid_2009,\n\ttitle = {Rapid and nondestructive analysis of phthalic acid esters in toys made of poly(vinyl chloride) by direct analysis in real time single-quadrupole mass spectrometry},\n\tvolume = {23},\n\tissn = {1097-0231},\n\turl = {internal-pdf://RCM_2009_23_2829–2835-1941599263/RCM_2009_23_2829–2835.pdf},\n\tabstract = {In the European Community, selected phthalic acid esters (PAE) are restricted in their use for the manufacture of toys and childcare articles to a content of 0.1\\% by weight. As PAE are mainly used as plasticisers for poly(vinyl chloride) (PVC), a rapid screening method for PVC samples with direct analysis in real time ionisation and single-quadrupole mass spectrometry (DART-MS) was developed. Using the ions for the protonated molecules, a limit of detection (LOD) of 0.05\\% was obtained for benzyl butyl phthalate, bis(2-ethylhexyl) phthalate and diisononyl phthalate, while for dibutyl phthalate, di-n-octyl phthalate and diisodecyl phthalate the LOD was 0.1\\%. Validation of identification by the presence of ammonium adducts and characteristic fragment ions was possible to a content of ge1\\% for all PAE, except for benzyl butyl phthalate (ge5\\%). Based on the fragment ions, bis(2-ethylhexyl) phthalate could clearly be distinguished from di-n-octyl phthalate, if the concentrations were ge5\\% and ge1\\% at measured DART helium temperatures of 130 and 310°C, respectively. The complete analysis of one sample only took about 8 min. At the generally used gas temperature of 130°C, most toy and childcare samples did not sustain damage if their shape fitted into the DART source.},\n\tnumber = {17},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Rothenbacher, Thorsten and Schwack, Wolfgang},\n\tyear = {2009},\n\tkeywords = {Agilent, Quad},\n\tpages = {2829--2835},\n}\n\n\n\n
\n
\n\n\n
\n In the European Community, selected phthalic acid esters (PAE) are restricted in their use for the manufacture of toys and childcare articles to a content of 0.1% by weight. As PAE are mainly used as plasticisers for poly(vinyl chloride) (PVC), a rapid screening method for PVC samples with direct analysis in real time ionisation and single-quadrupole mass spectrometry (DART-MS) was developed. Using the ions for the protonated molecules, a limit of detection (LOD) of 0.05% was obtained for benzyl butyl phthalate, bis(2-ethylhexyl) phthalate and diisononyl phthalate, while for dibutyl phthalate, di-n-octyl phthalate and diisodecyl phthalate the LOD was 0.1%. Validation of identification by the presence of ammonium adducts and characteristic fragment ions was possible to a content of ge1% for all PAE, except for benzyl butyl phthalate (ge5%). Based on the fragment ions, bis(2-ethylhexyl) phthalate could clearly be distinguished from di-n-octyl phthalate, if the concentrations were ge5% and ge1% at measured DART helium temperatures of 130 and 310°C, respectively. The complete analysis of one sample only took about 8 min. At the generally used gas temperature of 130°C, most toy and childcare samples did not sustain damage if their shape fitted into the DART source.\n
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\n \n\n \n \n \n \n \n \n NADP+-dependent farnesol dehydrogenase, a corpora allata enzyme involved in juvenile hormone synthesis.\n \n \n \n \n\n\n \n Mayoral, J. G.; Nouzova, M.; Navare, A.; and Noriega, F. G.\n\n\n \n\n\n\n Proceedings of the National Academy of Sciences, 106(50): 21091–21096. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"NADP+-dependentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{mayoral_nadp+-dependent_2009,\n\ttitle = {{NADP}+-dependent farnesol dehydrogenase, a corpora allata enzyme involved in juvenile hormone synthesis},\n\tvolume = {106},\n\turl = {internal-pdf://PNAS_2009_106_21091-21096-2159437855/PNAS_2009_106_21091-21096.pdf},\n\tdoi = {10.1073/pnas.0909938106},\n\tabstract = {The synthesis of juvenile hormone (JH) is an attractive target for control of insect pests and vectors of disease, but the minute size of the corpora allata (CA), the glands that synthesize JH, has made it difficult to identify important biosynthetic enzymes by classical biochemical approaches. Here, we report identification and characterization of an insect farnesol dehydrogenase (SDR-1) that oxidizes farnesol into farnesal, a precursor of JH, in the CA. SDR-1 was isolated as an EST in a library of the corpora allata-corpora cardiaca of the mosquito . The 245-amino acid protein presents the typical short-chain dehydrogenase (SDR) Rossmann-fold motif for nucleotide binding. This feature, together with other conserved sequence motifs, place SDR-1 into the “classical” NADP-dependent cP2 SDR subfamily. The gene is part of a group of highly conserved paralogs that cluster together in the mosquito genome; similar clusters of orthologs were found in other insect species. SDR-1 acts as a homodimer and efficiently oxidizes C to C isoprenoid and aliphatic alcohols, showing the highest affinity for the conversion of farnesol into farnesal. Farnesol dehydrogenase activity was not detected in the CA of newly emerged mosquitoes but significant activity was detected 24 h later. Real time PCR experiments revealed that SDR-1 mRNA levels were very low in the inactive CA of the newly emerged female, but increased {\\textbackslash}textgreater30-fold 24 h later during the peak of JH synthesis. These results suggest that oxidation of farnesol might be a rate-limiting step in JH III synthesis in adult mosquitoes.},\n\tnumber = {50},\n\tjournal = {Proceedings of the National Academy of Sciences},\n\tauthor = {Mayoral, Jaime G. and Nouzova, Marcela and Navare, Arti and Noriega, Fernando G.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {21091--21096},\n}\n\n\n\n
\n
\n\n\n
\n The synthesis of juvenile hormone (JH) is an attractive target for control of insect pests and vectors of disease, but the minute size of the corpora allata (CA), the glands that synthesize JH, has made it difficult to identify important biosynthetic enzymes by classical biochemical approaches. Here, we report identification and characterization of an insect farnesol dehydrogenase (SDR-1) that oxidizes farnesol into farnesal, a precursor of JH, in the CA. SDR-1 was isolated as an EST in a library of the corpora allata-corpora cardiaca of the mosquito . The 245-amino acid protein presents the typical short-chain dehydrogenase (SDR) Rossmann-fold motif for nucleotide binding. This feature, together with other conserved sequence motifs, place SDR-1 into the “classical” NADP-dependent cP2 SDR subfamily. The gene is part of a group of highly conserved paralogs that cluster together in the mosquito genome; similar clusters of orthologs were found in other insect species. SDR-1 acts as a homodimer and efficiently oxidizes C to C isoprenoid and aliphatic alcohols, showing the highest affinity for the conversion of farnesol into farnesal. Farnesol dehydrogenase activity was not detected in the CA of newly emerged mosquitoes but significant activity was detected 24 h later. Real time PCR experiments revealed that SDR-1 mRNA levels were very low in the inactive CA of the newly emerged female, but increased \\textgreater30-fold 24 h later during the peak of JH synthesis. These results suggest that oxidation of farnesol might be a rate-limiting step in JH III synthesis in adult mosquitoes.\n
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\n \n\n \n \n \n \n \n \n Detection of GHB in various drink matrices via AccuTOF-DART.\n \n \n \n \n\n\n \n Bennett, M. J.; and Steiner, R. R.\n\n\n \n\n\n\n Journal of Forensic Science, 54(2): 370–375. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{bennett_detection_2009,\n\ttitle = {Detection of {GHB} in various drink matrices via {AccuTOF}-{DART}},\n\tvolume = {54},\n\turl = {internal-pdf://JFS_2009_54_370-375-2880288287/JFS_2009_54_370-375.pdf},\n\tdoi = {10.1111/j.1556-4029.2008.00955.x},\n\tabstract = {A new screening method for detecting gamma-hydroxybutyric acid (GHB) in drink matrices, using the IonSense, Inc. (Saugus, MA) direct analysis in real time (DART) ion source coupled to a JEOL exact mass time-of-flight mass spectrometer (AccuTOF), was validated and compared with the current screening methodology. The DART ion source allows for analysis of samples under ambient conditions with little to no sample preparation. Fifty drink specimens were spiked at levels of 1, 2, 3, and 4 mg/mL GHB, and analyzed on the AccuTOF-DART. Positive detection of GHB occurred for each of the samples at each concentration level, giving 100\\% accuracy for the samples tested. Twenty-five of the 50 drink specimens were spiked at 1 mg/mL GHB and tested using a color test known as the GHB Color Test \\#3. Only two of these 25 specimens tested positive for the presence of GHB, giving only 8\\% accuracy. Implementation of this new methodology as a screening tool for GHB analysis will quickly eliminate negative specimens allowing the examiner to focus analysis time on those that screened positive.},\n\tnumber = {2},\n\tjournal = {Journal of Forensic Science},\n\tauthor = {Bennett, M. J. and Steiner, R. R.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {370--375},\n}\n\n\n\n
\n
\n\n\n
\n A new screening method for detecting gamma-hydroxybutyric acid (GHB) in drink matrices, using the IonSense, Inc. (Saugus, MA) direct analysis in real time (DART) ion source coupled to a JEOL exact mass time-of-flight mass spectrometer (AccuTOF), was validated and compared with the current screening methodology. The DART ion source allows for analysis of samples under ambient conditions with little to no sample preparation. Fifty drink specimens were spiked at levels of 1, 2, 3, and 4 mg/mL GHB, and analyzed on the AccuTOF-DART. Positive detection of GHB occurred for each of the samples at each concentration level, giving 100% accuracy for the samples tested. Twenty-five of the 50 drink specimens were spiked at 1 mg/mL GHB and tested using a color test known as the GHB Color Test #3. Only two of these 25 specimens tested positive for the presence of GHB, giving only 8% accuracy. Implementation of this new methodology as a screening tool for GHB analysis will quickly eliminate negative specimens allowing the examiner to focus analysis time on those that screened positive.\n
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\n \n\n \n \n \n \n \n \n Ionization Mechanism of Positive-Ion Direct Analysis in Real Time: A Transient Microenvironment Concept.\n \n \n \n \n\n\n \n Song, L.; Gibson, S. C.; Bhandari, D.; Cook, K. D.; and Bartmess, J. E.\n\n\n \n\n\n\n Analytical Chemistry, 81(24): 10080–10088. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"IonizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{song_ionization_2009,\n\ttitle = {Ionization {Mechanism} of {Positive}-{Ion} {Direct} {Analysis} in {Real} {Time}: {A} {Transient} {Microenvironment} {Concept}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\turl = {internal-pdf://Anal_Chem_2009_81_10080-10088-2176584991/Anal_Chem_2009_81_10080-10088.pdf},\n\tdoi = {10.1021/ac901122b},\n\tabstract = {A transient microenvironment mechanism (TMEM) is proposed to address matrix effects for direct analysis in real time (DART). When the DART gas stream is in contact with the sample, a transient microenvironment (TME), which can shield analytes from direct ionization, may be generated through the desorption of the matrix containing the analyte. The DART gas stream can directly ionize the matrix molecules, but the analytes will be ionized primarily through gas-phase ion/molecule reactions with the matrix ions. Experimental results showed that as little as 10 nL of liquid or 10 μg of solid was able to generate an efficient TME. Generated TMEs were able to control the ionization of an analyte below an analyte-to-matrix ratio that was dependent on the DART temperature and the boiling points of the analyte and matrix. TMEs generated by common solvents were studied in detail. The ionization of both polar and nonpolar compounds, present in a solvent or another analyte below a ratio of 1:100, were found to be mainly controlled by the generated TMEs at a DART temperature of 300 °C.},\n\tnumber = {24},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Song, Liguo and Gibson, Stephen C. and Bhandari, Deepak and Cook, Kelsey D. and Bartmess, John E.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {10080--10088},\n}\n\n\n\n
\n
\n\n\n
\n A transient microenvironment mechanism (TMEM) is proposed to address matrix effects for direct analysis in real time (DART). When the DART gas stream is in contact with the sample, a transient microenvironment (TME), which can shield analytes from direct ionization, may be generated through the desorption of the matrix containing the analyte. The DART gas stream can directly ionize the matrix molecules, but the analytes will be ionized primarily through gas-phase ion/molecule reactions with the matrix ions. Experimental results showed that as little as 10 nL of liquid or 10 μg of solid was able to generate an efficient TME. Generated TMEs were able to control the ionization of an analyte below an analyte-to-matrix ratio that was dependent on the DART temperature and the boiling points of the analyte and matrix. TMEs generated by common solvents were studied in detail. The ionization of both polar and nonpolar compounds, present in a solvent or another analyte below a ratio of 1:100, were found to be mainly controlled by the generated TMEs at a DART temperature of 300 °C.\n
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\n \n\n \n \n \n \n \n \n Rapid Semi-Quantitative Surface Mapping of Airborne-Dispersed Chemicals Using Mass Spectrometry.\n \n \n \n \n\n\n \n Grange, A.\n\n\n \n\n\n\n Environmental Forensics, 10(3): 183–195. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_rapid_2009,\n\ttitle = {Rapid {Semi}-{Quantitative} {Surface} {Mapping} of {Airborne}-{Dispersed} {Chemicals} {Using} {Mass} {Spectrometry}},\n\tvolume = {10},\n\turl = {internal-pdf://Environ_Forensics_2009_10_183-195-2276412703/Environ_Forensics_2009_10_183-195.pdf},\n\tabstract = {Chemicals can be dispersed accidentally, deliberately, or by weather-related events. Rapid mapping of contaminant distributions is necessary to assess exposure risks and to plan remediation, when needed. Ten pulverized aspirin or NoDozTM tablets containing caffeine were dispersed across a concrete driveway using the exhaust port of a shop vacuum cleaner. Water-soaked, cotton swabs were used to collect wipe samples from 100 cm2 areas within a 7 x 12 grid pattern to map the caffeine distribution. An autosampler/Direct Analysis in Real Time (DARTTM)/time-of-flight mass spectrometer was used to acquire ion chromatograms for the [M+H]+ semi-quantitation ion (m/z 195). Prior to analysis, unheated, non-energized helium gas was blown across the swabs to remove debris that could plug the cone orifice. Carry over was mitigated by interspersing wipe sample swabs with water-soaked swabs to provide hot water vapor to clean the region around the cone orifice into the mass spectrometer between sample swabs. Carry over was further reduced relative to the ion abundances from analyte peaks by acquiring data a second time. Remaining carry over was seen as ion abundance plateaus in ion chromatograms before and after each analyte peak. The higher plateau was treated as the baseline for each analyte peak by a macro procedure written in Lotus 123TM. A second macro procedure plotted multi-color, semi-quantitation maps for high, moderate, low, and non-detect levels of caffeine.},\n\tnumber = {3},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, A.H.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {183--195},\n}\n\n\n\n
\n
\n\n\n
\n Chemicals can be dispersed accidentally, deliberately, or by weather-related events. Rapid mapping of contaminant distributions is necessary to assess exposure risks and to plan remediation, when needed. Ten pulverized aspirin or NoDozTM tablets containing caffeine were dispersed across a concrete driveway using the exhaust port of a shop vacuum cleaner. Water-soaked, cotton swabs were used to collect wipe samples from 100 cm2 areas within a 7 x 12 grid pattern to map the caffeine distribution. An autosampler/Direct Analysis in Real Time (DARTTM)/time-of-flight mass spectrometer was used to acquire ion chromatograms for the [M+H]+ semi-quantitation ion (m/z 195). Prior to analysis, unheated, non-energized helium gas was blown across the swabs to remove debris that could plug the cone orifice. Carry over was mitigated by interspersing wipe sample swabs with water-soaked swabs to provide hot water vapor to clean the region around the cone orifice into the mass spectrometer between sample swabs. Carry over was further reduced relative to the ion abundances from analyte peaks by acquiring data a second time. Remaining carry over was seen as ion abundance plateaus in ion chromatograms before and after each analyte peak. The higher plateau was treated as the baseline for each analyte peak by a macro procedure written in Lotus 123TM. A second macro procedure plotted multi-color, semi-quantitation maps for high, moderate, low, and non-detect levels of caffeine.\n
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\n \n\n \n \n \n \n \n \n Elementary Guide to Ionization Methods for Mass Spectrometry− Introduction of Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Konuma, K.\n\n\n \n\n\n\n Bunseki, 9: 464–467. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"ElementaryPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{konuma_elementary_2009,\n\ttitle = {Elementary {Guide} to {Ionization} {Methods} for {Mass} {Spectrometryâˆ}’ {Introduction} of {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {9},\n\turl = {internal-pdf://Bunseki_2009_9_464-467-1035116575/Bunseki_2009_9_464-467.pdf},\n\tjournal = {Bunseki},\n\tauthor = {Konuma, K.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {464--467},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Simple and Rapid Screening for Psychotropic Natural Products Using Direct Analysis in Real Time (DART)-TOFMS.\n \n \n \n\n\n \n Kawamura, M.; Kikura-Hanajiri, R.; and Goda, Y.\n\n\n \n\n\n\n Yakugaku Zasshi, 129: 719–725. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{kawamura_simple_2009,\n\ttitle = {Simple and {Rapid} {Screening} for {Psychotropic} {Natural} {Products} {Using} {Direct} {Analysis} in {Real} {Time} ({DART})-{TOFMS}},\n\tvolume = {129},\n\tdoi = {10.1248/yakushi.129.719},\n\tabstract = {Direct Analysis in Real Time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. To investigate the trend of non-controlled psychotropic plants of abuse in Japan, a rapid screening method, without sample preparation, was developed using DART-time of flight mass spectrometer (TOFMS) for plant products. The major psychotropic constituents of these products were determined using liquid chromatography-mass spectrometry (LC/MS). As a result of the DART-TOFMS analyses of 36 products, the protonated molecular ions [M+H]+, corresponding to 6 kinds of major hallucinogenic constituents (mescaline, salvinorin A, N,N-dimethyltryptamine, harmine, harmaline and lysergamide), were detected in 21 products. It was possible to estimate their accurate elemental compositions through exact mass measurements. These results were consistent with those of the LC/MS analyses and the contents of the 6 psychotropic constituents were in the range from 0.05 to 45 μg/mg. Typical controlled narcotic drugs, tetrahydrocannabinol, opioid alkaloids and psilocin were also directly detected in marijuana cigarette, opium gum and magic mushroom respectively. Although it is difficult to estimate the matrix effects caused by other plant ingredients, the DART-TOFMS could be useful as a simple and rapid screening method for the targeted psychotropic natural products, because it provides the molecular information of the target compounds without time-consuming extraction and pre-treatment steps.},\n\tjournal = {Yakugaku Zasshi},\n\tauthor = {Kawamura, M. and Kikura-Hanajiri, R. and Goda, Y.},\n\tyear = {2009},\n\tkeywords = {DART; AccuTOF, Direct Analysis in Real Time (DART); TOFMS; LC/MS; psychotropic plants},\n\tpages = {719--725},\n}\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. To investigate the trend of non-controlled psychotropic plants of abuse in Japan, a rapid screening method, without sample preparation, was developed using DART-time of flight mass spectrometer (TOFMS) for plant products. The major psychotropic constituents of these products were determined using liquid chromatography-mass spectrometry (LC/MS). As a result of the DART-TOFMS analyses of 36 products, the protonated molecular ions [M+H]+, corresponding to 6 kinds of major hallucinogenic constituents (mescaline, salvinorin A, N,N-dimethyltryptamine, harmine, harmaline and lysergamide), were detected in 21 products. It was possible to estimate their accurate elemental compositions through exact mass measurements. These results were consistent with those of the LC/MS analyses and the contents of the 6 psychotropic constituents were in the range from 0.05 to 45 μg/mg. Typical controlled narcotic drugs, tetrahydrocannabinol, opioid alkaloids and psilocin were also directly detected in marijuana cigarette, opium gum and magic mushroom respectively. Although it is difficult to estimate the matrix effects caused by other plant ingredients, the DART-TOFMS could be useful as a simple and rapid screening method for the targeted psychotropic natural products, because it provides the molecular information of the target compounds without time-consuming extraction and pre-treatment steps.\n
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\n \n\n \n \n \n \n \n \n Validation of the Direct Analysis in Real Time Source for Use in Forensic Drug Screening.\n \n \n \n \n\n\n \n Steiner, R. R.; and Larson, R. L.\n\n\n \n\n\n\n Journal of Forensic Sciences, 54(3): 617–622. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{steiner_validation_2009,\n\ttitle = {Validation of the {Direct} {Analysis} in {Real} {Time} {Source} for {Use} in {Forensic} {Drug} {Screening}},\n\tvolume = {54},\n\tissn = {00221198, 15564029},\n\turl = {http://doi.wiley.com/10.1111/j.1556-4029.2009.01006.x},\n\tdoi = {10.1111/j.1556-4029.2009.01006.x},\n\tabstract = {The Direct Analysis in Real Time (DART) ion source is a relatively new mass spectrometry technique that is seeing widespread use in chemical analyses world-wide. DART studies include such diverse topics as analysis of flavors and fragrances, melamine in contaminated dog food, differentiation of writing inks, characterization of solid counterfeit drugs, and as a detector for planar chromatography. Validation of this new technique for the rapid screening of forensic evidence for drugs of abuse, utilizing the DART source coupled to an accurate mass time-of-flight mass spectrometer, was conducted. The study consisted of the determination of the lower limit of detection for the method, determination of selectivity and a comparison of this technique to established analytical protocols. Examples of DART spectra are included. The results of this study have allowed the Virginia Department of Forensic Science to incorporate this new technique into their analysis scheme for the screening of solid dosage forms of drugs of abuse.},\n\tnumber = {3},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Steiner, Robert R. and Larson, Robyn L.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {617--622},\n}\n\n\n\n
\n
\n\n\n
\n The Direct Analysis in Real Time (DART) ion source is a relatively new mass spectrometry technique that is seeing widespread use in chemical analyses world-wide. DART studies include such diverse topics as analysis of flavors and fragrances, melamine in contaminated dog food, differentiation of writing inks, characterization of solid counterfeit drugs, and as a detector for planar chromatography. Validation of this new technique for the rapid screening of forensic evidence for drugs of abuse, utilizing the DART source coupled to an accurate mass time-of-flight mass spectrometer, was conducted. The study consisted of the determination of the lower limit of detection for the method, determination of selectivity and a comparison of this technique to established analytical protocols. Examples of DART spectra are included. The results of this study have allowed the Virginia Department of Forensic Science to incorporate this new technique into their analysis scheme for the screening of solid dosage forms of drugs of abuse.\n
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\n \n\n \n \n \n \n \n \n Temperature-dependent release of volatile organic compounds of eucalypts by direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Maleknia, S. D.; Vail, T. M.; Cody, R. B.; Sparkman, D. O.; Bell, T. L.; and Adams, M. A.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 23(15): 2241–2246. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"Temperature-dependentPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{maleknia_temperature-dependent_2009,\n\ttitle = {Temperature-dependent release of volatile organic compounds of eucalypts by direct analysis in real time ({DART}) mass spectrometry},\n\tvolume = {23},\n\tissn = {1097-0231},\n\turl = {internal-pdf://RCM_2009_23_2241–2246-2159412511/RCM_2009_23_2241–2246.pdf},\n\tabstract = {A method is described for the rapid identification of biogenic, volatile organic compounds (VOCs) emitted by plants, including the analysis of the temperature dependence of those emissions. Direct analysis in real time (DART) enabled ionization of VOCs from stem and leaf of several eucalyptus species including E. cinerea, E. citriodora, E. nicholii and E. sideroxylon. Plant tissues were placed directly in the gap between the DART ionization source skimmer and the capillary inlet of the time-of-flight (TOF) mass spectrometer. Temperature-dependent emission of VOCs was achieved by adjusting the temperature of the helium gas into the DART ionization source at 50, 100, 200 and 300°C, which enabled direct evaporation of compounds, up to the onset of pyrolysis of plant fibres (i.e. cellulose and lignin). Accurate mass measurements facilitated by TOF mass spectrometry provided elemental compositions for the VOCs. A wide range of compounds was detected from simple organic compounds (i.e. methanol and acetone) to a series of monoterpenes (i.e. pinene, camphene, cymene, eucalyptol) common to many plant species, as well as several less abundant sesquiterpenes and flavonoids (i.e. naringenin, spathulenol, eucalyptin) with antioxidant and antimicrobial properties. The leaf and stem tissues for all four eucalypt species showed similar compounds. The relative abundances of methanol and ethanol were greater in stem wood than in leaf tissue suggesting that DART could be used to investigate the tissue-specific transport and emissions of VOCs.},\n\tnumber = {15},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Maleknia, Simin D. and Vail, Teresa M. and Cody, Robert B. and Sparkman, David O. and Bell, Tina L. and Adams, Mark A.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {2241--2246},\n}\n\n\n\n
\n
\n\n\n
\n A method is described for the rapid identification of biogenic, volatile organic compounds (VOCs) emitted by plants, including the analysis of the temperature dependence of those emissions. Direct analysis in real time (DART) enabled ionization of VOCs from stem and leaf of several eucalyptus species including E. cinerea, E. citriodora, E. nicholii and E. sideroxylon. Plant tissues were placed directly in the gap between the DART ionization source skimmer and the capillary inlet of the time-of-flight (TOF) mass spectrometer. Temperature-dependent emission of VOCs was achieved by adjusting the temperature of the helium gas into the DART ionization source at 50, 100, 200 and 300°C, which enabled direct evaporation of compounds, up to the onset of pyrolysis of plant fibres (i.e. cellulose and lignin). Accurate mass measurements facilitated by TOF mass spectrometry provided elemental compositions for the VOCs. A wide range of compounds was detected from simple organic compounds (i.e. methanol and acetone) to a series of monoterpenes (i.e. pinene, camphene, cymene, eucalyptol) common to many plant species, as well as several less abundant sesquiterpenes and flavonoids (i.e. naringenin, spathulenol, eucalyptin) with antioxidant and antimicrobial properties. The leaf and stem tissues for all four eucalypt species showed similar compounds. The relative abundances of methanol and ethanol were greater in stem wood than in leaf tissue suggesting that DART could be used to investigate the tissue-specific transport and emissions of VOCs.\n
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\n \n\n \n \n \n \n \n \n Eucalypt smoke and wildfires: Temperature dependent emissions of biogenic volatile organic compounds.\n \n \n \n \n\n\n \n Maleknia, S.; Bell, T.; and Adam, M.\n\n\n \n\n\n\n International Journal of Mass Spectrometry, 279(2-3): 126–133. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"EucalyptPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{maleknia_eucalypt_2009,\n\ttitle = {Eucalypt smoke and wildfires: {Temperature} dependent emissions of biogenic volatile organic compounds},\n\tvolume = {279},\n\turl = {internal-pdf://Int_J_Mass_Spec_2009_279_126-133-2125814815/Int_J_Mass_Spec_2009_279_126-133.pdf},\n\tabstract = {Eucalypt contributions to biogenic sources of volatile organic compounds (VOCs) in Australia are estimated at teragram (Tg = 1012 g) amounts each year. Biogenic VOCs include plant-specific isoprenoids (isoprene and a range of terpenes) and other reactive organic compounds (i.e., acids, aldehydes and ketones). Atmospheric reactions of VOCs are numerous and many have significant environmental impact. Wildfires increase both the amounts of VOCs released and the complexity of their reactions. Proton-transfer reaction mass spectrometry (PTR-MS), gas chromatography mass spectrometry (GCMS) and direct analysis in real time (DART) mass spectrometry were applied to analyze release of VOCs as a function of temperatures ranging from ambient to combustion. PTR-MS enabled trace level analysis of VOCs from a complex forest atmosphere and revealed the release of terpenes associated with leaf damage during a storm. Temperature profile studies revealed ion abundances (i.e., emissions of VOCs) could be correlated with boiling points and vapor pressures of specific compounds. PTR-MS analysis of VOCs resulting from heating fresh leaf (E. grandis) material suggested that emissions of protonated methanol (m/z 33) and protonated acetaldehyde (m/z 45) were greatest at {\\textbackslash}textasciitilde60 â—¦C while m/z 137 and 153 (associated with a series of terpenes) showed monotonic increases in ion abundance over a wide temperature range from ambient to 200 â—¦C. GCMS analysis of fresh and senescent leaves of E. grandis showed that a series of VOCs (ethylvinylketone, diethylketone, 2-ethylfuran, hexanal and hexenals) are present only in fresh leaves while several terpenes (⬚ and ⬚ pinenes, ⬚-phellandrene, eucalyptol, ⬚-terpinene) were common in both. DART analysis of fresh leaf and stem of E. sideroxylon identified tissue-specific VOCs (e.g., methanol and ethanol were more abundant in stems). PTR-MS combustion studies of senescent leaves (E. grandis) identified two distinct, temperature-dependent VOC compositions. Before the appearance of smoke, the composition of VOCs remained consistent and correlated well with various naturally occurring isoprenoids, as observed in temperature profile studies. Sampling of eucalypt smoke suggested ions (m/z 75, 85, 87, 99, 111 and 125) correlated with protonated mass of oxygenated aldehydes, ketones, furans and substituted benzenes, and were due to pyrolysis of polycarbohydrates (cellulose and lignin) that are common in many types of wood.},\n\tnumber = {2-3},\n\tjournal = {International Journal of Mass Spectrometry},\n\tauthor = {Maleknia, S.D. and Bell, T.L. and Adam, M.A.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {126--133},\n}\n\n\n\n
\n
\n\n\n
\n Eucalypt contributions to biogenic sources of volatile organic compounds (VOCs) in Australia are estimated at teragram (Tg = 1012 g) amounts each year. Biogenic VOCs include plant-specific isoprenoids (isoprene and a range of terpenes) and other reactive organic compounds (i.e., acids, aldehydes and ketones). Atmospheric reactions of VOCs are numerous and many have significant environmental impact. Wildfires increase both the amounts of VOCs released and the complexity of their reactions. Proton-transfer reaction mass spectrometry (PTR-MS), gas chromatography mass spectrometry (GCMS) and direct analysis in real time (DART) mass spectrometry were applied to analyze release of VOCs as a function of temperatures ranging from ambient to combustion. PTR-MS enabled trace level analysis of VOCs from a complex forest atmosphere and revealed the release of terpenes associated with leaf damage during a storm. Temperature profile studies revealed ion abundances (i.e., emissions of VOCs) could be correlated with boiling points and vapor pressures of specific compounds. PTR-MS analysis of VOCs resulting from heating fresh leaf (E. grandis) material suggested that emissions of protonated methanol (m/z 33) and protonated acetaldehyde (m/z 45) were greatest at \\textasciitilde60 â—¦C while m/z 137 and 153 (associated with a series of terpenes) showed monotonic increases in ion abundance over a wide temperature range from ambient to 200 â—¦C. GCMS analysis of fresh and senescent leaves of E. grandis showed that a series of VOCs (ethylvinylketone, diethylketone, 2-ethylfuran, hexanal and hexenals) are present only in fresh leaves while several terpenes (⬚ and ⬚ pinenes, ⬚-phellandrene, eucalyptol, ⬚-terpinene) were common in both. DART analysis of fresh leaf and stem of E. sideroxylon identified tissue-specific VOCs (e.g., methanol and ethanol were more abundant in stems). PTR-MS combustion studies of senescent leaves (E. grandis) identified two distinct, temperature-dependent VOC compositions. Before the appearance of smoke, the composition of VOCs remained consistent and correlated well with various naturally occurring isoprenoids, as observed in temperature profile studies. Sampling of eucalypt smoke suggested ions (m/z 75, 85, 87, 99, 111 and 125) correlated with protonated mass of oxygenated aldehydes, ketones, furans and substituted benzenes, and were due to pyrolysis of polycarbohydrates (cellulose and lignin) that are common in many types of wood.\n
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\n \n\n \n \n \n \n \n \n \"Soft\" or \"hard\" ionisation? Investigation of metastable gas temperature effect on direct analysis in real-time analysis of Voriconazole.\n \n \n \n \n\n\n \n Lapthorn, C.; and Pullen, F.\n\n\n \n\n\n\n European Journal of Mass Spectrometry, 15(5): 587–593. 2009.\n \n\n\n\n
\n\n\n\n \n \n \""Soft"Paper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{lapthorn_soft_2009,\n\ttitle = {"{Soft}" or "hard" ionisation? {Investigation} of metastable gas temperature effect on direct analysis in real-time analysis of {Voriconazole}},\n\tvolume = {15},\n\tissn = {1469-0667},\n\turl = {internal-pdf://Euro_J_Mass_Spec_2009_15_587–593-3551724575/Euro_J_Mass_Spec_2009_15_587–593.pdf},\n\tdoi = {10.1255/ejms.1022},\n\tabstract = {The performance of the direct analysis in real-time (DART) technique was evaluated across a range of metastable gas temperatures for a pharmaceutical compound, Voriconazole, in order to investigate the effect of metastable gas temperature on molecular ion intensity and fragmentation. The DART source has been used to analyse a range of analytes and from a range of matrices including drugs in solid tablet form and preparations, active ingredients in ointment, naturally occurring plant alkaloids, flavours and fragrances, from thin layer chromatography (TLC) plates, melting point tubes and biological matrices including hair, urine and blood. The advantages of this technique include rapid analysis time (as little as 5 s), a reduction in sample preparation requirements, elimination of mobile phase requirement and analysis of samples not typically amenable to atmospheric pressure ionisation (API) techniques. This technology has therefore been proposed as an everyday tool for identification of components in crude organic reaction mixtures.},\n\tnumber = {5},\n\tjournal = {European Journal of Mass Spectrometry},\n\tauthor = {Lapthorn, Cris and Pullen, Frank},\n\tyear = {2009},\n\tkeywords = {Quad, Waters},\n\tpages = {587--593},\n}\n\n\n\n
\n
\n\n\n
\n The performance of the direct analysis in real-time (DART) technique was evaluated across a range of metastable gas temperatures for a pharmaceutical compound, Voriconazole, in order to investigate the effect of metastable gas temperature on molecular ion intensity and fragmentation. The DART source has been used to analyse a range of analytes and from a range of matrices including drugs in solid tablet form and preparations, active ingredients in ointment, naturally occurring plant alkaloids, flavours and fragrances, from thin layer chromatography (TLC) plates, melting point tubes and biological matrices including hair, urine and blood. The advantages of this technique include rapid analysis time (as little as 5 s), a reduction in sample preparation requirements, elimination of mobile phase requirement and analysis of samples not typically amenable to atmospheric pressure ionisation (API) techniques. This technology has therefore been proposed as an everyday tool for identification of components in crude organic reaction mixtures.\n
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\n \n\n \n \n \n \n \n \n Simulations and Experimental Investigation of Atmospheric Transport in an Ambient Metastable-Induced Chemical Ionization Source.\n \n \n \n \n\n\n \n Harris, G. A.; and Fernandez, F. M.\n\n\n \n\n\n\n Analytical Chemistry, 81(1): 322–329. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"SimulationsPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{harris_simulations_2009,\n\ttitle = {Simulations and {Experimental} {Investigation} of {Atmospheric} {Transport} in an {Ambient} {Metastable}-{Induced} {Chemical} {Ionization} {Source}},\n\tvolume = {81},\n\turl = {internal-pdf://Anal_Chem_2009_81_322-329-4205903647/Anal_Chem_2009_81_322-329.pdf},\n\tdoi = {10.1021/ac802117u},\n\tabstract = {Since its inception, Direct Analysis in Real Time (DART) has seen utility in a wide range of applications including chemical reaction monitoring, pharmaceutical screening, and forensic mass spectrometry. Despite the growing interest in DART applications, there has been limited research into the fundamental physiochemical phenomena affecting sampling, ionization, and atmospheric ion transport. Presented here are the first experimentally validated finite element method simulations of an ambient DART-type metastable-induced chemical ionization source. It was found that complex coupled fluid dynamics, heat transfer, and electrostatic phenomena within the sampling region determine the variability in ion transmission efficiencies affecting the overall sensitivity of analysis. Particle tracing plots of a circular acetaminophen tablet placed in various positions and orientations yielded insight into optimal sample placement and evidence for sweet spots conducive to better ion transport. Experiments in a wide range of electric field conditions were performed, finding that under optimum sample placement, sensitivity could be improved by as much as 128\\% if ion mobility contributions were minimized.},\n\tnumber = {1},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Harris, Glenn A. and Fernandez, Facundo M.},\n\tyear = {2009},\n\tkeywords = {simulation},\n\tpages = {322--329},\n}\n\n\n\n
\n
\n\n\n
\n Since its inception, Direct Analysis in Real Time (DART) has seen utility in a wide range of applications including chemical reaction monitoring, pharmaceutical screening, and forensic mass spectrometry. Despite the growing interest in DART applications, there has been limited research into the fundamental physiochemical phenomena affecting sampling, ionization, and atmospheric ion transport. Presented here are the first experimentally validated finite element method simulations of an ambient DART-type metastable-induced chemical ionization source. It was found that complex coupled fluid dynamics, heat transfer, and electrostatic phenomena within the sampling region determine the variability in ion transmission efficiencies affecting the overall sensitivity of analysis. Particle tracing plots of a circular acetaminophen tablet placed in various positions and orientations yielded insight into optimal sample placement and evidence for sweet spots conducive to better ion transport. Experiments in a wide range of electric field conditions were performed, finding that under optimum sample placement, sensitivity could be improved by as much as 128% if ion mobility contributions were minimized.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Combining Two-Dimensional Diffusion-Ordered Nuclear Magnetic Resonance Spectroscopy, Imaging Desorption Electrospray Ionization Mass Spectrometry, and Direct Analysis in Real-Time Mass Spectrometry for the Integral Investigation of Counterfeit Pharmaceuticals.\n \n \n \n \n\n\n \n Nyadong, L.; Harris, G. A.; Balayssac, S.; Galhena, A. S.; Malet-Martino, M.; Martino, R.; Parry, R. M.; Wang, M. D.; Fernández, F. M.; and Gilard, V.\n\n\n \n\n\n\n Analytical Chemistry, 81(12): 4803–4812. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"CombiningPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nyadong_combining_2009,\n\ttitle = {Combining {Two}-{Dimensional} {Diffusion}-{Ordered} {Nuclear} {Magnetic} {Resonance} {Spectroscopy}, {Imaging} {Desorption} {Electrospray} {Ionization} {Mass} {Spectrometry}, and {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry} for the {Integral} {Investigation} of {Counterfeit} {Pharmaceuticals}},\n\tvolume = {81},\n\tissn = {0003-2700},\n\turl = {internal-pdf://Anal_Chem_2009_81_4803–4812-0532166687/Anal_Chem_2009_81_4803–4812.pdf},\n\tabstract = {During the past decade, there has been a marked increase in the number of reported cases involving counterfeit medicines in developing and developed countries. Particularly, artesunate-based antimalarial drugs have been targeted, because of their high demand and cost. Counterfeit antimalarials can cause death and can contribute to the growing problem of drug resistance, particularly in southeast Asia. In this study, the complementarity of two-dimensional diffusion-ordered 1H nuclear magnetic resonance spectroscopy (2D DOSY 1H NMR) with direct analysis in real-time mass spectrometry (DART MS) and desorption electrospray ionization mass spectrometry (DESI MS) was assessed for pharmaceutical forensic purposes. Fourteen different artesunate tablets, representative of what can be purchased from informal sources in southeast Asia, were investigated with these techniques. The expected active pharmaceutical ingredient was detected in only five formulations via both nuclear magnetic resonance (NMR) and mass spectrometry (MS) methods. Common organic excipients such as sucrose, lactose, stearate, dextrin, and starch were also detected. The graphical representation of DOSY 1H NMR results proved very useful for establishing similarities among groups of samples, enabling counterfeit drug “chemotyping”. In addition to bulk- and surface-average analyses, spatially resolved information on the surface composition of counterfeit and genuine antimalarial formulations was obtained using DESI MS that was performed in the imaging mode, which enabled one to visualize the homogeneity of both genuine and counterfeit drug samples. Overall, this study suggests that 2D DOSY 1H NMR, combined with ambient MS, comprises a powerful suite of instrumental analysis methodologies for the integral characterization of counterfeit antimalarials.},\n\tnumber = {12},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nyadong, Leonard and Harris, Glenn A. and Balayssac, Stephane and Galhena, Asiri S. and Malet-Martino, Myriam and Martino, Robert and Parry, R. Mitchell and Wang, May Dongmei and Fernández, Facundo M. and Gilard, Veronique},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {4803--4812},\n}\n\n\n\n
\n
\n\n\n
\n During the past decade, there has been a marked increase in the number of reported cases involving counterfeit medicines in developing and developed countries. Particularly, artesunate-based antimalarial drugs have been targeted, because of their high demand and cost. Counterfeit antimalarials can cause death and can contribute to the growing problem of drug resistance, particularly in southeast Asia. In this study, the complementarity of two-dimensional diffusion-ordered 1H nuclear magnetic resonance spectroscopy (2D DOSY 1H NMR) with direct analysis in real-time mass spectrometry (DART MS) and desorption electrospray ionization mass spectrometry (DESI MS) was assessed for pharmaceutical forensic purposes. Fourteen different artesunate tablets, representative of what can be purchased from informal sources in southeast Asia, were investigated with these techniques. The expected active pharmaceutical ingredient was detected in only five formulations via both nuclear magnetic resonance (NMR) and mass spectrometry (MS) methods. Common organic excipients such as sucrose, lactose, stearate, dextrin, and starch were also detected. The graphical representation of DOSY 1H NMR results proved very useful for establishing similarities among groups of samples, enabling counterfeit drug “chemotyping”. In addition to bulk- and surface-average analyses, spatially resolved information on the surface composition of counterfeit and genuine antimalarial formulations was obtained using DESI MS that was performed in the imaging mode, which enabled one to visualize the homogeneity of both genuine and counterfeit drug samples. Overall, this study suggests that 2D DOSY 1H NMR, combined with ambient MS, comprises a powerful suite of instrumental analysis methodologies for the integral characterization of counterfeit antimalarials.\n
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\n \n\n \n \n \n \n \n \n Quantitation of Chemical Warfare Agents Using the Direct Analysis in Real Time (DART) Technique.\n \n \n \n \n\n\n \n Nilles, J. M.; Connell, T. R.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 81(16): 6744–6749. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nilles_quantitation_2009,\n\ttitle = {Quantitation of {Chemical} {Warfare} {Agents} {Using} the {Direct} {Analysis} in {Real} {Time} ({DART}) {Technique}},\n\tvolume = {81},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac900682f},\n\tdoi = {10.1021/ac900682f},\n\tabstract = {Direct analysis in real time (DART) is an ion source that permits rapid mass spectrometric detection of gases, liquids, and solids in open air under ambient conditions. It is a unique technology in the field of chemical weapons detectors in that it does not require a vapor pressure, does not require sample preparation, and is nondestructive to the original sample. While the DART technique has had success as a first line instrument of detection, there have been lingering doubts over the technique’s quantitative reliability and reproducibility. Here, we demonstrate its capability to produce linear calibration curves (R2 = 0.99 or better) for the nerve agents GA, GB, and VX as well as the blister agent HD. Independently prepared check standards measured against these curves typically have recovery errors less than 3\\%. We show the DART instrument response to be linear over roughly 3 orders of magnitude. Furthermore, this study shows that averaging as few as three measurements for each data point is sufficient to produce high quality calibration curves, thus reducing data collection time and providing quicker results.},\n\tnumber = {16},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nilles, J. Michael and Connell, Theresa R. and Durst, H. Dupont},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {6744--6749},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is an ion source that permits rapid mass spectrometric detection of gases, liquids, and solids in open air under ambient conditions. It is a unique technology in the field of chemical weapons detectors in that it does not require a vapor pressure, does not require sample preparation, and is nondestructive to the original sample. While the DART technique has had success as a first line instrument of detection, there have been lingering doubts over the technique’s quantitative reliability and reproducibility. Here, we demonstrate its capability to produce linear calibration curves (R2 = 0.99 or better) for the nerve agents GA, GB, and VX as well as the blister agent HD. Independently prepared check standards measured against these curves typically have recovery errors less than 3%. We show the DART instrument response to be linear over roughly 3 orders of magnitude. Furthermore, this study shows that averaging as few as three measurements for each data point is sufficient to produce high quality calibration curves, thus reducing data collection time and providing quicker results.\n
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\n\n\n
\n \n\n \n \n \n \n \n \n Determination of the Presence or Absence of Sulfur Materials in Drywall Using Direct Analysis in Real Time in Conjunction with an Accurate-Mass Time-of-Flight Mass Spectrometer.\n \n \n \n \n\n\n \n Curtis, M. E.; Jones, P. R.; Sparkman, O. D.; and Cody, R. B.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 20(11): 2082–2086. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{curtis_determination_2009,\n\ttitle = {Determination of the {Presence} or {Absence} of {Sulfur} {Materials} in {Drywall} {Using} {Direct} {Analysis} in {Real} {Time} in {Conjunction} with an {Accurate}-{Mass} {Time}-of-{Flight} {Mass} {Spectrometer}},\n\tvolume = {20},\n\tissn = {1044-0305},\n\turl = {internal-pdf://JASMS_2009_20_2082-2086-3551459871/JASMS_2009_20_2082-2086.pdf},\n\tabstract = {Based on the concern about the presence of sulfur materials being in drywall (wallboard), a quick and reliable test to confirm the presence or absence of these materials using direct analysis in real time (DART) mass spectrometry in conjunction with an accurate-mass time-of-flight (TOF) mass spectrometer has been developed and is described here.},\n\tnumber = {11},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Curtis, Matthew E. and Jones, Patrick R. and Sparkman, O. David and Cody, Robert B.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {2082--2086},\n}\n\n\n\n
\n
\n\n\n
\n Based on the concern about the presence of sulfur materials being in drywall (wallboard), a quick and reliable test to confirm the presence or absence of these materials using direct analysis in real time (DART) mass spectrometry in conjunction with an accurate-mass time-of-flight (TOF) mass spectrometer has been developed and is described here.\n
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\n \n\n \n \n \n \n \n \n Pro-Inflammatory Enzymes, Cyclooxygenase 1, Cyclooxygenase 2, and 5-Lipooxygenase, Inhibited by Stabilized Rice Bran Extracts.\n \n \n \n \n\n\n \n Roschek Jr., B.; Fink, R. C.; Li, D.; McMichael, M.; Tower, C. M.; Smith, R. D.; and Alberte, R. S.\n\n\n \n\n\n\n Journal of Medicinal Food, 12(3): 615–623. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"Pro-InflammatoryPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{roschek_jr._pro-inflammatory_2009,\n\ttitle = {Pro-{Inflammatory} {Enzymes}, {Cyclooxygenase} 1, {Cyclooxygenase} 2, and 5-{Lipooxygenase}, {Inhibited} by {Stabilized} {Rice} {Bran} {Extracts}},\n\tvolume = {12},\n\turl = {internal-pdf://J_Med_Food_2009_12_ 615–623-1622738975/J_Med_Food_2009_12_ 615–623.pdf},\n\tdoi = {10.1089=jmf.2008.0133},\n\tabstract = {Rice bran, the outer bran and germ of the kernel and a by-product of rice milling, is rich in phytonutrients but has been underutilized because of lipid content instability. New methods for the processing of rice bran have yielded a stabilized form that is increasingly used in foods and dietary supplements. Recent studies have documented a role for stabilized rice bran (SRB) in treating diabetes and arthritis, although little is known of the bioactive compounds that impart these health benefits. Here we characterize the chemical composition of three extracts of SRB and identify the functional bioactives contributing to the inhibitory properties against three key pro-inflammatory enzymes (cyclooxygenase [COX] 1, COX2, and 5-lipoxygenase [5-LOX]) that control the inflammatory cascade involved in impaired joint health, pain, and arthritis. One extract (SRB-AI) demonstrated significant COX1 and COX2 inhibitory activities with 50\\% inhibitory concentration (IC50) values for COX1 and COX2 of 305 and 29 mg=mL, respectively, but no 5-LOX inhibition. The second extract (SRB-AII) inhibited COX1, COX2, and 5-LOX with IC50 values of 310, 19, and 396 mg=mL, respectively. The third extract (SRB-AIII), a blend of SRB-AI and SRB-AIII, inhibited COX1, COX2, and 5-LOX with respective IC50 values of 48, 11, and 197 mg=mL. Analysis of the extracts by direct analysis in real time time of flight-mass spectrometry revealed that SRB-AI, SRB-AII, and SRB-AIII contain over 620, 770, and 810 compounds, respectively. Of these, 17 were identified as key bioactives for COX and=or LOX inhibition. These SRB extracts have applications for functional foods and dietary supplements for control of inflammation and joint health.},\n\tnumber = {3},\n\tjournal = {Journal of Medicinal Food},\n\tauthor = {Roschek Jr., Bill and Fink, Ryan C. and Li, Dan and McMichael, Matthew and Tower, Christine M. and Smith, Robert D. and Alberte, Randall S.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {615–623},\n}\n\n\n\n
\n
\n\n\n
\n Rice bran, the outer bran and germ of the kernel and a by-product of rice milling, is rich in phytonutrients but has been underutilized because of lipid content instability. New methods for the processing of rice bran have yielded a stabilized form that is increasingly used in foods and dietary supplements. Recent studies have documented a role for stabilized rice bran (SRB) in treating diabetes and arthritis, although little is known of the bioactive compounds that impart these health benefits. Here we characterize the chemical composition of three extracts of SRB and identify the functional bioactives contributing to the inhibitory properties against three key pro-inflammatory enzymes (cyclooxygenase [COX] 1, COX2, and 5-lipoxygenase [5-LOX]) that control the inflammatory cascade involved in impaired joint health, pain, and arthritis. One extract (SRB-AI) demonstrated significant COX1 and COX2 inhibitory activities with 50% inhibitory concentration (IC50) values for COX1 and COX2 of 305 and 29 mg=mL, respectively, but no 5-LOX inhibition. The second extract (SRB-AII) inhibited COX1, COX2, and 5-LOX with IC50 values of 310, 19, and 396 mg=mL, respectively. The third extract (SRB-AIII), a blend of SRB-AI and SRB-AIII, inhibited COX1, COX2, and 5-LOX with respective IC50 values of 48, 11, and 197 mg=mL. Analysis of the extracts by direct analysis in real time time of flight-mass spectrometry revealed that SRB-AI, SRB-AII, and SRB-AIII contain over 620, 770, and 810 compounds, respectively. Of these, 17 were identified as key bioactives for COX and=or LOX inhibition. These SRB extracts have applications for functional foods and dietary supplements for control of inflammation and joint health.\n
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\n \n\n \n \n \n \n \n \n Bioanalysis without Sample Cleanup or Chromatography: The Evaluation and Initial Implementation of Direct Analysis in Real Time Ionization Mass Spectrometry for the Quantification of Drugs in Biological Matrixes.\n \n \n \n \n\n\n \n Yu, S.; Crawford, E.; Tice, J.; Musselman, B.; and Wu, J.\n\n\n \n\n\n\n Analytical Chemistry, 81(1): 193–202. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"BioanalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{yu_bioanalysis_2009,\n\ttitle = {Bioanalysis without {Sample} {Cleanup} or {Chromatography}: {The} {Evaluation} and {Initial} {Implementation} of {Direct} {Analysis} in {Real} {Time} {Ionization} {Mass} {Spectrometry} for the {Quantification} of {Drugs} in {Biological} {Matrixes}},\n\tvolume = {81},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Bioanalysis without {Sample} {Cleanup} or {Chromatography}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac801734t},\n\tdoi = {10.1021/ac801734t},\n\tabstract = {Two key bottlenecks in pharmaceutical bioanalysis are sample cleanup and chromatographic separations. Although multiple approaches have been developed in the past decade to either shorten or multiplex these steps, they remain the rate limiting steps as ADME (Absorption, Distribution, Metabolism, and Excretion) property screening is being routinely incorporated into the drug discovery process. In this work, a novel system incorporating an automated Direct Analysis in Real Time (DART) ionization source coupled with a triple-quadrupole mass spectrometer has been developed and evaluated for quantitative bioanalysis. This system has the capability of directly analyzing samples from their biological matrixes and therefore potentially eliminating the need for sample cleanup and chromatographic separations. A LEAP Technologies autosampler was customized to perform the automated sample introduction into the DART beam with high precision, which significantly improved the reproducibility of the method. Additional pumping was applied to the atmospheric pressure inlet on the mass spectrometer to compensate for the increased vacuum load because of the use of high-flow helium by the DART. This resulted in an improvement of detection sensitivity by a factor of 10 to 100 times. Matrix effects for a diversified class of compounds were evaluated directly from untreated raw plasma and were found to range from approximately 0.05 to 0.7. Precision and accuracy were also tested for multiple test compounds over a dynamic range of four orders of magnitude. The system has been used to analyze biological samples from both in vivo pharmacokinetic studies and in vitro microsomal/S9 stability studies, and the results generated were similar to those obtained with conventional LC/MS/MS methods. Overall, this new automated DART-triple quadrupole mass spectrometer system has demonstrated significant potential for high-throughput bioanalysis.},\n\tnumber = {1},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Yu, Shaoxia and Crawford, Elizabeth and Tice, Joe and Musselman, Brian and Wu, Jing-Tao},\n\tyear = {2009},\n\tkeywords = {Applied, Biosystems, Quad, Triple},\n\tpages = {193--202},\n}\n\n\n\n
\n
\n\n\n
\n Two key bottlenecks in pharmaceutical bioanalysis are sample cleanup and chromatographic separations. Although multiple approaches have been developed in the past decade to either shorten or multiplex these steps, they remain the rate limiting steps as ADME (Absorption, Distribution, Metabolism, and Excretion) property screening is being routinely incorporated into the drug discovery process. In this work, a novel system incorporating an automated Direct Analysis in Real Time (DART) ionization source coupled with a triple-quadrupole mass spectrometer has been developed and evaluated for quantitative bioanalysis. This system has the capability of directly analyzing samples from their biological matrixes and therefore potentially eliminating the need for sample cleanup and chromatographic separations. A LEAP Technologies autosampler was customized to perform the automated sample introduction into the DART beam with high precision, which significantly improved the reproducibility of the method. Additional pumping was applied to the atmospheric pressure inlet on the mass spectrometer to compensate for the increased vacuum load because of the use of high-flow helium by the DART. This resulted in an improvement of detection sensitivity by a factor of 10 to 100 times. Matrix effects for a diversified class of compounds were evaluated directly from untreated raw plasma and were found to range from approximately 0.05 to 0.7. Precision and accuracy were also tested for multiple test compounds over a dynamic range of four orders of magnitude. The system has been used to analyze biological samples from both in vivo pharmacokinetic studies and in vitro microsomal/S9 stability studies, and the results generated were similar to those obtained with conventional LC/MS/MS methods. Overall, this new automated DART-triple quadrupole mass spectrometer system has demonstrated significant potential for high-throughput bioanalysis.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Bioanalysis without Sample Cleanup or Chromatography: The Evaluation and Initial Implementation of Direct Analysis in Real Time Ionization Mass Spectrometry for the Quantification of Drugs in Biological Matrixes.\n \n \n \n \n\n\n \n Yu, S.; Crawford, E.; Tice, J.; Musselman, B.; and Wu, J.\n\n\n \n\n\n\n Analytical Chemistry, 81(1): 193–202. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"BioanalysisPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{yu_bioanalysis_2009,\n\ttitle = {Bioanalysis without {Sample} {Cleanup} or {Chromatography}: {The} {Evaluation} and {Initial} {Implementation} of {Direct} {Analysis} in {Real} {Time} {Ionization} {Mass} {Spectrometry} for the {Quantification} of {Drugs} in {Biological} {Matrixes}},\n\tvolume = {81},\n\tissn = {0003-2700, 1520-6882},\n\tshorttitle = {Bioanalysis without {Sample} {Cleanup} or {Chromatography}},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac801734t},\n\tdoi = {10.1021/ac801734t},\n\tabstract = {Two key bottlenecks in pharmaceutical bioanalysis are sample cleanup and chromatographic separations. Although multiple approaches have been developed in the past decade to either shorten or multiplex these steps, they remain the rate limiting steps as ADME (Absorption, Distribution, Metabolism, and Excretion) property screening is being routinely incorporated into the drug discovery process. In this work, a novel system incorporating an automated Direct Analysis in Real Time (DART) ionization source coupled with a triple-quadrupole mass spectrometer has been developed and evaluated for quantitative bioanalysis. This system has the capability of directly analyzing samples from their biological matrixes and therefore potentially eliminating the need for sample cleanup and chromatographic separations. A LEAP Technologies autosampler was customized to perform the automated sample introduction into the DART beam with high precision, which significantly improved the reproducibility of the method. Additional pumping was applied to the atmospheric pressure inlet on the mass spectrometer to compensate for the increased vacuum load because of the use of high-flow helium by the DART. This resulted in an improvement of detection sensitivity by a factor of 10 to 100 times. Matrix effects for a diversified class of compounds were evaluated directly from untreated raw plasma and were found to range from approximately 0.05 to 0.7. Precision and accuracy were also tested for multiple test compounds over a dynamic range of four orders of magnitude. The system has been used to analyze biological samples from both in vivo pharmacokinetic studies and in vitro microsomal/S9 stability studies, and the results generated were similar to those obtained with conventional LC/MS/MS methods. Overall, this new automated DART-triple quadrupole mass spectrometer system has demonstrated significant potential for high-throughput bioanalysis.},\n\tnumber = {1},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Yu, Shaoxia and Crawford, Elizabeth and Tice, Joe and Musselman, Brian and Wu, Jing-Tao},\n\tyear = {2009},\n\tkeywords = {Applied Biosystems Triple Quad},\n\tpages = {193--202},\n}\n\n\n\n
\n
\n\n\n
\n Two key bottlenecks in pharmaceutical bioanalysis are sample cleanup and chromatographic separations. Although multiple approaches have been developed in the past decade to either shorten or multiplex these steps, they remain the rate limiting steps as ADME (Absorption, Distribution, Metabolism, and Excretion) property screening is being routinely incorporated into the drug discovery process. In this work, a novel system incorporating an automated Direct Analysis in Real Time (DART) ionization source coupled with a triple-quadrupole mass spectrometer has been developed and evaluated for quantitative bioanalysis. This system has the capability of directly analyzing samples from their biological matrixes and therefore potentially eliminating the need for sample cleanup and chromatographic separations. A LEAP Technologies autosampler was customized to perform the automated sample introduction into the DART beam with high precision, which significantly improved the reproducibility of the method. Additional pumping was applied to the atmospheric pressure inlet on the mass spectrometer to compensate for the increased vacuum load because of the use of high-flow helium by the DART. This resulted in an improvement of detection sensitivity by a factor of 10 to 100 times. Matrix effects for a diversified class of compounds were evaluated directly from untreated raw plasma and were found to range from approximately 0.05 to 0.7. Precision and accuracy were also tested for multiple test compounds over a dynamic range of four orders of magnitude. The system has been used to analyze biological samples from both in vivo pharmacokinetic studies and in vitro microsomal/S9 stability studies, and the results generated were similar to those obtained with conventional LC/MS/MS methods. Overall, this new automated DART-triple quadrupole mass spectrometer system has demonstrated significant potential for high-throughput bioanalysis.\n
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\n \n\n \n \n \n \n \n \n Validation of the Direct Analysis in Real Time Source for Use in Forensic Drug Screening.\n \n \n \n \n\n\n \n Steiner, R. R.; and Larson, R. L.\n\n\n \n\n\n\n Journal of Forensic Sciences, 54(3): 617–622. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"ValidationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{steiner_validation_2009,\n\ttitle = {Validation of the {Direct} {Analysis} in {Real} {Time} {Source} for {Use} in {Forensic} {Drug} {Screening}},\n\tvolume = {54},\n\tissn = {00221198, 15564029},\n\turl = {http://doi.wiley.com/10.1111/j.1556-4029.2009.01006.x},\n\tdoi = {10.1111/j.1556-4029.2009.01006.x},\n\tabstract = {The Direct Analysis in Real Time (DART) ion source is a relatively new mass spectrometry technique that is seeing widespread use in chemical analyses world-wide. DART studies include such diverse topics as analysis of flavors and fragrances, melamine in contaminated dog food, differentiation of writing inks, characterization of solid counterfeit drugs, and as a detector for planar chromatography. Validation of this new technique for the rapid screening of forensic evidence for drugs of abuse, utilizing the DART source coupled to an accurate mass time-of-flight mass spectrometer, was conducted. The study consisted of the determination of the lower limit of detection for the method, determination of selectivity and a comparison of this technique to established analytical protocols. Examples of DART spectra are included. The results of this study have allowed the Virginia Department of Forensic Science to incorporate this new technique into their analysis scheme for the screening of solid dosage forms of drugs of abuse.},\n\tnumber = {3},\n\turldate = {2012-04-18},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Steiner, Robert R. and Larson, Robyn L.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {617--622},\n}\n\n\n\n
\n
\n\n\n
\n The Direct Analysis in Real Time (DART) ion source is a relatively new mass spectrometry technique that is seeing widespread use in chemical analyses world-wide. DART studies include such diverse topics as analysis of flavors and fragrances, melamine in contaminated dog food, differentiation of writing inks, characterization of solid counterfeit drugs, and as a detector for planar chromatography. Validation of this new technique for the rapid screening of forensic evidence for drugs of abuse, utilizing the DART source coupled to an accurate mass time-of-flight mass spectrometer, was conducted. The study consisted of the determination of the lower limit of detection for the method, determination of selectivity and a comparison of this technique to established analytical protocols. Examples of DART spectra are included. The results of this study have allowed the Virginia Department of Forensic Science to incorporate this new technique into their analysis scheme for the screening of solid dosage forms of drugs of abuse.\n
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\n \n\n \n \n \n \n \n \n Quantitation of Chemical Warfare Agents Using the Direct Analysis in Real Time (DART) Technique.\n \n \n \n \n\n\n \n Nilles, J. M.; Connell, T. R.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 81(16): 6744–6749. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"QuantitationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{nilles_quantitation_2009,\n\ttitle = {Quantitation of {Chemical} {Warfare} {Agents} {Using} the {Direct} {Analysis} in {Real} {Time} ({DART}) {Technique}},\n\tvolume = {81},\n\tissn = {0003-2700, 1520-6882},\n\turl = {http://pubs.acs.org/doi/abs/10.1021/ac900682f},\n\tdoi = {10.1021/ac900682f},\n\tabstract = {Direct analysis in real time (DART) is an ion source that permits rapid mass spectrometric detection of gases, liquids, and solids in open air under ambient conditions. It is a unique technology in the field of chemical weapons detectors in that it does not require a vapor pressure, does not require sample preparation, and is nondestructive to the original sample. While the DART technique has had success as a first line instrument of detection, there have been lingering doubts over the technique’s quantitative reliability and reproducibility. Here, we demonstrate its capability to produce linear calibration curves (R2 = 0.99 or better) for the nerve agents GA, GB, and VX as well as the blister agent HD. Independently prepared check standards measured against these curves typically have recovery errors less than 3\\%. We show the DART instrument response to be linear over roughly 3 orders of magnitude. Furthermore, this study shows that averaging as few as three measurements for each data point is sufficient to produce high quality calibration curves, thus reducing data collection time and providing quicker results.},\n\tnumber = {16},\n\turldate = {2012-04-18},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Nilles, J. Michael and Connell, Theresa R. and Durst, H. Dupont},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {6744--6749},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is an ion source that permits rapid mass spectrometric detection of gases, liquids, and solids in open air under ambient conditions. It is a unique technology in the field of chemical weapons detectors in that it does not require a vapor pressure, does not require sample preparation, and is nondestructive to the original sample. While the DART technique has had success as a first line instrument of detection, there have been lingering doubts over the technique’s quantitative reliability and reproducibility. Here, we demonstrate its capability to produce linear calibration curves (R2 = 0.99 or better) for the nerve agents GA, GB, and VX as well as the blister agent HD. Independently prepared check standards measured against these curves typically have recovery errors less than 3%. We show the DART instrument response to be linear over roughly 3 orders of magnitude. Furthermore, this study shows that averaging as few as three measurements for each data point is sufficient to produce high quality calibration curves, thus reducing data collection time and providing quicker results.\n
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\n \n\n \n \n \n \n \n \n Identification of active ingredients in dietary supplements using non-destructive mass spectrometry and liquid chromatography–mass spectrometry.\n \n \n \n \n\n\n \n Saka, K.; Konuma, K.; Asai, S.; Unuma, K.; Nakajima, M.; and Yoshida, K.\n\n\n \n\n\n\n Forensic Science International, 191(1-3): e5–e10. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"IdentificationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{saka_identification_2009,\n\ttitle = {Identification of active ingredients in dietary supplements using non-destructive mass spectrometry and liquid chromatography–mass spectrometry},\n\tvolume = {191},\n\tissn = {03790738},\n\turl = {http://linkinghub.elsevier.com/retrieve/pii/S0379073809002898},\n\tdoi = {10.1016/j.forsciint.2009.07.007},\n\tabstract = {A mid-forties woman purchased seven different dietary supplements from Thailand on the internet and subsequently died after taking these supplements. Since there were no ingredient labels on the supplements, we identified the active ingredients using direct analysis in real time–mass spectrometry (DART–MS), direct exposure probe–MS (DEP–MS), and liquid chromatography–MS (LC–MS). DART–MS gives exact molecular weights and DEP–MS shows the fragmentation of a molecule by electron ionization. Analyses using these two instruments are rapid and do not require extraction of the sample. The compounds predicted by DART–MS and DEP–MS were confirmed by LC–MS and the active ingredients of the seven dietary supplements were identified.},\n\tnumber = {1-3},\n\turldate = {2012-04-18},\n\tjournal = {Forensic Science International},\n\tauthor = {Saka, Kanju and Konuma, Kiyotaka and Asai, Shigehiro and Unuma, Kana and Nakajima, Makoto and Yoshida, Ken-ichi},\n\tyear = {2009},\n\tkeywords = {Dietary supplements; Direct analysis in real time; Direct exposure probe; Liquid chromatography–mass spectrometry; AccuTOF},\n\tpages = {e5--e10},\n}\n\n\n\n
\n
\n\n\n
\n A mid-forties woman purchased seven different dietary supplements from Thailand on the internet and subsequently died after taking these supplements. Since there were no ingredient labels on the supplements, we identified the active ingredients using direct analysis in real time–mass spectrometry (DART–MS), direct exposure probe–MS (DEP–MS), and liquid chromatography–MS (LC–MS). DART–MS gives exact molecular weights and DEP–MS shows the fragmentation of a molecule by electron ionization. Analyses using these two instruments are rapid and do not require extraction of the sample. The compounds predicted by DART–MS and DEP–MS were confirmed by LC–MS and the active ingredients of the seven dietary supplements were identified.\n
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\n \n\n \n \n \n \n \n \n Assessing direct analysis in real-time-mass spectrometry (DART-MS) for the rapid identification of additives in food packaging.\n \n \n \n \n\n\n \n Ackerman, L.; Noonan, G.; and Begley, T.\n\n\n \n\n\n\n Food Additives & Contaminants: Part A, 26(12): 1611–1618. 2009.\n \n\n\n\n
\n\n\n\n \n \n \"AssessingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{ackerman_assessing_2009,\n\ttitle = {Assessing direct analysis in real-time-mass spectrometry ({DART}-{MS}) for the rapid identification of additives in food packaging},\n\tvolume = {26},\n\tissn = {1944-0049},\n\turl = {http://dx.doi.org/10.1080/02652030903232753},\n\tdoi = {10.1080/02652030903232753},\n\tabstract = {The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.\nThe ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.},\n\tnumber = {12},\n\tjournal = {Food Additives \\& Contaminants: Part A},\n\tauthor = {Ackerman, L.K. and Noonan, G.O. and Begley, T.H.},\n\tyear = {2009},\n\tkeywords = {in-house validation; screening assays; food-contact materials; packaging additives; paper; plastics; Waters Triple Quad},\n\tpages = {1611--1618},\n}\n\n\n\n
\n
\n\n\n
\n The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement. The ambient ionization technique direct analysis in real time (DART) was characterized and evaluated for the screening of food packaging for the presence of packaging additives using a benchtop mass spectrometer (MS). Approximate optimum conditions were determined for 13 common food-packaging additives, including plasticizers, anti-oxidants, colorants, grease-proofers, and ultraviolet light stabilizers. Method sensitivity and linearity were evaluated using solutions and characterized polymer samples. Additionally, the response of a model additive (di-ethyl-hexyl-phthalate) was examined across a range of sample positions, DART, and MS conditions (temperature, voltage and helium flow). Under optimal conditions, molecular ion (M+H+) was the major ion for most additives. Additive responses were highly sensitive to sample and DART source orientation, as well as to DART flow rates, temperatures, and MS inlet voltages, respectively. DART-MS response was neither consistently linear nor quantitative in this setting, and sensitivity varied by additive. All additives studied were rapidly identified in multiple food-packaging materials by DART-MS/MS, suggesting this technique can be used to screen food packaging rapidly. However, method sensitivity and quantitation requires further study and improvement.\n
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\n \n\n \n \n \n \n \n Simple and Rapid Screening for Psychotropic Natural Products Using Direct Analysis in Real Time (DART)-TOFMS.\n \n \n \n\n\n \n Kawamura, M.; Kikura-Hanajiri, R.; and Goda, Y.\n\n\n \n\n\n\n Yakugaku Zasshi, 129: 719–725. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{kawamura_simple_2009,\n\ttitle = {Simple and {Rapid} {Screening} for {Psychotropic} {Natural} {Products} {Using} {Direct} {Analysis} in {Real} {Time} ({DART})-{TOFMS}},\n\tvolume = {129},\n\tdoi = {10.1248/yakushi.129.719},\n\tabstract = {Direct Analysis in Real Time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. To investigate the trend of non-controlled psychotropic plants of abuse in Japan, a rapid screening method, without sample preparation, was developed using DART-time of flight mass spectrometer (TOFMS) for plant products. The major psychotropic constituents of these products were determined using liquid chromatography-mass spectrometry (LC/MS). As a result of the DART-TOFMS analyses of 36 products, the protonated molecular ions [M+H]+, corresponding to 6 kinds of major hallucinogenic constituents (mescaline, salvinorin A, N,N-dimethyltryptamine, harmine, harmaline and lysergamide), were detected in 21 products. It was possible to estimate their accurate elemental compositions through exact mass measurements. These results were consistent with those of the LC/MS analyses and the contents of the 6 psychotropic constituents were in the range from 0.05 to 45 μg/mg. Typical controlled narcotic drugs, tetrahydrocannabinol, opioid alkaloids and psilocin were also directly detected in marijuana cigarette, opium gum and magic mushroom respectively. Although it is difficult to estimate the matrix effects caused by other plant ingredients, the DART-TOFMS could be useful as a simple and rapid screening method for the targeted psychotropic natural products, because it provides the molecular information of the target compounds without time-consuming extraction and pre-treatment steps.},\n\tjournal = {Yakugaku Zasshi},\n\tauthor = {Kawamura, M. and Kikura-Hanajiri, R. and Goda, Y.},\n\tyear = {2009},\n\tkeywords = {DART; AccuTOF, Direct Analysis in Real Time (DART); TOFMS; LC/MS; psychotropic plants},\n\tpages = {719--725},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Direct Analysis in Real Time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. To investigate the trend of non-controlled psychotropic plants of abuse in Japan, a rapid screening method, without sample preparation, was developed using DART-time of flight mass spectrometer (TOFMS) for plant products. The major psychotropic constituents of these products were determined using liquid chromatography-mass spectrometry (LC/MS). As a result of the DART-TOFMS analyses of 36 products, the protonated molecular ions [M+H]+, corresponding to 6 kinds of major hallucinogenic constituents (mescaline, salvinorin A, N,N-dimethyltryptamine, harmine, harmaline and lysergamide), were detected in 21 products. It was possible to estimate their accurate elemental compositions through exact mass measurements. These results were consistent with those of the LC/MS analyses and the contents of the 6 psychotropic constituents were in the range from 0.05 to 45 μg/mg. Typical controlled narcotic drugs, tetrahydrocannabinol, opioid alkaloids and psilocin were also directly detected in marijuana cigarette, opium gum and magic mushroom respectively. Although it is difficult to estimate the matrix effects caused by other plant ingredients, the DART-TOFMS could be useful as a simple and rapid screening method for the targeted psychotropic natural products, because it provides the molecular information of the target compounds without time-consuming extraction and pre-treatment steps.\n
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\n \n\n \n \n \n \n \n Elderberry flavonoids bind to and prevent H1N1 infection in vitro.\n \n \n \n\n\n \n Roschek Jr., B.; Fink, R. C.; McMichael, M. D.; Li, D.; and Alberte, R. S.\n\n\n \n\n\n\n Phytochemistry, 70(10): 1255–1262. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{roschek_jr._elderberry_2009,\n\ttitle = {Elderberry flavonoids bind to and prevent {H1N1} infection in vitro},\n\tvolume = {70},\n\tdoi = {10.1016/j.phytochem.2009.06.003},\n\tabstract = {A ionization technique in mass spectrometry called Direct Analysis in Real Time Mass Spectrometry (DART TOF-MS) coupled with a Direct Binding Assay was used to identify and characterize anti-viral components of an elderberry fruit (Sambucus nigra L.) extract without either derivatization or separation by standard chromatographic techniques. The elderberry extract inhibited Human Influenza A (H1N1) infection in vitro with an IC50 value of 252 ± 34 μg/mL. The Direct Binding Assay established that flavonoids from the elderberry extract bind to H1N1 virions and, when bound, block the ability of the viruses to infect host cells. Two compounds were identified, 5,7,3′,4′-tetra-O-methylquercetin (1) and 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chroman-3-yl-3,4,5-trihydroxycyclohexanecarboxylate (2), as H1N1-bound chemical species. Compound 1 and dihydromyricetin (3), the corresponding 3-hydroxyflavonone of 2, were synthesized and shown to inhibit H1N1 infection in vitro by binding to H1N1 virions, blocking host cell entry and/or recognition. Compound 1 gave an IC50 of 0.13 μg/mL (0.36 μM) for H1N1 infection inhibition, while dihydromyricetin (3) achieved an IC50 of 2.8 μg/mL (8.7 μM). The H1N1 inhibition activities of the elderberry flavonoids compare favorably to the known anti-influenza activities of Oseltamivir (Tamiflu®; 0.32 μM) and Amantadine (27 μM).},\n\tnumber = {10},\n\tjournal = {Phytochemistry},\n\tauthor = {Roschek Jr., Bill and Fink, Ryan C. and McMichael, Matthew D. and Li, Dan and Alberte, Randall S.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {1255--1262},\n}\n\n\n\n
\n
\n\n\n
\n A ionization technique in mass spectrometry called Direct Analysis in Real Time Mass Spectrometry (DART TOF-MS) coupled with a Direct Binding Assay was used to identify and characterize anti-viral components of an elderberry fruit (Sambucus nigra L.) extract without either derivatization or separation by standard chromatographic techniques. The elderberry extract inhibited Human Influenza A (H1N1) infection in vitro with an IC50 value of 252 ± 34 μg/mL. The Direct Binding Assay established that flavonoids from the elderberry extract bind to H1N1 virions and, when bound, block the ability of the viruses to infect host cells. Two compounds were identified, 5,7,3′,4′-tetra-O-methylquercetin (1) and 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)chroman-3-yl-3,4,5-trihydroxycyclohexanecarboxylate (2), as H1N1-bound chemical species. Compound 1 and dihydromyricetin (3), the corresponding 3-hydroxyflavonone of 2, were synthesized and shown to inhibit H1N1 infection in vitro by binding to H1N1 virions, blocking host cell entry and/or recognition. Compound 1 gave an IC50 of 0.13 μg/mL (0.36 μM) for H1N1 infection inhibition, while dihydromyricetin (3) achieved an IC50 of 2.8 μg/mL (8.7 μM). The H1N1 inhibition activities of the elderberry flavonoids compare favorably to the known anti-influenza activities of Oseltamivir (Tamiflu®; 0.32 μM) and Amantadine (27 μM).\n
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\n \n\n \n \n \n \n \n Identification of a cannabimimetic indole as a designer drug in a herbal product.\n \n \n \n\n\n \n Uchiyama, N.; Kikura-Hanajiri, R.; Kawahara, N.; and Goda, Y.\n\n\n \n\n\n\n Forensic Toxicology, 27(2): 61–66. 2009.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{uchiyama_identification_2009,\n\ttitle = {Identification of a cannabimimetic indole as a designer drug in a herbal product},\n\tvolume = {27},\n\tnumber = {2},\n\tjournal = {Forensic Toxicology},\n\tauthor = {Uchiyama, N. and Kikura-Hanajiri, R. and Kawahara, N. and Goda, Y.},\n\tyear = {2009},\n\tkeywords = {AccuTOF},\n\tpages = {61--66},\n}\n\n\n\n
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\n  \n 2008\n \n \n (252)\n \n \n
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\n \n\n \n \n \n \n \n GC–TOF-MS and DART–TOF-MS: Challenges in the Analysis of Soft Drinks.\n \n \n \n\n\n \n Cajka, T.; Vaclavik, L.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n LC/GC Europe, 21(5): 250–256. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cajka_gctof-ms_2008,\n\ttitle = {{GC}–{TOF}-{MS} and {DART}–{TOF}-{MS}: {Challenges} in the {Analysis} of {Soft} {Drinks}.},\n\tvolume = {21},\n\tabstract = {The potential of the time-of-flight mass spectrometry (TOF-MS) to innovate the analysis of soft drinks is described using gas chromatography (GC) hyphenated to TOF-MS and a new type of ion source, direct analysis in real time (DART), coupled to high-resolution TOF-MS. Head-space solid-phase microextraction (SPME) was used to isolate/extract volatile compounds followed by GC–TOF-MS to identify tainted compound in contaminated soft drinks. Direct analysis in real time–time-of-flight mass spectrometry (DART–TOF-MS) was also used to obtain negative and positive ion profiles of different soft drinks to determine the presence of various compounds, including antimicrobial preservatives, artificial sweeteners, acidulants and saccharides, without any sample preparation and chromatographic separation.},\n\tnumber = {5},\n\tjournal = {LC/GC Europe},\n\tauthor = {Cajka, T. and Vaclavik, L. and Riddellova, K. and Hajslova, J.},\n\tyear = {2008},\n\tkeywords = {AccuTOF; GC x GC; Leco Pegasus},\n\tpages = {250--256},\n}\n\n\n\n
\n
\n\n\n
\n The potential of the time-of-flight mass spectrometry (TOF-MS) to innovate the analysis of soft drinks is described using gas chromatography (GC) hyphenated to TOF-MS and a new type of ion source, direct analysis in real time (DART), coupled to high-resolution TOF-MS. Head-space solid-phase microextraction (SPME) was used to isolate/extract volatile compounds followed by GC–TOF-MS to identify tainted compound in contaminated soft drinks. Direct analysis in real time–time-of-flight mass spectrometry (DART–TOF-MS) was also used to obtain negative and positive ion profiles of different soft drinks to determine the presence of various compounds, including antimicrobial preservatives, artificial sweeteners, acidulants and saccharides, without any sample preparation and chromatographic separation.\n
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\n \n\n \n \n \n \n \n \n Characterization of “Yaa Chud” Medicine on the Thailand–Myanmar Border: Selecting for Drug-resistant Malaria and Threatening Public Health.\n \n \n \n \n\n\n \n Newton, P. N.; Hampton, C. Y.; Alter-Hall, K.; Teerwarakulpana, T.; Prakongpan, S.; Ruangveerayuth, R.; White, N. J.; Day, N. P. J.; Tudino, M. B.; Mancuso, N.; and Fernández, F. M.\n\n\n \n\n\n\n The American Journal of Tropical Medicine and Hygiene, 79(5): 662 –669. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{newton_characterization_2008,\n\ttitle = {Characterization of “{Yaa} {Chud}” {Medicine} on the {Thailand}–{Myanmar} {Border}: {Selecting} for {Drug}-resistant {Malaria} and {Threatening} {Public} {Health}},\n\tvolume = {79},\n\turl = {http://www.ajtmh.org/content/79/5/662.abstract},\n\tabstract = {Multidrug-resistant Plasmodium falciparum malaria is a severe public health problem on the Thailand–Myanmar border. Many villagers buy packets of 4–5 mixed medicines (“yaa chud”) from shops without medical assessment as their first-line malaria treatment. In 2000–2001 a local researcher purchased 50 yaa chud from 44 shops around Mae Sot, Thailand and Myawaddy, Myanmar (Burma), for his wife who was said to be pregnant with fever and drowsiness. The tablets/capsules were provisionally identified by appearance and active ingredients determined in a subset by using mass and atomic spectrometry. The most frequently detected active ingredients were acetaminophen (22\\%), chlorpheniramine (13.4\\%), chloroquine (12.6\\%), tetracycline/doxycycline (11.4\\%), and quinine (5.1\\%). Only seven bags contained potentially curative medicine for malaria. A total of 82\\% of the bags contained medicines contraindicated in pregnancy. Inappropriate, ineffective antimalarial drugs on the Thailand–Myanmar border are likely to increase malaria morbidity, mortality and health costs and engender the emergence and spread of antimalarial drug resistance.},\n\tnumber = {5},\n\tjournal = {The American Journal of Tropical Medicine and Hygiene},\n\tauthor = {Newton, Paul N. and Hampton, Christina Y. and Alter-Hall, Krystyn and Teerwarakulpana, Thanongsak and Prakongpan, Sompol and Ruangveerayuth, Ronnatrai and White, Nicholas J. and Day, Nicholas P. J. and Tudino, Mabel B. and Mancuso, Natalia and Fernández, Facundo M.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {662 --669},\n}\n\n\n\n
\n
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\n Multidrug-resistant Plasmodium falciparum malaria is a severe public health problem on the Thailand–Myanmar border. Many villagers buy packets of 4–5 mixed medicines (“yaa chud”) from shops without medical assessment as their first-line malaria treatment. In 2000–2001 a local researcher purchased 50 yaa chud from 44 shops around Mae Sot, Thailand and Myawaddy, Myanmar (Burma), for his wife who was said to be pregnant with fever and drowsiness. The tablets/capsules were provisionally identified by appearance and active ingredients determined in a subset by using mass and atomic spectrometry. The most frequently detected active ingredients were acetaminophen (22%), chlorpheniramine (13.4%), chloroquine (12.6%), tetracycline/doxycycline (11.4%), and quinine (5.1%). Only seven bags contained potentially curative medicine for malaria. A total of 82% of the bags contained medicines contraindicated in pregnancy. Inappropriate, ineffective antimalarial drugs on the Thailand–Myanmar border are likely to increase malaria morbidity, mortality and health costs and engender the emergence and spread of antimalarial drug resistance.\n
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\n \n\n \n \n \n \n \n \n Planar Chromatography - Back to the future?.\n \n \n \n \n\n\n \n Morlock, G.; and Schwack, W.\n\n\n \n\n\n\n LC/GC Europe, (21): 366–371. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"PlanarPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{morlock_planar_2008,\n\ttitle = {Planar {Chromatography} - {Back} to the future?},\n\turl = {http://chromatographyonline.findanalytichem.com/lcgc/article/articleDetail.jsp?id=531582&pageID=1&sk=&date=},\n\tabstract = {The importance of planar chromatography, particularly thin layer chromatography (TLC), is vastly underestimated. This article highlights\nthe unique attributes of high performance thin layer chromatography (HPTLC) compared with rival column techniques. Two advanced\napplications in planar chromatography are described to illustrate the potential of this technique: bioactivity-based detection and coupling\nwith mass spectrometry (MS).},\n\tnumber = {21},\n\tjournal = {LC/GC Europe},\n\tauthor = {Morlock, G. and Schwack, W.},\n\tyear = {2008},\n\tkeywords = {Thermo LTQ},\n\tpages = {366--371},\n}\n\n\n\n
\n
\n\n\n
\n The importance of planar chromatography, particularly thin layer chromatography (TLC), is vastly underestimated. This article highlights the unique attributes of high performance thin layer chromatography (HPTLC) compared with rival column techniques. Two advanced applications in planar chromatography are described to illustrate the potential of this technique: bioactivity-based detection and coupling with mass spectrometry (MS).\n
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\n \n\n \n \n \n \n \n An Integrated Wipe Sample Transport/Autosampler to Maximize Throughput for a Direct Analysis in Real Time (DART)/Orthogonal Acceleration, Time-of-Flight Mass Spectrometer (oa-TOFMS).\n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Environmental Forensics, 9(2): 137 – 143. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_integrated_2008,\n\ttitle = {An {Integrated} {Wipe} {Sample} {Transport}/{Autosampler} to {Maximize} {Throughput} for a {Direct} {Analysis} in {Real} {Time} ({DART})/{Orthogonal} {Acceleration}, {Time}-of-{Flight} {Mass} {Spectrometer} (oa-{TOFMS})},\n\tvolume = {9},\n\tissn = {1527-5922},\n\tabstract = {A wipe sample transport was designed and built to meet two objectives: to simplify collection, storage, and transport of cotton swab wipe samples and to provide a sample train of 72 wipe samples nearly ready for analysis when the swabs reach the laboratory. The cotton swabs are mounted on an Al rod that is the sample support for an autosampler used to perform direct analysis in real time (DART)/orthogonal acceleration, time-of-flight mass spectrometry (oa-TOFMS) analyses. The goal is for one analyst to analyze 1000 wipe samples mounted on 14 Al rods in one 8-h shift.},\n\tnumber = {2},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, Andrew H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {137 -- 143},\n}\n\n\n\n
\n
\n\n\n
\n A wipe sample transport was designed and built to meet two objectives: to simplify collection, storage, and transport of cotton swab wipe samples and to provide a sample train of 72 wipe samples nearly ready for analysis when the swabs reach the laboratory. The cotton swabs are mounted on an Al rod that is the sample support for an autosampler used to perform direct analysis in real time (DART)/orthogonal acceleration, time-of-flight mass spectrometry (oa-TOFMS) analyses. The goal is for one analyst to analyze 1000 wipe samples mounted on 14 Al rods in one 8-h shift.\n
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\n \n\n \n \n \n \n \n A Collaborative Epidemiological Investigation into the Criminal Fake Artesunate Trade in South East Asia.\n \n \n \n\n\n \n Newton, P. N.; Fernandez, F. M.; Plancon, A.; Mildenhall, D. C.; Green, M. D.; Ziyong, L.; Christophel, E. M.; Phanouvong, S.; Howells, S.; McIntosh, E.; Laurin, P.; Blum, N.; Hampton, C. Y.; Faure, K.; Nyadong, L.; Soong, C. W. R.; Santoso, B.; Zhiguang, W.; Newton, J.; and Palmer, K.\n\n\n \n\n\n\n PLoS Medicine, 5(2): e32. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{newton_collaborative_2008,\n\ttitle = {A {Collaborative} {Epidemiological} {Investigation} into the {Criminal} {Fake} {Artesunate} {Trade} in {South} {East} {Asia}},\n\tvolume = {5},\n\tabstract = {BackgroundSince 1998 the serious public health problem in South East Asia of counterfeit artesunate, containing no or subtherapeutic amounts of the active antimalarial ingredient, has led to deaths from untreated malaria, reduced confidence in this vital drug, large economic losses for the legitimate manufacturers, and concerns that artemisinin resistance might be engendered.Methods and FindingsWith evidence of a deteriorating situation, a group of police, criminal analysts, chemists, palynologists, and health workers collaborated to determine the source of these counterfeits under the auspices of the International Criminal Police Organization (INTERPOL) and the Western Pacific World Health Organization Regional Office. A total of 391 samples of genuine and counterfeit artesunate collected in Vietnam (75), Cambodia (48), Lao PDR (115), Myanmar (Burma) (137) and the Thai/Myanmar border (16), were available for analysis. Sixteen different fake hologram types were identified. High-performance liquid chromatography and/or mass spectrometry confirmed that all specimens thought to be counterfeit (195/391, 49.9\\%) on the basis of packaging contained no or small quantities of artesunate (up to 12 mg per tablet as opposed to ∼ 50 mg per genuine tablet). Chemical analysis demonstrated a wide diversity of wrong active ingredients, including banned pharmaceuticals, such as metamizole, and safrole, a carcinogen, and raw material for manufacture of methylenedioxymethamphetamine (‘ecstasy'). Evidence from chemical, mineralogical, biological, and packaging analysis suggested that at least some of the counterfeits were manufactured in southeast People's Republic of China. This evidence prompted the Chinese Government to act quickly against the criminal traders with arrests and seizures.ConclusionsAn international multi-disciplinary group obtained evidence that some of the counterfeit artesunate was manufactured in China, and this prompted a criminal investigation. International cross-disciplinary collaborations may be appropriate in the investigation of other serious counterfeit medicine public health problems elsewhere, but strengthening of international collaborations and forensic and drug regulatory authority capacity will be required.},\n\tnumber = {2},\n\tjournal = {PLoS Medicine},\n\tauthor = {Newton, Paul N. and Fernandez, Facundo M. and Plancon, Aline and Mildenhall, Dallas C. and Green, Michael D. and Ziyong, Li and Christophel, Eva Maria and Phanouvong, Souly and Howells, Stephen and McIntosh, Eric and Laurin, Paul and Blum, Nancy and Hampton, Christina Y. and Faure, Kevin and Nyadong, Leonard and Soong, C. W. Ray and Santoso, Budiono and Zhiguang, Wang and Newton, John and Palmer, Kevin},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {e32},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n BackgroundSince 1998 the serious public health problem in South East Asia of counterfeit artesunate, containing no or subtherapeutic amounts of the active antimalarial ingredient, has led to deaths from untreated malaria, reduced confidence in this vital drug, large economic losses for the legitimate manufacturers, and concerns that artemisinin resistance might be engendered.Methods and FindingsWith evidence of a deteriorating situation, a group of police, criminal analysts, chemists, palynologists, and health workers collaborated to determine the source of these counterfeits under the auspices of the International Criminal Police Organization (INTERPOL) and the Western Pacific World Health Organization Regional Office. A total of 391 samples of genuine and counterfeit artesunate collected in Vietnam (75), Cambodia (48), Lao PDR (115), Myanmar (Burma) (137) and the Thai/Myanmar border (16), were available for analysis. Sixteen different fake hologram types were identified. High-performance liquid chromatography and/or mass spectrometry confirmed that all specimens thought to be counterfeit (195/391, 49.9%) on the basis of packaging contained no or small quantities of artesunate (up to 12 mg per tablet as opposed to ∼ 50 mg per genuine tablet). Chemical analysis demonstrated a wide diversity of wrong active ingredients, including banned pharmaceuticals, such as metamizole, and safrole, a carcinogen, and raw material for manufacture of methylenedioxymethamphetamine (‘ecstasy'). Evidence from chemical, mineralogical, biological, and packaging analysis suggested that at least some of the counterfeits were manufactured in southeast People's Republic of China. This evidence prompted the Chinese Government to act quickly against the criminal traders with arrests and seizures.ConclusionsAn international multi-disciplinary group obtained evidence that some of the counterfeit artesunate was manufactured in China, and this prompted a criminal investigation. International cross-disciplinary collaborations may be appropriate in the investigation of other serious counterfeit medicine public health problems elsewhere, but strengthening of international collaborations and forensic and drug regulatory authority capacity will be required.\n
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\n \n\n \n \n \n \n \n Expression of tropane alkaloids in the hairy root culture of Atropa acuminata substantiated by DART mass spectrometric technique.\n \n \n \n\n\n \n Banerjee, S.; Madhusudanan, K. P.; Chattopadhyay, S. K.; Rahman, L. U.; and Khanuja, S. P. S.\n\n\n \n\n\n\n Biomedical Chromatography, 22(8): 830–834. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{banerjee_expression_2008,\n\ttitle = {Expression of tropane alkaloids in the hairy root culture of {Atropa} acuminata substantiated by {DART} mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {Agrobacterium rhizogenes-mediated hairy root cultures were established in Atropa acuminata. The chemical profiling of the hairy roots was carried out by a new mass spectrometric technique, direct analysis in real time (DART). The intact hairy roots were directly analyzed by holding them in the gap between the DART ion source and mass spectrometer. Two alkaloids, atropine and scopolamine, were characterized. The structural confirmation of the two alkaloids was made through their accurate molecular formula determinations. This is the first report of establishing hairy roots in A. acuminata as well as application of the DART technique for the chemical profiling of its hairy roots.},\n\tnumber = {8},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Banerjee, Suchitra and Madhusudanan, K. P. and Chattopadhyay, Sunil K. and Rahman, Laiq Ur and Khanuja, Suman P. S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {830--834},\n}\n\n\n\n
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\n Agrobacterium rhizogenes-mediated hairy root cultures were established in Atropa acuminata. The chemical profiling of the hairy roots was carried out by a new mass spectrometric technique, direct analysis in real time (DART). The intact hairy roots were directly analyzed by holding them in the gap between the DART ion source and mass spectrometer. Two alkaloids, atropine and scopolamine, were characterized. The structural confirmation of the two alkaloids was made through their accurate molecular formula determinations. This is the first report of establishing hairy roots in A. acuminata as well as application of the DART technique for the chemical profiling of its hairy roots.\n
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\n \n\n \n \n \n \n \n \n Analysis of Deoxynivalenol in Beer.\n \n \n \n \n\n\n \n Hajslova, J.; Vaclavik, L.; Cajka, T.; Poustka, J.; and Schurek, J.\n\n\n \n\n\n\n 2008.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@misc{hajslova_analysis_2008,\n\ttitle = {Analysis of {Deoxynivalenol} in {Beer}},\n\turl = {http://chromatographyonline.findanalytichem.com/lcgc/Articles/Analysis-of-Deoxynivalenol-in-Beer/ArticleStandard/Article/detail/547873},\n\tjournal = {LCGC: Chromatography Online},\n\tauthor = {Hajslova, Jana and Vaclavik, Lukas and Cajka, Tomas and Poustka, Jan and Schurek, Jakub},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Analytical Strategy for Rapid Identification and Quantification of Lubricant Additives in Mineral Oil by High-Performance Thin-Layer Chromatography with UV Absorption and Fluorescence Detection Combined with Mass Spectrometry and Infrared Spectroscopy.\n \n \n \n\n\n \n Dytkiewitz, E.; and Morlock, G. E.\n\n\n \n\n\n\n Journal of AOAC International, 91(5): 1237–1244. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{dytkiewitz_analytical_2008,\n\ttitle = {Analytical {Strategy} for {Rapid} {Identification} and {Quantification} of {Lubricant} {Additives} in {Mineral} {Oil} by {High}-{Performance} {Thin}-{Layer} {Chromatography} with {UV} {Absorption} and {Fluorescence} {Detection} {Combined} with {Mass} {Spectrometry} and {Infrared} {Spectroscopy}},\n\tvolume = {91},\n\tabstract = {A simple strategy for identification and quantification of lubricant additives in mineral oil was demonstrated by high-performance thin-layer chromatography with UV absorption and fluorescence detection using various coupling options, e.g., with attenuated total reflectance infrared (ATR-IR) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, electrospray ionization mass spectrometry (ESI-MS), and direct analysis in real-time mass spectrometry (DART-MS). For the additives zinc bis(O,O'-diisobutyl dithiophosphate), zinc bis(O,O'-didodecyl dithiophosphate), and Anglamol 99®, 2 chromatographic systems were developed, i.e., a reversed-phase (RP) system on RP2 plates using an acetonitrile-based mobile phase and a normal-phase system on silica gel 60 plates using a toluene-based gradient. Densitometry was performed by absorption measurement at 220 nm. Repeatabilities (relative standard deviation, n = 6) between 2.2 and 5.5\\% and correlation coefficients {\\textgreater}0.9973 were highly satisfactory for the analysis of these additives in the mineral oil. Primuline reagent was used to improve the detection limit of the lipophilic additives by a factor of 2, followed by fluorescence measurement at UV 366/{\\textgreater}400 nm. For rapid identification by ATR-IR and FTIR, the respective additive zones on the plate were online extracted by an interface called ChromeXtract, concentrated, and directly applied for measurements in the wave number range of 4000–400 cm−1. Identification was confirmed by online ESI-MS within a minute using ChromeXtract and by DART-MS within seconds.},\n\tnumber = {5},\n\tjournal = {Journal of AOAC International},\n\tauthor = {Dytkiewitz, Elisabeth and Morlock, Gertrud E.},\n\tyear = {2008},\n\tkeywords = {Agilent Quad},\n\tpages = {1237--1244},\n}\n\n\n\n
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\n A simple strategy for identification and quantification of lubricant additives in mineral oil was demonstrated by high-performance thin-layer chromatography with UV absorption and fluorescence detection using various coupling options, e.g., with attenuated total reflectance infrared (ATR-IR) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, electrospray ionization mass spectrometry (ESI-MS), and direct analysis in real-time mass spectrometry (DART-MS). For the additives zinc bis(O,O'-diisobutyl dithiophosphate), zinc bis(O,O'-didodecyl dithiophosphate), and Anglamol 99®, 2 chromatographic systems were developed, i.e., a reversed-phase (RP) system on RP2 plates using an acetonitrile-based mobile phase and a normal-phase system on silica gel 60 plates using a toluene-based gradient. Densitometry was performed by absorption measurement at 220 nm. Repeatabilities (relative standard deviation, n = 6) between 2.2 and 5.5% and correlation coefficients \\textgreater0.9973 were highly satisfactory for the analysis of these additives in the mineral oil. Primuline reagent was used to improve the detection limit of the lipophilic additives by a factor of 2, followed by fluorescence measurement at UV 366/\\textgreater400 nm. For rapid identification by ATR-IR and FTIR, the respective additive zones on the plate were online extracted by an interface called ChromeXtract, concentrated, and directly applied for measurements in the wave number range of 4000–400 cm−1. Identification was confirmed by online ESI-MS within a minute using ChromeXtract and by DART-MS within seconds.\n
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\n \n\n \n \n \n \n \n Solvent Effect on the Self-Assembled Structure of an Amphiphilic Perylene Diimide Derivative.\n \n \n \n\n\n \n Yang, X.; Xu, X.; and Ji, H.\n\n\n \n\n\n\n Journal of Physical Chemistry B, 112: 7196–7202. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{yang_solvent_2008,\n\ttitle = {Solvent {Effect} on the {Self}-{Assembled} {Structure} of an {Amphiphilic} {Perylene} {Diimide} {Derivative}},\n\tvolume = {112},\n\tdoi = {10.1021/jp801413k},\n\tabstract = {An amphiphilic electron-deficient (n-type) perylene diimide has been synthesized and characterized. The diimide\ncontains a hydrophobic long chain on one end and a hydrophilic ethoxy chain on the other. The self-assembly\nof this molecule in polar and nonpolar solvents has been demonstrated by concentration- and temperaturedependent\nabsorption and fluorescence spectroscopies. Analysis of the spectral change for the aggregates\nshows typical J-aggregates for structures precipitated from polar solvents and H-aggregates for structures\nprecipitated from nonpolar solvents. SEM and TEM micrographs and a suggested packing scheme, compatible\nwith the formation of nanostrips in nonpolar solvents and nanofibers in polar solvents, are presented.},\n\tjournal = {Journal of Physical Chemistry B},\n\tauthor = {Yang, Xin and Xu, Xiaohe and Ji, Hai-Feng},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {7196--7202},\n}\n\n\n\n
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\n An amphiphilic electron-deficient (n-type) perylene diimide has been synthesized and characterized. The diimide contains a hydrophobic long chain on one end and a hydrophilic ethoxy chain on the other. The self-assembly of this molecule in polar and nonpolar solvents has been demonstrated by concentration- and temperaturedependent absorption and fluorescence spectroscopies. Analysis of the spectral change for the aggregates shows typical J-aggregates for structures precipitated from polar solvents and H-aggregates for structures precipitated from nonpolar solvents. SEM and TEM micrographs and a suggested packing scheme, compatible with the formation of nanostrips in nonpolar solvents and nanofibers in polar solvents, are presented.\n
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\n \n\n \n \n \n \n \n Flammable Solvent Detection Directly from Common Household Materials Yields Differential Results: An Application of Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n\n\n \n Coates, C.; Coticone, S.; Barreto, P.; Cobb, A.; Cody, R.; and Barreto, J.\n\n\n \n\n\n\n Journal of Forensic Identification, 58(6): 624 –631. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{coates_flammable_2008,\n\ttitle = {Flammable {Solvent} {Detection} {Directly} from {Common} {Household} {Materials} {Yields} {Differential} {Results}: {An} {Application} of {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}.},\n\tvolume = {58},\n\tabstract = {In this study, we report the analysis of volatile flammable solvents present on common household materials by employing a mass spectrometric technique that incorporates a novel ion source: direct analysis in real time (DART). We used the new ionization method to directly volatilize and ionize a solvent sample, which was then sent to a high-resolution mass spectrometer. We analyzed two common flammable solvents, gasoline and paint thinner, directly from cotton, drywall, and nylon materials. DART sampling occurs directly from the chemical matrix of the common household materials, with no sample preparation needed. Cotton swabs containing solvents, gasoline, and paint thinner produced characteristic signature peaks. In addition, different substrates (cotton, nylon, and drywall) containing gasoline and paint thinner were tested to determine the possibility of detecting aromatic and aliphatic solvents from a complex chemical matrix using DART technology. Specifically, we discovered that nylon was a poor substrate for DART detection of gasoline, with the entire signal disappearing in only two hours. Surprisingly, DART easily detected paint thinner on nylon even after 16 hours. Notably, DART was effective in all other cases, detecting both paint thinner and gasoline over a 0- to 16-hour period on cotton and drywall substrates. We conclude that DART sample detection directly from household materials is not simply a matter of vapor pressure; instead, direct DART detection probably dependent on a complex interaction involving adsorption effects or matrix effects on the ionization mechanism of the flammable solvents. We demonstrate and report a potentially simple, powerful, and useful alternative to traditional mass spectrometric analysis.},\n\tnumber = {6},\n\tjournal = {Journal of Forensic Identification},\n\tauthor = {Coates, C.M. and Coticone, S. and Barreto, P.D. and Cobb, A.E. and Cody, R.B. and Barreto, J.C.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {624 --631},\n}\n\n\n\n
\n
\n\n\n
\n In this study, we report the analysis of volatile flammable solvents present on common household materials by employing a mass spectrometric technique that incorporates a novel ion source: direct analysis in real time (DART). We used the new ionization method to directly volatilize and ionize a solvent sample, which was then sent to a high-resolution mass spectrometer. We analyzed two common flammable solvents, gasoline and paint thinner, directly from cotton, drywall, and nylon materials. DART sampling occurs directly from the chemical matrix of the common household materials, with no sample preparation needed. Cotton swabs containing solvents, gasoline, and paint thinner produced characteristic signature peaks. In addition, different substrates (cotton, nylon, and drywall) containing gasoline and paint thinner were tested to determine the possibility of detecting aromatic and aliphatic solvents from a complex chemical matrix using DART technology. Specifically, we discovered that nylon was a poor substrate for DART detection of gasoline, with the entire signal disappearing in only two hours. Surprisingly, DART easily detected paint thinner on nylon even after 16 hours. Notably, DART was effective in all other cases, detecting both paint thinner and gasoline over a 0- to 16-hour period on cotton and drywall substrates. We conclude that DART sample detection directly from household materials is not simply a matter of vapor pressure; instead, direct DART detection probably dependent on a complex interaction involving adsorption effects or matrix effects on the ionization mechanism of the flammable solvents. We demonstrate and report a potentially simple, powerful, and useful alternative to traditional mass spectrometric analysis.\n
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\n \n\n \n \n \n \n \n An Autosampler and Field Sample Carrier for Maximizing Throughput Using an Open-Air Source for MS.\n \n \n \n\n\n \n Grange, A.\n\n\n \n\n\n\n American Laboratory, 40(16): 11–13. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_autosampler_2008,\n\ttitle = {An {Autosampler} and {Field} {Sample} {Carrier} for {Maximizing} {Throughput} {Using} an {Open}-{Air} {Source} for {MS}},\n\tvolume = {40},\n\tnumber = {16},\n\tjournal = {American Laboratory},\n\tauthor = {Grange, A.H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {11--13},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Recent developments in ambient ionization techniques for analytical mass spectrometry.\n \n \n \n\n\n \n Harris, G. A.; Nyadong, L.; and Fernandez, F. M.\n\n\n \n\n\n\n Analyst, 133: 1297–1301. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{harris_recent_2008,\n\ttitle = {Recent developments in ambient ionization techniques for analytical mass spectrometry},\n\tvolume = {133},\n\tdoi = {DOI: 10.1039/b806810k},\n\tabstract = {Ambient ionization techniques enable the interrogation of a variety of samples in their native state by mass spectrometry, and are rapidly advancing all fields where screening for the presence of various analytes in a broadband and/or high-throughput fashion is desirable. This Highlight article provides an introduction to the field, and showcases the different ionization approaches reported since 2004, with an emphasis on themost recent developments.},\n\tjournal = {Analyst},\n\tauthor = {Harris, Glenn A. and Nyadong, Leonard and Fernandez, Facundo M.},\n\tyear = {2008},\n\tkeywords = {review; AccuTOF},\n\tpages = {1297--1301},\n}\n\n\n\n
\n
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\n Ambient ionization techniques enable the interrogation of a variety of samples in their native state by mass spectrometry, and are rapidly advancing all fields where screening for the presence of various analytes in a broadband and/or high-throughput fashion is desirable. This Highlight article provides an introduction to the field, and showcases the different ionization approaches reported since 2004, with an emphasis on themost recent developments.\n
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\n \n\n \n \n \n \n \n Analysis of hairy root culture of Rauvolfia serpentina using direct analysis in real time mass spectrometric technique.\n \n \n \n\n\n \n Madhusudanan, K. P.; Banerjee, S.; Khanuja, S. P. S.; and Chattopadhyay, S. K.\n\n\n \n\n\n\n Biomedical Chromatography, 22(6): 596–600. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{madhusudanan_analysis_2008,\n\ttitle = {Analysis of hairy root culture of {Rauvolfia} serpentina using direct analysis in real time mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the hairy root culture of Rauvolfia serpentina. The intact hairy roots were analyzed by holding them in the gap between the DART source and the mass spectrometer for measurements. Two nitrogen-containing compounds, vomilenine and reserpine, were characterized from the analysis of the hairy roots almost instantaneously. The confirmation of the structures of the identified compounds was made through their accurate molecular formula determinations. This is the first report of the application of DART technique for the characterization of compounds that are expressed in the hairy root cultures of Rauvolfia serpentina. Moreover, this also constitutes the first report of expression of reserpine in the hairy root culture of Rauvolfia serpentina.},\n\tnumber = {6},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Madhusudanan, K. P. and Banerjee, Suchitra and Khanuja, Suman P. S. and Chattopadhyay, Sunil K.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {596--600},\n}\n\n\n\n
\n
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\n The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the hairy root culture of Rauvolfia serpentina. The intact hairy roots were analyzed by holding them in the gap between the DART source and the mass spectrometer for measurements. Two nitrogen-containing compounds, vomilenine and reserpine, were characterized from the analysis of the hairy roots almost instantaneously. The confirmation of the structures of the identified compounds was made through their accurate molecular formula determinations. This is the first report of the application of DART technique for the characterization of compounds that are expressed in the hairy root cultures of Rauvolfia serpentina. Moreover, this also constitutes the first report of expression of reserpine in the hairy root culture of Rauvolfia serpentina.\n
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\n \n\n \n \n \n \n \n Control of Strobilurin Fungicides in Wheat Using Direct Analysis in Real Time Accurate Time-of-Flight and Desorption Electrospray Ionization Linear Ion Trap Mass Spectrometry.\n \n \n \n\n\n \n Schurek, J.; Vaclavik, L.; Hooijerink, H.; Lacina, O.; Poustka, J.; Sharman, M.; Caldow, M.; Nielen, M. W. F.; and Hajslova, J.\n\n\n \n\n\n\n Analytical Chemistry, 80(24): 9567–9575. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{schurek_control_2008,\n\ttitle = {Control of {Strobilurin} {Fungicides} in {Wheat} {Using} {Direct} {Analysis} in {Real} {Time} {Accurate} {Time}-of-{Flight} and {Desorption} {Electrospray} {Ionization} {Linear} {Ion} {Trap} {Mass} {Spectrometry}},\n\tvolume = {80},\n\tdoi = {10.1021/ac8018137},\n\tabstract = {Ambient mass spectrometry has been used for the analysis of strobilurin residues in wheat. The use of this novel, challenging technique, employing a direct analysis in a real time (DART) ion-source coupled with a time-of-flight mass spectrometer (TOF MS) and a desorption electrospray ionization (DESI) source coupled with a linear ion trap tandem MS (LIT MSn), permitted a direct screen of the occurrence of target fungicides in treated grains in less than 1 min. For quantification purpose by DART-TOF MS, an ethyl acetate extract had to be prepared. With the use of a prochloraz as an internal standard, the performance characteristics obtained by repeated analyses of extract, spiked at 50 μg kg−1 with six strobilurins (azoxystrobin, picoxystrobin, dimoxystrobin, kresoxim-methyl, pyraclostrobin, and trifloxystrobin), were in the following range: recoveries 78−92\\%, repeatability (RSD) 8−15\\%, linearity (R2) 0.9900−0.9978. The analysis of wheat with incurred strobilurin residues demonstrated good trueness of data generated by the DART-TOF MS method; the results were in a good agreement with those obtained by the conventional approach, i.e., by the QuEChERS sample handling procedure followed by identification/quantification employing high-performance liquid chromatography coupled with tandem mass spectrometry (LC−MS/MS). Tandem mass spectrometry using DESI-LIT MSn provided a sufficient number of product ions for confirmation of the identity of azoxystrobin and pyraclostrobin in incurred wheat samples.},\n\tnumber = {24},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Schurek, Jakub and Vaclavik, Lukas and Hooijerink, H. and Lacina, Ondrej and Poustka, Jan and Sharman, Matthew and Caldow, Marianne and Nielen, Michel W. F. and Hajslova, Jana},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {9567--9575},\n}\n\n\n\n
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\n Ambient mass spectrometry has been used for the analysis of strobilurin residues in wheat. The use of this novel, challenging technique, employing a direct analysis in a real time (DART) ion-source coupled with a time-of-flight mass spectrometer (TOF MS) and a desorption electrospray ionization (DESI) source coupled with a linear ion trap tandem MS (LIT MSn), permitted a direct screen of the occurrence of target fungicides in treated grains in less than 1 min. For quantification purpose by DART-TOF MS, an ethyl acetate extract had to be prepared. With the use of a prochloraz as an internal standard, the performance characteristics obtained by repeated analyses of extract, spiked at 50 μg kg−1 with six strobilurins (azoxystrobin, picoxystrobin, dimoxystrobin, kresoxim-methyl, pyraclostrobin, and trifloxystrobin), were in the following range: recoveries 78−92%, repeatability (RSD) 8−15%, linearity (R2) 0.9900−0.9978. The analysis of wheat with incurred strobilurin residues demonstrated good trueness of data generated by the DART-TOF MS method; the results were in a good agreement with those obtained by the conventional approach, i.e., by the QuEChERS sample handling procedure followed by identification/quantification employing high-performance liquid chromatography coupled with tandem mass spectrometry (LC−MS/MS). Tandem mass spectrometry using DESI-LIT MSn provided a sufficient number of product ions for confirmation of the identity of azoxystrobin and pyraclostrobin in incurred wheat samples.\n
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\n \n\n \n \n \n \n \n Pharmacokinetics of Cyanidin and Anti-Influenza Phytonutrients in an Elder Berry Extract Determined by LC-MS and DART TOF-MS.\n \n \n \n\n\n \n Roschek Jr., B.; and Alberte, R.\n\n\n \n\n\n\n Online Journal of Pharmacology and Pharmacokinetics, 4: 1–17. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{roschek_jr._pharmacokinetics_2008,\n\ttitle = {Pharmacokinetics of {Cyanidin} and {Anti}-{Influenza} {Phytonutrients} in an {Elder} {Berry} {Extract} {Determined} by {LC}-{MS} and {DART} {TOF}-{MS}},\n\tvolume = {4},\n\tjournal = {Online Journal of Pharmacology and Pharmacokinetics},\n\tauthor = {Roschek Jr., B. and Alberte, R.S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {1--17},\n}\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n Cuticular hydrocarbon analysis of an awake behaving fly using direct analysis in real-time time-of-flight mass spectrometry.\n \n \n \n\n\n \n Yew, J. Y.; Cody, R. B.; and Kravitz, E. A.\n\n\n \n\n\n\n Proceedings of the National Academy of Sciences, 105(20): 7135–7140. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{yew_cuticular_2008,\n\ttitle = {Cuticular hydrocarbon analysis of an awake behaving fly using direct analysis in real-time time-of-flight mass spectrometry},\n\tvolume = {105},\n\tdoi = {10.1073/pnas.0802692105},\n\tabstract = {In mammals and insects, pheromones strongly influence social behaviors such as aggression and mate recognition. In , pheromones in the form of cuticular hydrocarbons play prominent roles in courtship. GC/MS is the primary analytical tool currently used to study cuticular hydrocarbons. Although GC/MS is highly reproducible and sensitive, it requires that the fly be placed in a lethal solution of organic solvent, thereby impeding further behavioral studies. We present a technique for the analysis of hydrocarbons and other surface molecules from live animals by using direct analysis in real-time (DART) MS. Cuticular hydrocarbons were sampled from the surface of a restrained, awake behaving fly by using several brief, carefully controlled depressions of the abdomen with a small steel probe. DART mass spectral analysis of the probe detected ions with mass-to-charge ratio (/) of the protonated molecule corresponding to many of the previously identified unsaturated hydrocarbons. Six additional cuticular hydrocarbons also were identified. Consistent with previous GC/MS studies, male and female differences in chemical composition were evident. Spatial differences in the expression profile also were observed on males. Sampling from an individual female first as a virgin and then 45 and 90 min after successful copulation showed that mass signals likely to correspond to -vaccenyl acetate, tricosene, and pentacosene increased in relative intensity after courtship. This method provides near-instantaneous analysis of an individual animal's chemical profile in parallel with behavioral studies and could be extended to other models of pheromone-mediated behavior.},\n\tnumber = {20},\n\tjournal = {Proceedings of the National Academy of Sciences},\n\tauthor = {Yew, Joanne Y. and Cody, Robert B. and Kravitz, Edward A.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {7135--7140},\n}\n\n\n\n
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\n In mammals and insects, pheromones strongly influence social behaviors such as aggression and mate recognition. In , pheromones in the form of cuticular hydrocarbons play prominent roles in courtship. GC/MS is the primary analytical tool currently used to study cuticular hydrocarbons. Although GC/MS is highly reproducible and sensitive, it requires that the fly be placed in a lethal solution of organic solvent, thereby impeding further behavioral studies. We present a technique for the analysis of hydrocarbons and other surface molecules from live animals by using direct analysis in real-time (DART) MS. Cuticular hydrocarbons were sampled from the surface of a restrained, awake behaving fly by using several brief, carefully controlled depressions of the abdomen with a small steel probe. DART mass spectral analysis of the probe detected ions with mass-to-charge ratio (/) of the protonated molecule corresponding to many of the previously identified unsaturated hydrocarbons. Six additional cuticular hydrocarbons also were identified. Consistent with previous GC/MS studies, male and female differences in chemical composition were evident. Spatial differences in the expression profile also were observed on males. Sampling from an individual female first as a virgin and then 45 and 90 min after successful copulation showed that mass signals likely to correspond to -vaccenyl acetate, tricosene, and pentacosene increased in relative intensity after courtship. This method provides near-instantaneous analysis of an individual animal's chemical profile in parallel with behavioral studies and could be extended to other models of pheromone-mediated behavior.\n
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\n \n\n \n \n \n \n \n \n Detection of Chemical Warfare Agents on Surfaces Relevant to Homeland Security by Direct Analysis in Real-Time Spectrometry.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Connell, T.; and Nilles, J.\n\n\n \n\n\n\n American Laboratory, 40: 16–20. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{laramee_detection_2008,\n\ttitle = {Detection of {Chemical} {Warfare} {Agents} on {Surfaces} {Relevant} to {Homeland} {Security} by {Direct} {Analysis} in {Real}-{Time} {Spectrometry}.},\n\tvolume = {40},\n\turl = {http://www.americanlaboratory.com/913-Technical-Articles/757-Detection-of-Chemical-Warfare-Agents-on-Surfaces-Relevant-to-Homeland-Security-by-Direct-Analysis-in-Real-Time-Spectrometry/},\n\tabstract = {Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents, or that require solvent extraction, DART leaves the sample surface undisturbed.\n\nAnalysis of low-volatility, condensed-phase chemicals on surfaces has been an extremely difficult and long-standing objective in environmental monitoring. When target analytes possess picotorr vapor pressures, the problem of monitoring becomes formidable. As such, any noncontact sampling at atmospheric pressure that does not require solvents or wipes would be a technological breakthrough. In addition, the absence of sample preparation would allow extremely rapid analysis in time-critical situations. Today, such a technology is now available. It is known as Direct Analysis in Real Time1 or DART™ (JEOL USA, Inc., Peabody, MA).\n\nThe U.S. Army has been testing and developing DART since 2002 for the detection of chemical warfare agents on surfaces. Fast, safe, and accurate detection of chemical agents is critical for protection, security, and decision-making. Sample preparation is seldom a requirement with DART, since the contaminated surface is simply analyzed directly using a plume of gaseous Rydberg atoms. Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents,2 or that require solvent extraction, DART leaves the sample surface undisturbed. This is a forensically worthy advantage. Recent findings of chemical warfare agent detection on militarily relevant surfaces in Homeland Security is a new approach to Warfighter safety and},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D and Connell, T.R. and Nilles, J.M.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {16--20},\n}\n\n\n\n
\n
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\n Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents, or that require solvent extraction, DART leaves the sample surface undisturbed. Analysis of low-volatility, condensed-phase chemicals on surfaces has been an extremely difficult and long-standing objective in environmental monitoring. When target analytes possess picotorr vapor pressures, the problem of monitoring becomes formidable. As such, any noncontact sampling at atmospheric pressure that does not require solvents or wipes would be a technological breakthrough. In addition, the absence of sample preparation would allow extremely rapid analysis in time-critical situations. Today, such a technology is now available. It is known as Direct Analysis in Real Time1 or DART™ (JEOL USA, Inc., Peabody, MA). The U.S. Army has been testing and developing DART since 2002 for the detection of chemical warfare agents on surfaces. Fast, safe, and accurate detection of chemical agents is critical for protection, security, and decision-making. Sample preparation is seldom a requirement with DART, since the contaminated surface is simply analyzed directly using a plume of gaseous Rydberg atoms. Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents,2 or that require solvent extraction, DART leaves the sample surface undisturbed. This is a forensically worthy advantage. Recent findings of chemical warfare agent detection on militarily relevant surfaces in Homeland Security is a new approach to Warfighter safety and\n
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\n \n\n \n \n \n \n \n Automated determination of precursor ion, product ion, and neutral loss compositions and deconvolution of composite mass spectra using ion correlation based on exact masses and relative isotopic abundances.\n \n \n \n\n\n \n Grange, A. H.; and Sovocool, G. W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 22(15): 2375–2390. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_automated_2008,\n\ttitle = {Automated determination of precursor ion, product ion, and neutral loss compositions and deconvolution of composite mass spectra using ion correlation based on exact masses and relative isotopic abundances},\n\tvolume = {22},\n\tissn = {1097-0231},\n\tabstract = {After an accidental, deliberate, or weather-related dispersion of chemicals (dispersive event), rapid determination of elemental compositions of ions in mass spectra is essential for tentatively identifying compounds. A direct analysis in real time (DART)® ion source interfaced to a JEOL AccuTOF® mass spectrometer provided exact masses accurate to within 2 mDa for most ions in full scan mass spectra and relative isotopic abundances (RIAs) accurate to within 15-20\\% for abundant isotopic ions. To speed determination of the correct composition for precursor ions and most product ions and neutral losses, a three-part software suite was developed. Starting with text files of m/z ratios and their ion abundances from mass spectra acquired at low, moderate, and high collision energies, the ion extraction program (IEP) compiled lists for the most abundant monoisotopic ions of their exact masses and the RIAs of the +1 and +2 isotopic peaks when abundance thresholds were met; precursor ions; and higher-mass, precursor-related species. The ion correlation program (ICP) determined if a precursor ion composition could yield a product ion and corresponding neutral loss compositions for each product ion in turn. The input and output program (IOP) provided the ICP with each precursor ion:product ion pair for multiple sets of error limits and prepared correlation lists for single or multiple precursor ions. The software determined the correct precursor ion compositions for 21 individual standards and for three- and seven-component mixtures. Partial deconvolution of composite mass spectra was achieved based on exact masses and RIAs, rather than on chromatography. Published in 2008 by John Wiley \\& Sons, Ltd.},\n\tnumber = {15},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H. and Sovocool, G. Wayne},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {2375--2390},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n After an accidental, deliberate, or weather-related dispersion of chemicals (dispersive event), rapid determination of elemental compositions of ions in mass spectra is essential for tentatively identifying compounds. A direct analysis in real time (DART)® ion source interfaced to a JEOL AccuTOF® mass spectrometer provided exact masses accurate to within 2 mDa for most ions in full scan mass spectra and relative isotopic abundances (RIAs) accurate to within 15-20% for abundant isotopic ions. To speed determination of the correct composition for precursor ions and most product ions and neutral losses, a three-part software suite was developed. Starting with text files of m/z ratios and their ion abundances from mass spectra acquired at low, moderate, and high collision energies, the ion extraction program (IEP) compiled lists for the most abundant monoisotopic ions of their exact masses and the RIAs of the +1 and +2 isotopic peaks when abundance thresholds were met; precursor ions; and higher-mass, precursor-related species. The ion correlation program (ICP) determined if a precursor ion composition could yield a product ion and corresponding neutral loss compositions for each product ion in turn. The input and output program (IOP) provided the ICP with each precursor ion:product ion pair for multiple sets of error limits and prepared correlation lists for single or multiple precursor ions. The software determined the correct precursor ion compositions for 21 individual standards and for three- and seven-component mixtures. Partial deconvolution of composite mass spectra was achieved based on exact masses and RIAs, rather than on chromatography. Published in 2008 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Prevalence and Detection of Counterfeit Pharmaceuticals: A Mini Review.\n \n \n \n\n\n \n Fernandez, F. M.; Green, M. D.; and Newton, P. N.\n\n\n \n\n\n\n Ind. Eng. Chem. Res., 47(3): 585–590. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{fernandez_prevalence_2008,\n\ttitle = {Prevalence and {Detection} of {Counterfeit} {Pharmaceuticals}: {A} {Mini} {Review}},\n\tvolume = {47},\n\tissn = {0888-5885},\n\tabstract = {Counterfeit drugs are a widespread, important public health problem. This mini review reports on the current status of the issue of drug counterfeiting, with special emphasis on our findings on counterfeit anti-infectives, and the new detection tools being developed to identify and characterize fake drugs.},\n\tnumber = {3},\n\tjournal = {Ind. Eng. Chem. Res.},\n\tauthor = {Fernandez, F. M. and Green, M. D. and Newton, P. N.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {585--590},\n}\n\n\n\n
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\n Counterfeit drugs are a widespread, important public health problem. This mini review reports on the current status of the issue of drug counterfeiting, with special emphasis on our findings on counterfeit anti-infectives, and the new detection tools being developed to identify and characterize fake drugs.\n
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\n \n\n \n \n \n \n \n Quantification of small molecules in plasma with direct analysis in real time tandem mass spectrometry, without sample preparation and liquid chromatographic separation.\n \n \n \n\n\n \n Zhao, Y.; Lam, M.; Wu, D.; and R., M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 22(20): 3217–3224. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{zhao_quantification_2008,\n\ttitle = {Quantification of small molecules in plasma with direct analysis in real time tandem mass spectrometry, without sample preparation and liquid chromatographic separation.},\n\tvolume = {22},\n\tabstract = {Recently, a new ion source, Direct Analysis in Real Time (DART), has been introduced which allows direct biological sample introduction into a mass spectrometry (MS) system. The elimination of conventionally required sample preparation and separation by high-performance liquid chromatography (HPLC) prior to MS analysis represents a remarkable opportunity to reduce assay turn-around time, environmental impact and capital/manpower investment. This new technology initially was used in various qualitative applications to directly detect chemicals on solid surfaces, in liquids and gases. In this study, a DART source operating under ambient pressure with ground potential was installed onto a Sciex 4000 tandem mass spectrometer and employed in the sample analysis of plasma based on direct introduction into the DART-MS/MS system. Reasonable precision and accuracy (\\%CV and \\%Error, both {\\textless}10\\%) were achieved of a significant number of compounds tested in biological fluids. In addition, the limit of detection for 80\\% of the tested compounds reached 5 ng/mL or lower which is sufficient for pharmaceutical drug discovery support. Finally, experimental conditions that significantly impacted assay performance were investigated with respect to optimization and limitation. Because of its simplicity, fast data acquisition (3-5 s) and low cost, DART has the potential to significantly impact quantitative pharmaceutical analysis in biological matrices.},\n\tnumber = {20},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Zhao, Y. and Lam, M. and Wu, D. and R., Mak},\n\tyear = {2008},\n\tkeywords = {Applied Biosystems Triple Quad},\n\tpages = {3217--3224},\n}\n\n\n\n
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\n\n\n
\n Recently, a new ion source, Direct Analysis in Real Time (DART), has been introduced which allows direct biological sample introduction into a mass spectrometry (MS) system. The elimination of conventionally required sample preparation and separation by high-performance liquid chromatography (HPLC) prior to MS analysis represents a remarkable opportunity to reduce assay turn-around time, environmental impact and capital/manpower investment. This new technology initially was used in various qualitative applications to directly detect chemicals on solid surfaces, in liquids and gases. In this study, a DART source operating under ambient pressure with ground potential was installed onto a Sciex 4000 tandem mass spectrometer and employed in the sample analysis of plasma based on direct introduction into the DART-MS/MS system. Reasonable precision and accuracy (%CV and %Error, both \\textless10%) were achieved of a significant number of compounds tested in biological fluids. In addition, the limit of detection for 80% of the tested compounds reached 5 ng/mL or lower which is sufficient for pharmaceutical drug discovery support. Finally, experimental conditions that significantly impacted assay performance were investigated with respect to optimization and limitation. Because of its simplicity, fast data acquisition (3-5 s) and low cost, DART has the potential to significantly impact quantitative pharmaceutical analysis in biological matrices.\n
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\n \n\n \n \n \n \n \n Pharmacokinetic analysis of anti-allergy and anti-inflammation bioactives in a nettle (Urtica dioica) extract.\n \n \n \n\n\n \n Ayers, S.; Roschek, B. J.; Williams, J.; and Alberte, R.\n\n\n \n\n\n\n Online Journal of Pharmacology and PharmacoKinetics, 5: 6–21. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{ayers_pharmacokinetic_2008,\n\ttitle = {Pharmacokinetic analysis of anti-allergy and anti-inflammation bioactives in a nettle ({Urtica} dioica) extract.},\n\tvolume = {5},\n\tabstract = {Pharmacokinetic analyses were conducted using DART TOF-MS on the uptake of bioactive components present in a nettle (Urtica dioica) extract delivered orally as a lozenge. Previously adenine, synephrine, osthole, and nicotinamide were shown to be key bioactives contributing to the anti-inflammatory and anti-allergy properties of the nettle extract (Roschek et al, 2009). Average serum concentrations of adenine reached 35.2 nmol L-1, nicotinamide reached 8.7 nmol L-1, osthole reached 11.0 nmol L-1, and synephrine reached 107.4 nmol L-1. These serum levels are equivalent to 0.3\\%, 0.2\\%, 0.2\\%, and 1.6\\% oral bioavailability for adenine, synephrine, osthole and nicotinamide respectively. Urine concentrations for adenine, nicotinamide, synephrine, and osthole reached 4.9 nmol L-1, 2.5 nmol L-1, 6.6 nmol L-1, and 0.2 nmol L-1, respectively. The major pharmacokinetic parameters (Cmax, Tmax, T1/2) were determined and compared for serum and urine. For all three of the compounds, Cmax values decreased 2- to 16-fold in urine compared to serum, Tmax values increased 2- to 12-fold, and T1/2 values increased 2- to 10-fold. Molecular modeling revealed that these compounds were not likely to cross the blood-brain barrier, particularly important for the anti-histamine bioactives to ensure a non-drowsy activity. These results show that antiinflammatory and anti-allergenic compounds in nettle are readily absorbed into the body and excreted in the urine when a nettle extract is delivered orally as a lozenge. In addition, DART TOF-MS is useful in quantifying multiple components in biological matrices with little or no sample preparation.},\n\tjournal = {Online Journal of Pharmacology and PharmacoKinetics},\n\tauthor = {Ayers, S. and Roschek, B. Jr and Williams, J.M. and Alberte, R.S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {6--21},\n}\n\n\n\n
\n
\n\n\n
\n Pharmacokinetic analyses were conducted using DART TOF-MS on the uptake of bioactive components present in a nettle (Urtica dioica) extract delivered orally as a lozenge. Previously adenine, synephrine, osthole, and nicotinamide were shown to be key bioactives contributing to the anti-inflammatory and anti-allergy properties of the nettle extract (Roschek et al, 2009). Average serum concentrations of adenine reached 35.2 nmol L-1, nicotinamide reached 8.7 nmol L-1, osthole reached 11.0 nmol L-1, and synephrine reached 107.4 nmol L-1. These serum levels are equivalent to 0.3%, 0.2%, 0.2%, and 1.6% oral bioavailability for adenine, synephrine, osthole and nicotinamide respectively. Urine concentrations for adenine, nicotinamide, synephrine, and osthole reached 4.9 nmol L-1, 2.5 nmol L-1, 6.6 nmol L-1, and 0.2 nmol L-1, respectively. The major pharmacokinetic parameters (Cmax, Tmax, T1/2) were determined and compared for serum and urine. For all three of the compounds, Cmax values decreased 2- to 16-fold in urine compared to serum, Tmax values increased 2- to 12-fold, and T1/2 values increased 2- to 10-fold. Molecular modeling revealed that these compounds were not likely to cross the blood-brain barrier, particularly important for the anti-histamine bioactives to ensure a non-drowsy activity. These results show that antiinflammatory and anti-allergenic compounds in nettle are readily absorbed into the body and excreted in the urine when a nettle extract is delivered orally as a lozenge. In addition, DART TOF-MS is useful in quantifying multiple components in biological matrices with little or no sample preparation.\n
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\n \n\n \n \n \n \n \n Direct analysis in real time–time-of-flight mass spectrometry: Analysis of pesticide residues and environmental contaminants.\n \n \n \n\n\n \n Vaclavik, L.; Schurek, J.; Cajka, T.; and Hajslova, J.\n\n\n \n\n\n\n Chemicke Listy, 102: s324–s327. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_direct_2008,\n\ttitle = {Direct analysis in real time–time-of-flight mass spectrometry: {Analysis} of pesticide residues and environmental contaminants.},\n\tvolume = {102},\n\tjournal = {Chemicke Listy},\n\tauthor = {Vaclavik, L. and Schurek, J. and Cajka, T. and Hajslova, J.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {s324--s327},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n An Inexpensive Autosampler to Maximize Throughput for an Ion Source that Samples Surfaces in Open Air.\n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Environmental Forensics, 9(2): 127–136. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_inexpensive_2008,\n\ttitle = {An {Inexpensive} {Autosampler} to {Maximize} {Throughput} for an {Ion} {Source} that {Samples} {Surfaces} in {Open} {Air}},\n\tvolume = {9},\n\tissn = {1527-5922},\n\tabstract = {Rapid analysis of hundreds of wipe samples after a chemical dispersion event is essential for quickly characterizing the hazard posed to the public. An autosampler was built to pull 76 cotton swabs mounted along a 91-cm (3-foot) long, square aluminum rod in open air, through the ionizing beam of a direct analysis in real time (DART) ion source interfaced to a time-of-flight mass spectrometer. The rod and swabs mounted on N-scale model railroad flat cars were pulled through the ion source in 7.5 min by a 7-rpm motor. Percent relative standard deviations (\\%RSDs) of 18.5\\% to 21.3\\% were obtained for the chromatographic peak areas of the protonated molecule. Maximum-to-minimum ratios of the areas were between 2.22 and 2.71. Measured exact masses of analyte ions were always accurate to within 1 mDa.},\n\tnumber = {2},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, Andrew H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {127--136},\n}\n\n\n\n
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\n Rapid analysis of hundreds of wipe samples after a chemical dispersion event is essential for quickly characterizing the hazard posed to the public. An autosampler was built to pull 76 cotton swabs mounted along a 91-cm (3-foot) long, square aluminum rod in open air, through the ionizing beam of a direct analysis in real time (DART) ion source interfaced to a time-of-flight mass spectrometer. The rod and swabs mounted on N-scale model railroad flat cars were pulled through the ion source in 7.5 min by a 7-rpm motor. Percent relative standard deviations (%RSDs) of 18.5% to 21.3% were obtained for the chromatographic peak areas of the protonated molecule. Maximum-to-minimum ratios of the areas were between 2.22 and 2.71. Measured exact masses of analyte ions were always accurate to within 1 mDa.\n
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\n \n\n \n \n \n \n \n \n Rapid and sensitive determination of acrylamide in drinking water by planar chromatography and fluorescence detection after derivatization with dansulfinic acid.\n \n \n \n \n\n\n \n Alpmann, A.; and Morlock, G.\n\n\n \n\n\n\n Journal of Separation Science, 31(1): 71–77. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{alpmann_rapid_2008,\n\ttitle = {Rapid and sensitive determination of acrylamide in drinking water by planar chromatography and fluorescence detection after derivatization with dansulfinic acid},\n\tvolume = {31},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.200700391},\n\tabstract = {On the basis of a novel derivatization, a new planar chromatographic method has been developed for the determination of acrylamide (AA) in drinking water at the ultra-trace level. After SPE, the water extracts were oversprayed on a high-performance thin-layer chromatography (HPTLC) silica gel plate with the derivatization agent dansulfinic acid and derivatized in situ. Chromatography was performed with ethyl acetate and the fluorescent product was quantified at 366/{\\textgreater}400 nm. Verification was based on HPTLC-ESI/MS, HPTLC-direct analysis in real-time (DART)-TOF/MS and NMR. The routine HPTLC-fluorescence detection (FLD) method was validated for spiked drinking water. The regression analysis was linear (r {\\textgreater}0.9918) in the range of 0.1-0.4 mug/L. LOD was calculated to be 0.025 mug/L and experimentally proved for spiked samples at levels down to 0.05 mug/L (S/N = 6) which was suited for monitoring the EU limit value of 0.1 mug/L in drinking water (0.5 mug/L demanded by World Health Organization (WHO)/US Environmental Protection Agency (EPA)). Within-run precision and the mean between-run precision (RSD, n = 3, three concentration levels each) were evaluated to be 4.8 and 11.0\\%, respectively. The mean recovery (0.1, 0.2, and 0.3 mug/L) was 96\\% corrected by the internal standard. The method, in comparison with HPLC-MS/MS showed comparable results and demonstrated the accuracy of the method.},\n\tnumber = {1},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Alpmann, Alexander and Morlock, Gertrud},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {71--77},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n On the basis of a novel derivatization, a new planar chromatographic method has been developed for the determination of acrylamide (AA) in drinking water at the ultra-trace level. After SPE, the water extracts were oversprayed on a high-performance thin-layer chromatography (HPTLC) silica gel plate with the derivatization agent dansulfinic acid and derivatized in situ. Chromatography was performed with ethyl acetate and the fluorescent product was quantified at 366/\\textgreater400 nm. Verification was based on HPTLC-ESI/MS, HPTLC-direct analysis in real-time (DART)-TOF/MS and NMR. The routine HPTLC-fluorescence detection (FLD) method was validated for spiked drinking water. The regression analysis was linear (r \\textgreater0.9918) in the range of 0.1-0.4 mug/L. LOD was calculated to be 0.025 mug/L and experimentally proved for spiked samples at levels down to 0.05 mug/L (S/N = 6) which was suited for monitoring the EU limit value of 0.1 mug/L in drinking water (0.5 mug/L demanded by World Health Organization (WHO)/US Environmental Protection Agency (EPA)). Within-run precision and the mean between-run precision (RSD, n = 3, three concentration levels each) were evaluated to be 4.8 and 11.0%, respectively. The mean recovery (0.1, 0.2, and 0.3 mug/L) was 96% corrected by the internal standard. The method, in comparison with HPLC-MS/MS showed comparable results and demonstrated the accuracy of the method.\n
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\n \n\n \n \n \n \n \n DART–TOFMS: A Challenging Approach in Rapid Monitoring of Brominated Flame Retardants in Environmental Matrices.\n \n \n \n\n\n \n Hajslova, J.; Vaclavik, L.; Pulkrabova, J.; Poustka, J.; and Cajka, T.\n\n\n \n\n\n\n Organohalogen Compounds, 70: 922–925. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{hajslova_darttofms:_2008,\n\ttitle = {{DART}–{TOFMS}: {A} {Challenging} {Approach} in {Rapid} {Monitoring} of {Brominated} {Flame} {Retardants} in {Environmental} {Matrices}},\n\tvolume = {70},\n\tjournal = {Organohalogen Compounds},\n\tauthor = {Hajslova, J. and Vaclavik, L. and Pulkrabova, J. and Poustka, J. and Cajka, T.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {922--925},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n HRMS Directly From TLC Slides. A Powerful Tool for Rapid Analysis of Organic Mixtures.\n \n \n \n\n\n \n Smith, N. J.; Domin, M. A.; and Scott, L. T.\n\n\n \n\n\n\n Organic Letters, 10(16): 3493–3496. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{smith_hrms_2008,\n\ttitle = {{HRMS} {Directly} {From} {TLC} {Slides}. {A} {Powerful} {Tool} for {Rapid} {Analysis} of {Organic} {Mixtures}},\n\tvolume = {10},\n\tissn = {1523-7060},\n\tabstract = {Abstract: High-resolution mass spectra (HRMS) of individual spots on thin-layer chromatography (TLC) slides can now be obtained quickly and easily at atmospheric pressure, with zero sample preparation, using commercially available instrumentation. The method is complementary to GC mass spectrometry but is not limited to compounds of high volatility and high thermal stability. TLC HRMS can be used to monitor chemical reactions in real time and has the capacity thereby to accelerate significantly the pace of synthetic organic chemistry.},\n\tnumber = {16},\n\tjournal = {Organic Letters},\n\tauthor = {Smith, Natalie J. and Domin, Marek A. and Scott, Lawrence T.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {3493--3496},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Abstract: High-resolution mass spectra (HRMS) of individual spots on thin-layer chromatography (TLC) slides can now be obtained quickly and easily at atmospheric pressure, with zero sample preparation, using commercially available instrumentation. The method is complementary to GC mass spectrometry but is not limited to compounds of high volatility and high thermal stability. TLC HRMS can be used to monitor chemical reactions in real time and has the capacity thereby to accelerate significantly the pace of synthetic organic chemistry.\n
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\n \n\n \n \n \n \n \n Implementation of DART and DESI Ionization on a Fieldable Mass Spectrometer.\n \n \n \n\n\n \n Wells, J. M.; Roth, M. J.; Keil, A. D.; Grossenbacher, J. W.; Justes, D. R.; Patterson, G. E.; and Barket Jr., D. J.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 19(10): 1419–1424. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{wells_implementation_2008,\n\ttitle = {Implementation of {DART} and {DESI} {Ionization} on a {Fieldable} {Mass} {Spectrometer}},\n\tvolume = {19},\n\tdoi = {10.1016/j.jasms.2008.06.028},\n\tabstract = {A recently developed prototype mobile laboratory mass spectrometer, incorporating an atmospheric pressure ionization (API) interface, is described. This system takes advantage of the small size, lower voltage requirements, and tandem MS abilities of the cylindrical ion trap mass analyzer. The prototype API MS uses small, low-power pumps to fit into a 0.1-m3 self-contained package weighing less than 45 kg. This instrument has been adapted to allow rapid interfacing to electrospray ionization, desorption electrospray ionization, and direct analysis in real-time sources. Initial data indicate that these techniques provide rapid detection and identification of compounds for quality control, homeland security, and forensic applications. In addition, this instrument is self-contained and compact, making it ideally extensible to mobile laboratory and field analyses. Initial MS and MS/MS data for analyses of drugs, food, and explosives are presented herein.},\n\tnumber = {10},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Wells, J. Mitchell and Roth, Michael J. and Keil, Adam D. and Grossenbacher, John W. and Justes, Dina R. and Patterson, Garth E. and Barket Jr., Dennis J.},\n\tyear = {2008},\n\tkeywords = {Griffin},\n\tpages = {1419--1424},\n}\n\n\n\n
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\n A recently developed prototype mobile laboratory mass spectrometer, incorporating an atmospheric pressure ionization (API) interface, is described. This system takes advantage of the small size, lower voltage requirements, and tandem MS abilities of the cylindrical ion trap mass analyzer. The prototype API MS uses small, low-power pumps to fit into a 0.1-m3 self-contained package weighing less than 45 kg. This instrument has been adapted to allow rapid interfacing to electrospray ionization, desorption electrospray ionization, and direct analysis in real-time sources. Initial data indicate that these techniques provide rapid detection and identification of compounds for quality control, homeland security, and forensic applications. In addition, this instrument is self-contained and compact, making it ideally extensible to mobile laboratory and field analyses. Initial MS and MS/MS data for analyses of drugs, food, and explosives are presented herein.\n
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\n \n\n \n \n \n \n \n Analysis of cell cultures of Taxus wallichiana using direct analysis in real-time mass spectrometric technique.\n \n \n \n\n\n \n Banerjee, S.; Madhusudanan, K. P.; Khanuja, S. P. S.; and Chattopadhyay, S. K.\n\n\n \n\n\n\n Biomedical Chromatography, 22(3): 250–253. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{banerjee_analysis_2008,\n\ttitle = {Analysis of cell cultures of {Taxus} wallichiana using direct analysis in real-time mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the calli of Taxus wallichiana. The intact callus samples were directly analyzed by holding them in the gap between the DART source and mass spectrometer for measurements. Five C-14 oxygenated taxoids were characterized from the analysis of the calli of the Taxus wallichiana almost instantaneously. The confirmation of the structures of the identified taxoids was made through their accurate molecular formula determinations.},\n\tnumber = {3},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Banerjee, Suchitra and Madhusudanan, K. P. and Khanuja, Suman P. S. and Chattopadhyay, Sunil K.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {250--253},\n}\n\n\n\n\n\n\n\n
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\n The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the calli of Taxus wallichiana. The intact callus samples were directly analyzed by holding them in the gap between the DART source and mass spectrometer for measurements. Five C-14 oxygenated taxoids were characterized from the analysis of the calli of the Taxus wallichiana almost instantaneously. The confirmation of the structures of the identified taxoids was made through their accurate molecular formula determinations.\n
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\n \n\n \n \n \n \n \n GC–TOF-MS and DART–TOF-MS: Challenges in the Analysis of Soft Drinks.\n \n \n \n\n\n \n Cajka, T.; Vaclavik, L.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n LC/GC Europe, 21(5): 250–256. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cajka_gctof-ms_2008,\n\ttitle = {{GC}–{TOF}-{MS} and {DART}–{TOF}-{MS}: {Challenges} in the {Analysis} of {Soft} {Drinks}.},\n\tvolume = {21},\n\tabstract = {The potential of the time-of-flight mass spectrometry (TOF-MS) to innovate the analysis of soft drinks is described using gas chromatography (GC) hyphenated to TOF-MS and a new type of ion source, direct analysis in real time (DART), coupled to high-resolution TOF-MS. Head-space solid-phase microextraction (SPME) was used to isolate/extract volatile compounds followed by GC–TOF-MS to identify tainted compound in contaminated soft drinks. Direct analysis in real time–time-of-flight mass spectrometry (DART–TOF-MS) was also used to obtain negative and positive ion profiles of different soft drinks to determine the presence of various compounds, including antimicrobial preservatives, artificial sweeteners, acidulants and saccharides, without any sample preparation and chromatographic separation.},\n\tnumber = {5},\n\tjournal = {LC/GC Europe},\n\tauthor = {Cajka, T. and Vaclavik, L. and Riddellova, K. and Hajslova, J.},\n\tyear = {2008},\n\tkeywords = {AccuTOF; GC x GC; Leco Pegasus},\n\tpages = {250--256},\n}\n\n\n\n
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\n The potential of the time-of-flight mass spectrometry (TOF-MS) to innovate the analysis of soft drinks is described using gas chromatography (GC) hyphenated to TOF-MS and a new type of ion source, direct analysis in real time (DART), coupled to high-resolution TOF-MS. Head-space solid-phase microextraction (SPME) was used to isolate/extract volatile compounds followed by GC–TOF-MS to identify tainted compound in contaminated soft drinks. Direct analysis in real time–time-of-flight mass spectrometry (DART–TOF-MS) was also used to obtain negative and positive ion profiles of different soft drinks to determine the presence of various compounds, including antimicrobial preservatives, artificial sweeteners, acidulants and saccharides, without any sample preparation and chromatographic separation.\n
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\n \n\n \n \n \n \n \n \n Characterization of “Yaa Chud” Medicine on the Thailand–Myanmar Border: Selecting for Drug-resistant Malaria and Threatening Public Health.\n \n \n \n \n\n\n \n Newton, P. N.; Hampton, C. Y.; Alter-Hall, K.; Teerwarakulpana, T.; Prakongpan, S.; Ruangveerayuth, R.; White, N. J.; Day, N. P. J.; Tudino, M. B.; Mancuso, N.; and Fernández, F. M.\n\n\n \n\n\n\n The American Journal of Tropical Medicine and Hygiene, 79(5): 662 –669. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{newton_characterization_2008,\n\ttitle = {Characterization of “{Yaa} {Chud}” {Medicine} on the {Thailand}–{Myanmar} {Border}: {Selecting} for {Drug}-resistant {Malaria} and {Threatening} {Public} {Health}},\n\tvolume = {79},\n\turl = {http://www.ajtmh.org/content/79/5/662.abstract},\n\tabstract = {Multidrug-resistant Plasmodium falciparum malaria is a severe public health problem on the Thailand–Myanmar border. Many villagers buy packets of 4–5 mixed medicines (“yaa chud”) from shops without medical assessment as their first-line malaria treatment. In 2000–2001 a local researcher purchased 50 yaa chud from 44 shops around Mae Sot, Thailand and Myawaddy, Myanmar (Burma), for his wife who was said to be pregnant with fever and drowsiness. The tablets/capsules were provisionally identified by appearance and active ingredients determined in a subset by using mass and atomic spectrometry. The most frequently detected active ingredients were acetaminophen (22\\%), chlorpheniramine (13.4\\%), chloroquine (12.6\\%), tetracycline/doxycycline (11.4\\%), and quinine (5.1\\%). Only seven bags contained potentially curative medicine for malaria. A total of 82\\% of the bags contained medicines contraindicated in pregnancy. Inappropriate, ineffective antimalarial drugs on the Thailand–Myanmar border are likely to increase malaria morbidity, mortality and health costs and engender the emergence and spread of antimalarial drug resistance.},\n\tnumber = {5},\n\tjournal = {The American Journal of Tropical Medicine and Hygiene},\n\tauthor = {Newton, Paul N. and Hampton, Christina Y. and Alter-Hall, Krystyn and Teerwarakulpana, Thanongsak and Prakongpan, Sompol and Ruangveerayuth, Ronnatrai and White, Nicholas J. and Day, Nicholas P. J. and Tudino, Mabel B. and Mancuso, Natalia and Fernández, Facundo M.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {662 --669},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Multidrug-resistant Plasmodium falciparum malaria is a severe public health problem on the Thailand–Myanmar border. Many villagers buy packets of 4–5 mixed medicines (“yaa chud”) from shops without medical assessment as their first-line malaria treatment. In 2000–2001 a local researcher purchased 50 yaa chud from 44 shops around Mae Sot, Thailand and Myawaddy, Myanmar (Burma), for his wife who was said to be pregnant with fever and drowsiness. The tablets/capsules were provisionally identified by appearance and active ingredients determined in a subset by using mass and atomic spectrometry. The most frequently detected active ingredients were acetaminophen (22%), chlorpheniramine (13.4%), chloroquine (12.6%), tetracycline/doxycycline (11.4%), and quinine (5.1%). Only seven bags contained potentially curative medicine for malaria. A total of 82% of the bags contained medicines contraindicated in pregnancy. Inappropriate, ineffective antimalarial drugs on the Thailand–Myanmar border are likely to increase malaria morbidity, mortality and health costs and engender the emergence and spread of antimalarial drug resistance.\n
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\n \n\n \n \n \n \n \n \n Planar Chromatography - Back to the future?.\n \n \n \n \n\n\n \n Morlock, G.; and Schwack, W.\n\n\n \n\n\n\n LC/GC Europe, (21): 366–371. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"PlanarPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{morlock_planar_2008,\n\ttitle = {Planar {Chromatography} - {Back} to the future?},\n\turl = {http://chromatographyonline.findanalytichem.com/lcgc/article/articleDetail.jsp?id=531582&pageID=1&sk=&date=},\n\tabstract = {The importance of planar chromatography, particularly thin layer chromatography (TLC), is vastly underestimated. This article highlights\nthe unique attributes of high performance thin layer chromatography (HPTLC) compared with rival column techniques. Two advanced\napplications in planar chromatography are described to illustrate the potential of this technique: bioactivity-based detection and coupling\nwith mass spectrometry (MS).},\n\tnumber = {21},\n\tjournal = {LC/GC Europe},\n\tauthor = {Morlock, G. and Schwack, W.},\n\tyear = {2008},\n\tkeywords = {Thermo LTQ},\n\tpages = {366--371},\n}\n\n\n\n
\n
\n\n\n
\n The importance of planar chromatography, particularly thin layer chromatography (TLC), is vastly underestimated. This article highlights the unique attributes of high performance thin layer chromatography (HPTLC) compared with rival column techniques. Two advanced applications in planar chromatography are described to illustrate the potential of this technique: bioactivity-based detection and coupling with mass spectrometry (MS).\n
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\n \n\n \n \n \n \n \n An Integrated Wipe Sample Transport/Autosampler to Maximize Throughput for a Direct Analysis in Real Time (DART)/Orthogonal Acceleration, Time-of-Flight Mass Spectrometer (oa-TOFMS).\n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Environmental Forensics, 9(2): 137 – 143. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_integrated_2008,\n\ttitle = {An {Integrated} {Wipe} {Sample} {Transport}/{Autosampler} to {Maximize} {Throughput} for a {Direct} {Analysis} in {Real} {Time} ({DART})/{Orthogonal} {Acceleration}, {Time}-of-{Flight} {Mass} {Spectrometer} (oa-{TOFMS})},\n\tvolume = {9},\n\tissn = {1527-5922},\n\tabstract = {A wipe sample transport was designed and built to meet two objectives: to simplify collection, storage, and transport of cotton swab wipe samples and to provide a sample train of 72 wipe samples nearly ready for analysis when the swabs reach the laboratory. The cotton swabs are mounted on an Al rod that is the sample support for an autosampler used to perform direct analysis in real time (DART)/orthogonal acceleration, time-of-flight mass spectrometry (oa-TOFMS) analyses. The goal is for one analyst to analyze 1000 wipe samples mounted on 14 Al rods in one 8-h shift.},\n\tnumber = {2},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, Andrew H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {137 -- 143},\n}\n\n\n\n
\n
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\n A wipe sample transport was designed and built to meet two objectives: to simplify collection, storage, and transport of cotton swab wipe samples and to provide a sample train of 72 wipe samples nearly ready for analysis when the swabs reach the laboratory. The cotton swabs are mounted on an Al rod that is the sample support for an autosampler used to perform direct analysis in real time (DART)/orthogonal acceleration, time-of-flight mass spectrometry (oa-TOFMS) analyses. The goal is for one analyst to analyze 1000 wipe samples mounted on 14 Al rods in one 8-h shift.\n
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\n \n\n \n \n \n \n \n A Collaborative Epidemiological Investigation into the Criminal Fake Artesunate Trade in South East Asia.\n \n \n \n\n\n \n Newton, P. N.; Fernandez, F. M.; Plancon, A.; Mildenhall, D. C.; Green, M. D.; Ziyong, L.; Christophel, E. M.; Phanouvong, S.; Howells, S.; McIntosh, E.; Laurin, P.; Blum, N.; Hampton, C. Y.; Faure, K.; Nyadong, L.; Soong, C. W. R.; Santoso, B.; Zhiguang, W.; Newton, J.; and Palmer, K.\n\n\n \n\n\n\n PLoS Medicine, 5(2): e32. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{newton_collaborative_2008,\n\ttitle = {A {Collaborative} {Epidemiological} {Investigation} into the {Criminal} {Fake} {Artesunate} {Trade} in {South} {East} {Asia}},\n\tvolume = {5},\n\tabstract = {BackgroundSince 1998 the serious public health problem in South East Asia of counterfeit artesunate, containing no or subtherapeutic amounts of the active antimalarial ingredient, has led to deaths from untreated malaria, reduced confidence in this vital drug, large economic losses for the legitimate manufacturers, and concerns that artemisinin resistance might be engendered.Methods and FindingsWith evidence of a deteriorating situation, a group of police, criminal analysts, chemists, palynologists, and health workers collaborated to determine the source of these counterfeits under the auspices of the International Criminal Police Organization (INTERPOL) and the Western Pacific World Health Organization Regional Office. A total of 391 samples of genuine and counterfeit artesunate collected in Vietnam (75), Cambodia (48), Lao PDR (115), Myanmar (Burma) (137) and the Thai/Myanmar border (16), were available for analysis. Sixteen different fake hologram types were identified. High-performance liquid chromatography and/or mass spectrometry confirmed that all specimens thought to be counterfeit (195/391, 49.9\\%) on the basis of packaging contained no or small quantities of artesunate (up to 12 mg per tablet as opposed to ∼ 50 mg per genuine tablet). Chemical analysis demonstrated a wide diversity of wrong active ingredients, including banned pharmaceuticals, such as metamizole, and safrole, a carcinogen, and raw material for manufacture of methylenedioxymethamphetamine (‘ecstasy'). Evidence from chemical, mineralogical, biological, and packaging analysis suggested that at least some of the counterfeits were manufactured in southeast People's Republic of China. This evidence prompted the Chinese Government to act quickly against the criminal traders with arrests and seizures.ConclusionsAn international multi-disciplinary group obtained evidence that some of the counterfeit artesunate was manufactured in China, and this prompted a criminal investigation. International cross-disciplinary collaborations may be appropriate in the investigation of other serious counterfeit medicine public health problems elsewhere, but strengthening of international collaborations and forensic and drug regulatory authority capacity will be required.},\n\tnumber = {2},\n\tjournal = {PLoS Medicine},\n\tauthor = {Newton, Paul N. and Fernandez, Facundo M. and Plancon, Aline and Mildenhall, Dallas C. and Green, Michael D. and Ziyong, Li and Christophel, Eva Maria and Phanouvong, Souly and Howells, Stephen and McIntosh, Eric and Laurin, Paul and Blum, Nancy and Hampton, Christina Y. and Faure, Kevin and Nyadong, Leonard and Soong, C. W. Ray and Santoso, Budiono and Zhiguang, Wang and Newton, John and Palmer, Kevin},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {e32},\n}\n\n\n\n
\n
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\n BackgroundSince 1998 the serious public health problem in South East Asia of counterfeit artesunate, containing no or subtherapeutic amounts of the active antimalarial ingredient, has led to deaths from untreated malaria, reduced confidence in this vital drug, large economic losses for the legitimate manufacturers, and concerns that artemisinin resistance might be engendered.Methods and FindingsWith evidence of a deteriorating situation, a group of police, criminal analysts, chemists, palynologists, and health workers collaborated to determine the source of these counterfeits under the auspices of the International Criminal Police Organization (INTERPOL) and the Western Pacific World Health Organization Regional Office. A total of 391 samples of genuine and counterfeit artesunate collected in Vietnam (75), Cambodia (48), Lao PDR (115), Myanmar (Burma) (137) and the Thai/Myanmar border (16), were available for analysis. Sixteen different fake hologram types were identified. High-performance liquid chromatography and/or mass spectrometry confirmed that all specimens thought to be counterfeit (195/391, 49.9%) on the basis of packaging contained no or small quantities of artesunate (up to 12 mg per tablet as opposed to ∼ 50 mg per genuine tablet). Chemical analysis demonstrated a wide diversity of wrong active ingredients, including banned pharmaceuticals, such as metamizole, and safrole, a carcinogen, and raw material for manufacture of methylenedioxymethamphetamine (‘ecstasy'). Evidence from chemical, mineralogical, biological, and packaging analysis suggested that at least some of the counterfeits were manufactured in southeast People's Republic of China. This evidence prompted the Chinese Government to act quickly against the criminal traders with arrests and seizures.ConclusionsAn international multi-disciplinary group obtained evidence that some of the counterfeit artesunate was manufactured in China, and this prompted a criminal investigation. International cross-disciplinary collaborations may be appropriate in the investigation of other serious counterfeit medicine public health problems elsewhere, but strengthening of international collaborations and forensic and drug regulatory authority capacity will be required.\n
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\n \n\n \n \n \n \n \n Expression of tropane alkaloids in the hairy root culture of Atropa acuminata substantiated by DART mass spectrometric technique.\n \n \n \n\n\n \n Banerjee, S.; Madhusudanan, K. P.; Chattopadhyay, S. K.; Rahman, L. U.; and Khanuja, S. P. S.\n\n\n \n\n\n\n Biomedical Chromatography, 22(8): 830–834. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{banerjee_expression_2008,\n\ttitle = {Expression of tropane alkaloids in the hairy root culture of {Atropa} acuminata substantiated by {DART} mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {Agrobacterium rhizogenes-mediated hairy root cultures were established in Atropa acuminata. The chemical profiling of the hairy roots was carried out by a new mass spectrometric technique, direct analysis in real time (DART). The intact hairy roots were directly analyzed by holding them in the gap between the DART ion source and mass spectrometer. Two alkaloids, atropine and scopolamine, were characterized. The structural confirmation of the two alkaloids was made through their accurate molecular formula determinations. This is the first report of establishing hairy roots in A. acuminata as well as application of the DART technique for the chemical profiling of its hairy roots.},\n\tnumber = {8},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Banerjee, Suchitra and Madhusudanan, K. P. and Chattopadhyay, Sunil K. and Rahman, Laiq Ur and Khanuja, Suman P. S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {830--834},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Agrobacterium rhizogenes-mediated hairy root cultures were established in Atropa acuminata. The chemical profiling of the hairy roots was carried out by a new mass spectrometric technique, direct analysis in real time (DART). The intact hairy roots were directly analyzed by holding them in the gap between the DART ion source and mass spectrometer. Two alkaloids, atropine and scopolamine, were characterized. The structural confirmation of the two alkaloids was made through their accurate molecular formula determinations. This is the first report of establishing hairy roots in A. acuminata as well as application of the DART technique for the chemical profiling of its hairy roots.\n
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\n \n\n \n \n \n \n \n \n Analysis of Deoxynivalenol in Beer.\n \n \n \n \n\n\n \n Hajslova, J.; Vaclavik, L.; Cajka, T.; Poustka, J.; and Schurek, J.\n\n\n \n\n\n\n 2008.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@misc{hajslova_analysis_2008,\n\ttitle = {Analysis of {Deoxynivalenol} in {Beer}},\n\turl = {http://chromatographyonline.findanalytichem.com/lcgc/Articles/Analysis-of-Deoxynivalenol-in-Beer/ArticleStandard/Article/detail/547873},\n\tjournal = {LCGC: Chromatography Online},\n\tauthor = {Hajslova, Jana and Vaclavik, Lukas and Cajka, Tomas and Poustka, Jan and Schurek, Jakub},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Analytical Strategy for Rapid Identification and Quantification of Lubricant Additives in Mineral Oil by High-Performance Thin-Layer Chromatography with UV Absorption and Fluorescence Detection Combined with Mass Spectrometry and Infrared Spectroscopy.\n \n \n \n\n\n \n Dytkiewitz, E.; and Morlock, G. E.\n\n\n \n\n\n\n Journal of AOAC International, 91(5): 1237–1244. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{dytkiewitz_analytical_2008,\n\ttitle = {Analytical {Strategy} for {Rapid} {Identification} and {Quantification} of {Lubricant} {Additives} in {Mineral} {Oil} by {High}-{Performance} {Thin}-{Layer} {Chromatography} with {UV} {Absorption} and {Fluorescence} {Detection} {Combined} with {Mass} {Spectrometry} and {Infrared} {Spectroscopy}},\n\tvolume = {91},\n\tabstract = {A simple strategy for identification and quantification of lubricant additives in mineral oil was demonstrated by high-performance thin-layer chromatography with UV absorption and fluorescence detection using various coupling options, e.g., with attenuated total reflectance infrared (ATR-IR) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, electrospray ionization mass spectrometry (ESI-MS), and direct analysis in real-time mass spectrometry (DART-MS). For the additives zinc bis(O,O'-diisobutyl dithiophosphate), zinc bis(O,O'-didodecyl dithiophosphate), and Anglamol 99®, 2 chromatographic systems were developed, i.e., a reversed-phase (RP) system on RP2 plates using an acetonitrile-based mobile phase and a normal-phase system on silica gel 60 plates using a toluene-based gradient. Densitometry was performed by absorption measurement at 220 nm. Repeatabilities (relative standard deviation, n = 6) between 2.2 and 5.5\\% and correlation coefficients {\\textgreater}0.9973 were highly satisfactory for the analysis of these additives in the mineral oil. Primuline reagent was used to improve the detection limit of the lipophilic additives by a factor of 2, followed by fluorescence measurement at UV 366/{\\textgreater}400 nm. For rapid identification by ATR-IR and FTIR, the respective additive zones on the plate were online extracted by an interface called ChromeXtract, concentrated, and directly applied for measurements in the wave number range of 4000–400 cm−1. Identification was confirmed by online ESI-MS within a minute using ChromeXtract and by DART-MS within seconds.},\n\tnumber = {5},\n\tjournal = {Journal of AOAC International},\n\tauthor = {Dytkiewitz, Elisabeth and Morlock, Gertrud E.},\n\tyear = {2008},\n\tkeywords = {Agilent Quad},\n\tpages = {1237--1244},\n}\n\n\n\n
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\n A simple strategy for identification and quantification of lubricant additives in mineral oil was demonstrated by high-performance thin-layer chromatography with UV absorption and fluorescence detection using various coupling options, e.g., with attenuated total reflectance infrared (ATR-IR) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, electrospray ionization mass spectrometry (ESI-MS), and direct analysis in real-time mass spectrometry (DART-MS). For the additives zinc bis(O,O'-diisobutyl dithiophosphate), zinc bis(O,O'-didodecyl dithiophosphate), and Anglamol 99®, 2 chromatographic systems were developed, i.e., a reversed-phase (RP) system on RP2 plates using an acetonitrile-based mobile phase and a normal-phase system on silica gel 60 plates using a toluene-based gradient. Densitometry was performed by absorption measurement at 220 nm. Repeatabilities (relative standard deviation, n = 6) between 2.2 and 5.5% and correlation coefficients \\textgreater0.9973 were highly satisfactory for the analysis of these additives in the mineral oil. Primuline reagent was used to improve the detection limit of the lipophilic additives by a factor of 2, followed by fluorescence measurement at UV 366/\\textgreater400 nm. For rapid identification by ATR-IR and FTIR, the respective additive zones on the plate were online extracted by an interface called ChromeXtract, concentrated, and directly applied for measurements in the wave number range of 4000–400 cm−1. Identification was confirmed by online ESI-MS within a minute using ChromeXtract and by DART-MS within seconds.\n
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\n \n\n \n \n \n \n \n Solvent Effect on the Self-Assembled Structure of an Amphiphilic Perylene Diimide Derivative.\n \n \n \n\n\n \n Yang, X.; Xu, X.; and Ji, H.\n\n\n \n\n\n\n Journal of Physical Chemistry B, 112: 7196–7202. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{yang_solvent_2008,\n\ttitle = {Solvent {Effect} on the {Self}-{Assembled} {Structure} of an {Amphiphilic} {Perylene} {Diimide} {Derivative}},\n\tvolume = {112},\n\tdoi = {10.1021/jp801413k},\n\tabstract = {An amphiphilic electron-deficient (n-type) perylene diimide has been synthesized and characterized. The diimide\ncontains a hydrophobic long chain on one end and a hydrophilic ethoxy chain on the other. The self-assembly\nof this molecule in polar and nonpolar solvents has been demonstrated by concentration- and temperaturedependent\nabsorption and fluorescence spectroscopies. Analysis of the spectral change for the aggregates\nshows typical J-aggregates for structures precipitated from polar solvents and H-aggregates for structures\nprecipitated from nonpolar solvents. SEM and TEM micrographs and a suggested packing scheme, compatible\nwith the formation of nanostrips in nonpolar solvents and nanofibers in polar solvents, are presented.},\n\tjournal = {Journal of Physical Chemistry B},\n\tauthor = {Yang, Xin and Xu, Xiaohe and Ji, Hai-Feng},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {7196--7202},\n}\n\n\n\n
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\n An amphiphilic electron-deficient (n-type) perylene diimide has been synthesized and characterized. The diimide contains a hydrophobic long chain on one end and a hydrophilic ethoxy chain on the other. The self-assembly of this molecule in polar and nonpolar solvents has been demonstrated by concentration- and temperaturedependent absorption and fluorescence spectroscopies. Analysis of the spectral change for the aggregates shows typical J-aggregates for structures precipitated from polar solvents and H-aggregates for structures precipitated from nonpolar solvents. SEM and TEM micrographs and a suggested packing scheme, compatible with the formation of nanostrips in nonpolar solvents and nanofibers in polar solvents, are presented.\n
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\n \n\n \n \n \n \n \n Flammable Solvent Detection Directly from Common Household Materials Yields Differential Results: An Application of Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n\n\n \n Coates, C.; Coticone, S.; Barreto, P.; Cobb, A.; Cody, R.; and Barreto, J.\n\n\n \n\n\n\n Journal of Forensic Identification, 58(6): 624 –631. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{coates_flammable_2008,\n\ttitle = {Flammable {Solvent} {Detection} {Directly} from {Common} {Household} {Materials} {Yields} {Differential} {Results}: {An} {Application} of {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}.},\n\tvolume = {58},\n\tabstract = {In this study, we report the analysis of volatile flammable solvents present on common household materials by employing a mass spectrometric technique that incorporates a novel ion source: direct analysis in real time (DART). We used the new ionization method to directly volatilize and ionize a solvent sample, which was then sent to a high-resolution mass spectrometer. We analyzed two common flammable solvents, gasoline and paint thinner, directly from cotton, drywall, and nylon materials. DART sampling occurs directly from the chemical matrix of the common household materials, with no sample preparation needed. Cotton swabs containing solvents, gasoline, and paint thinner produced characteristic signature peaks. In addition, different substrates (cotton, nylon, and drywall) containing gasoline and paint thinner were tested to determine the possibility of detecting aromatic and aliphatic solvents from a complex chemical matrix using DART technology. Specifically, we discovered that nylon was a poor substrate for DART detection of gasoline, with the entire signal disappearing in only two hours. Surprisingly, DART easily detected paint thinner on nylon even after 16 hours. Notably, DART was effective in all other cases, detecting both paint thinner and gasoline over a 0- to 16-hour period on cotton and drywall substrates. We conclude that DART sample detection directly from household materials is not simply a matter of vapor pressure; instead, direct DART detection probably dependent on a complex interaction involving adsorption effects or matrix effects on the ionization mechanism of the flammable solvents. We demonstrate and report a potentially simple, powerful, and useful alternative to traditional mass spectrometric analysis.},\n\tnumber = {6},\n\tjournal = {Journal of Forensic Identification},\n\tauthor = {Coates, C.M. and Coticone, S. and Barreto, P.D. and Cobb, A.E. and Cody, R.B. and Barreto, J.C.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {624 --631},\n}\n\n\n\n
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\n In this study, we report the analysis of volatile flammable solvents present on common household materials by employing a mass spectrometric technique that incorporates a novel ion source: direct analysis in real time (DART). We used the new ionization method to directly volatilize and ionize a solvent sample, which was then sent to a high-resolution mass spectrometer. We analyzed two common flammable solvents, gasoline and paint thinner, directly from cotton, drywall, and nylon materials. DART sampling occurs directly from the chemical matrix of the common household materials, with no sample preparation needed. Cotton swabs containing solvents, gasoline, and paint thinner produced characteristic signature peaks. In addition, different substrates (cotton, nylon, and drywall) containing gasoline and paint thinner were tested to determine the possibility of detecting aromatic and aliphatic solvents from a complex chemical matrix using DART technology. Specifically, we discovered that nylon was a poor substrate for DART detection of gasoline, with the entire signal disappearing in only two hours. Surprisingly, DART easily detected paint thinner on nylon even after 16 hours. Notably, DART was effective in all other cases, detecting both paint thinner and gasoline over a 0- to 16-hour period on cotton and drywall substrates. We conclude that DART sample detection directly from household materials is not simply a matter of vapor pressure; instead, direct DART detection probably dependent on a complex interaction involving adsorption effects or matrix effects on the ionization mechanism of the flammable solvents. We demonstrate and report a potentially simple, powerful, and useful alternative to traditional mass spectrometric analysis.\n
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\n \n\n \n \n \n \n \n Recent developments in ambient ionization techniques for analytical mass spectrometry.\n \n \n \n\n\n \n Harris, G. A.; Nyadong, L.; and Fernandez, F. M.\n\n\n \n\n\n\n Analyst, 133: 1297–1301. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{harris_recent_2008,\n\ttitle = {Recent developments in ambient ionization techniques for analytical mass spectrometry},\n\tvolume = {133},\n\tdoi = {DOI: 10.1039/b806810k},\n\tabstract = {Ambient ionization techniques enable the interrogation of a variety of samples in their native state by mass spectrometry, and are rapidly advancing all fields where screening for the presence of various analytes in a broadband and/or high-throughput fashion is desirable. This Highlight article provides an introduction to the field, and showcases the different ionization approaches reported since 2004, with an emphasis on themost recent developments.},\n\tjournal = {Analyst},\n\tauthor = {Harris, Glenn A. and Nyadong, Leonard and Fernandez, Facundo M.},\n\tyear = {2008},\n\tkeywords = {review; AccuTOF},\n\tpages = {1297--1301},\n}\n\n\n\n
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\n\n\n
\n Ambient ionization techniques enable the interrogation of a variety of samples in their native state by mass spectrometry, and are rapidly advancing all fields where screening for the presence of various analytes in a broadband and/or high-throughput fashion is desirable. This Highlight article provides an introduction to the field, and showcases the different ionization approaches reported since 2004, with an emphasis on themost recent developments.\n
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\n \n\n \n \n \n \n \n Analysis of hairy root culture of Rauvolfia serpentina using direct analysis in real time mass spectrometric technique.\n \n \n \n\n\n \n Madhusudanan, K. P.; Banerjee, S.; Khanuja, S. P. S.; and Chattopadhyay, S. K.\n\n\n \n\n\n\n Biomedical Chromatography, 22(6): 596–600. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{madhusudanan_analysis_2008,\n\ttitle = {Analysis of hairy root culture of {Rauvolfia} serpentina using direct analysis in real time mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the hairy root culture of Rauvolfia serpentina. The intact hairy roots were analyzed by holding them in the gap between the DART source and the mass spectrometer for measurements. Two nitrogen-containing compounds, vomilenine and reserpine, were characterized from the analysis of the hairy roots almost instantaneously. The confirmation of the structures of the identified compounds was made through their accurate molecular formula determinations. This is the first report of the application of DART technique for the characterization of compounds that are expressed in the hairy root cultures of Rauvolfia serpentina. Moreover, this also constitutes the first report of expression of reserpine in the hairy root culture of Rauvolfia serpentina.},\n\tnumber = {6},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Madhusudanan, K. P. and Banerjee, Suchitra and Khanuja, Suman P. S. and Chattopadhyay, Sunil K.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {596--600},\n}\n\n\n\n
\n
\n\n\n
\n The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the hairy root culture of Rauvolfia serpentina. The intact hairy roots were analyzed by holding them in the gap between the DART source and the mass spectrometer for measurements. Two nitrogen-containing compounds, vomilenine and reserpine, were characterized from the analysis of the hairy roots almost instantaneously. The confirmation of the structures of the identified compounds was made through their accurate molecular formula determinations. This is the first report of the application of DART technique for the characterization of compounds that are expressed in the hairy root cultures of Rauvolfia serpentina. Moreover, this also constitutes the first report of expression of reserpine in the hairy root culture of Rauvolfia serpentina.\n
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\n \n\n \n \n \n \n \n An Autosampler and Field Sample Carrier for Maximizing Throughput Using an Open-Air Source for MS.\n \n \n \n\n\n \n Grange, A.\n\n\n \n\n\n\n American Laboratory, 40(16): 11–13. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_autosampler_2008,\n\ttitle = {An {Autosampler} and {Field} {Sample} {Carrier} for {Maximizing} {Throughput} {Using} an {Open}-{Air} {Source} for {MS}},\n\tvolume = {40},\n\tnumber = {16},\n\tjournal = {American Laboratory},\n\tauthor = {Grange, A.H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {11--13},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Pharmacokinetics of Cyanidin and Anti-Influenza Phytonutrients in an Elder Berry Extract Determined by LC-MS and DART TOF-MS.\n \n \n \n\n\n \n Roschek Jr., B.; and Alberte, R.\n\n\n \n\n\n\n Online Journal of Pharmacology and Pharmacokinetics, 4: 1–17. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{roschek_jr._pharmacokinetics_2008,\n\ttitle = {Pharmacokinetics of {Cyanidin} and {Anti}-{Influenza} {Phytonutrients} in an {Elder} {Berry} {Extract} {Determined} by {LC}-{MS} and {DART} {TOF}-{MS}},\n\tvolume = {4},\n\tjournal = {Online Journal of Pharmacology and Pharmacokinetics},\n\tauthor = {Roschek Jr., B. and Alberte, R.S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {1--17},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n Control of Strobilurin Fungicides in Wheat Using Direct Analysis in Real Time Accurate Time-of-Flight and Desorption Electrospray Ionization Linear Ion Trap Mass Spectrometry.\n \n \n \n\n\n \n Schurek, J.; Vaclavik, L.; Hooijerink, H.; Lacina, O.; Poustka, J.; Sharman, M.; Caldow, M.; Nielen, M. W. F.; and Hajslova, J.\n\n\n \n\n\n\n Analytical Chemistry, 80(24): 9567–9575. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{schurek_control_2008,\n\ttitle = {Control of {Strobilurin} {Fungicides} in {Wheat} {Using} {Direct} {Analysis} in {Real} {Time} {Accurate} {Time}-of-{Flight} and {Desorption} {Electrospray} {Ionization} {Linear} {Ion} {Trap} {Mass} {Spectrometry}},\n\tvolume = {80},\n\tdoi = {10.1021/ac8018137},\n\tabstract = {Ambient mass spectrometry has been used for the analysis of strobilurin residues in wheat. The use of this novel, challenging technique, employing a direct analysis in a real time (DART) ion-source coupled with a time-of-flight mass spectrometer (TOF MS) and a desorption electrospray ionization (DESI) source coupled with a linear ion trap tandem MS (LIT MSn), permitted a direct screen of the occurrence of target fungicides in treated grains in less than 1 min. For quantification purpose by DART-TOF MS, an ethyl acetate extract had to be prepared. With the use of a prochloraz as an internal standard, the performance characteristics obtained by repeated analyses of extract, spiked at 50 μg kg−1 with six strobilurins (azoxystrobin, picoxystrobin, dimoxystrobin, kresoxim-methyl, pyraclostrobin, and trifloxystrobin), were in the following range: recoveries 78−92\\%, repeatability (RSD) 8−15\\%, linearity (R2) 0.9900−0.9978. The analysis of wheat with incurred strobilurin residues demonstrated good trueness of data generated by the DART-TOF MS method; the results were in a good agreement with those obtained by the conventional approach, i.e., by the QuEChERS sample handling procedure followed by identification/quantification employing high-performance liquid chromatography coupled with tandem mass spectrometry (LC−MS/MS). Tandem mass spectrometry using DESI-LIT MSn provided a sufficient number of product ions for confirmation of the identity of azoxystrobin and pyraclostrobin in incurred wheat samples.},\n\tnumber = {24},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Schurek, Jakub and Vaclavik, Lukas and Hooijerink, H. and Lacina, Ondrej and Poustka, Jan and Sharman, Matthew and Caldow, Marianne and Nielen, Michel W. F. and Hajslova, Jana},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {9567--9575},\n}\n\n\n\n
\n
\n\n\n
\n Ambient mass spectrometry has been used for the analysis of strobilurin residues in wheat. The use of this novel, challenging technique, employing a direct analysis in a real time (DART) ion-source coupled with a time-of-flight mass spectrometer (TOF MS) and a desorption electrospray ionization (DESI) source coupled with a linear ion trap tandem MS (LIT MSn), permitted a direct screen of the occurrence of target fungicides in treated grains in less than 1 min. For quantification purpose by DART-TOF MS, an ethyl acetate extract had to be prepared. With the use of a prochloraz as an internal standard, the performance characteristics obtained by repeated analyses of extract, spiked at 50 μg kg−1 with six strobilurins (azoxystrobin, picoxystrobin, dimoxystrobin, kresoxim-methyl, pyraclostrobin, and trifloxystrobin), were in the following range: recoveries 78−92%, repeatability (RSD) 8−15%, linearity (R2) 0.9900−0.9978. The analysis of wheat with incurred strobilurin residues demonstrated good trueness of data generated by the DART-TOF MS method; the results were in a good agreement with those obtained by the conventional approach, i.e., by the QuEChERS sample handling procedure followed by identification/quantification employing high-performance liquid chromatography coupled with tandem mass spectrometry (LC−MS/MS). Tandem mass spectrometry using DESI-LIT MSn provided a sufficient number of product ions for confirmation of the identity of azoxystrobin and pyraclostrobin in incurred wheat samples.\n
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\n \n\n \n \n \n \n \n Cuticular hydrocarbon analysis of an awake behaving fly using direct analysis in real-time time-of-flight mass spectrometry.\n \n \n \n\n\n \n Yew, J. Y.; Cody, R. B.; and Kravitz, E. A.\n\n\n \n\n\n\n Proceedings of the National Academy of Sciences, 105(20): 7135–7140. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{yew_cuticular_2008,\n\ttitle = {Cuticular hydrocarbon analysis of an awake behaving fly using direct analysis in real-time time-of-flight mass spectrometry},\n\tvolume = {105},\n\tdoi = {10.1073/pnas.0802692105},\n\tabstract = {In mammals and insects, pheromones strongly influence social behaviors such as aggression and mate recognition. In , pheromones in the form of cuticular hydrocarbons play prominent roles in courtship. GC/MS is the primary analytical tool currently used to study cuticular hydrocarbons. Although GC/MS is highly reproducible and sensitive, it requires that the fly be placed in a lethal solution of organic solvent, thereby impeding further behavioral studies. We present a technique for the analysis of hydrocarbons and other surface molecules from live animals by using direct analysis in real-time (DART) MS. Cuticular hydrocarbons were sampled from the surface of a restrained, awake behaving fly by using several brief, carefully controlled depressions of the abdomen with a small steel probe. DART mass spectral analysis of the probe detected ions with mass-to-charge ratio (/) of the protonated molecule corresponding to many of the previously identified unsaturated hydrocarbons. Six additional cuticular hydrocarbons also were identified. Consistent with previous GC/MS studies, male and female differences in chemical composition were evident. Spatial differences in the expression profile also were observed on males. Sampling from an individual female first as a virgin and then 45 and 90 min after successful copulation showed that mass signals likely to correspond to -vaccenyl acetate, tricosene, and pentacosene increased in relative intensity after courtship. This method provides near-instantaneous analysis of an individual animal's chemical profile in parallel with behavioral studies and could be extended to other models of pheromone-mediated behavior.},\n\tnumber = {20},\n\tjournal = {Proceedings of the National Academy of Sciences},\n\tauthor = {Yew, Joanne Y. and Cody, Robert B. and Kravitz, Edward A.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {7135--7140},\n}\n\n\n\n
\n
\n\n\n
\n In mammals and insects, pheromones strongly influence social behaviors such as aggression and mate recognition. In , pheromones in the form of cuticular hydrocarbons play prominent roles in courtship. GC/MS is the primary analytical tool currently used to study cuticular hydrocarbons. Although GC/MS is highly reproducible and sensitive, it requires that the fly be placed in a lethal solution of organic solvent, thereby impeding further behavioral studies. We present a technique for the analysis of hydrocarbons and other surface molecules from live animals by using direct analysis in real-time (DART) MS. Cuticular hydrocarbons were sampled from the surface of a restrained, awake behaving fly by using several brief, carefully controlled depressions of the abdomen with a small steel probe. DART mass spectral analysis of the probe detected ions with mass-to-charge ratio (/) of the protonated molecule corresponding to many of the previously identified unsaturated hydrocarbons. Six additional cuticular hydrocarbons also were identified. Consistent with previous GC/MS studies, male and female differences in chemical composition were evident. Spatial differences in the expression profile also were observed on males. Sampling from an individual female first as a virgin and then 45 and 90 min after successful copulation showed that mass signals likely to correspond to -vaccenyl acetate, tricosene, and pentacosene increased in relative intensity after courtship. This method provides near-instantaneous analysis of an individual animal's chemical profile in parallel with behavioral studies and could be extended to other models of pheromone-mediated behavior.\n
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\n \n\n \n \n \n \n \n \n Detection of Chemical Warfare Agents on Surfaces Relevant to Homeland Security by Direct Analysis in Real-Time Spectrometry.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Connell, T.; and Nilles, J.\n\n\n \n\n\n\n American Laboratory, 40: 16–20. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{laramee_detection_2008,\n\ttitle = {Detection of {Chemical} {Warfare} {Agents} on {Surfaces} {Relevant} to {Homeland} {Security} by {Direct} {Analysis} in {Real}-{Time} {Spectrometry}.},\n\tvolume = {40},\n\turl = {http://www.americanlaboratory.com/913-Technical-Articles/757-Detection-of-Chemical-Warfare-Agents-on-Surfaces-Relevant-to-Homeland-Security-by-Direct-Analysis-in-Real-Time-Spectrometry/},\n\tabstract = {Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents, or that require solvent extraction, DART leaves the sample surface undisturbed.\n\nAnalysis of low-volatility, condensed-phase chemicals on surfaces has been an extremely difficult and long-standing objective in environmental monitoring. When target analytes possess picotorr vapor pressures, the problem of monitoring becomes formidable. As such, any noncontact sampling at atmospheric pressure that does not require solvents or wipes would be a technological breakthrough. In addition, the absence of sample preparation would allow extremely rapid analysis in time-critical situations. Today, such a technology is now available. It is known as Direct Analysis in Real Time1 or DART™ (JEOL USA, Inc., Peabody, MA).\n\nThe U.S. Army has been testing and developing DART since 2002 for the detection of chemical warfare agents on surfaces. Fast, safe, and accurate detection of chemical agents is critical for protection, security, and decision-making. Sample preparation is seldom a requirement with DART, since the contaminated surface is simply analyzed directly using a plume of gaseous Rydberg atoms. Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents,2 or that require solvent extraction, DART leaves the sample surface undisturbed. This is a forensically worthy advantage. Recent findings of chemical warfare agent detection on militarily relevant surfaces in Homeland Security is a new approach to Warfighter safety and},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D and Connell, T.R. and Nilles, J.M.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {16--20},\n}\n\n\n\n
\n
\n\n\n
\n Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents, or that require solvent extraction, DART leaves the sample surface undisturbed. Analysis of low-volatility, condensed-phase chemicals on surfaces has been an extremely difficult and long-standing objective in environmental monitoring. When target analytes possess picotorr vapor pressures, the problem of monitoring becomes formidable. As such, any noncontact sampling at atmospheric pressure that does not require solvents or wipes would be a technological breakthrough. In addition, the absence of sample preparation would allow extremely rapid analysis in time-critical situations. Today, such a technology is now available. It is known as Direct Analysis in Real Time1 or DART™ (JEOL USA, Inc., Peabody, MA). The U.S. Army has been testing and developing DART since 2002 for the detection of chemical warfare agents on surfaces. Fast, safe, and accurate detection of chemical agents is critical for protection, security, and decision-making. Sample preparation is seldom a requirement with DART, since the contaminated surface is simply analyzed directly using a plume of gaseous Rydberg atoms. Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents,2 or that require solvent extraction, DART leaves the sample surface undisturbed. This is a forensically worthy advantage. Recent findings of chemical warfare agent detection on militarily relevant surfaces in Homeland Security is a new approach to Warfighter safety and\n
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\n \n\n \n \n \n \n \n Automated determination of precursor ion, product ion, and neutral loss compositions and deconvolution of composite mass spectra using ion correlation based on exact masses and relative isotopic abundances.\n \n \n \n\n\n \n Grange, A. H.; and Sovocool, G. W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 22(15): 2375–2390. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_automated_2008,\n\ttitle = {Automated determination of precursor ion, product ion, and neutral loss compositions and deconvolution of composite mass spectra using ion correlation based on exact masses and relative isotopic abundances},\n\tvolume = {22},\n\tissn = {1097-0231},\n\tabstract = {After an accidental, deliberate, or weather-related dispersion of chemicals (dispersive event), rapid determination of elemental compositions of ions in mass spectra is essential for tentatively identifying compounds. A direct analysis in real time (DART)® ion source interfaced to a JEOL AccuTOF® mass spectrometer provided exact masses accurate to within 2 mDa for most ions in full scan mass spectra and relative isotopic abundances (RIAs) accurate to within 15-20\\% for abundant isotopic ions. To speed determination of the correct composition for precursor ions and most product ions and neutral losses, a three-part software suite was developed. Starting with text files of m/z ratios and their ion abundances from mass spectra acquired at low, moderate, and high collision energies, the ion extraction program (IEP) compiled lists for the most abundant monoisotopic ions of their exact masses and the RIAs of the +1 and +2 isotopic peaks when abundance thresholds were met; precursor ions; and higher-mass, precursor-related species. The ion correlation program (ICP) determined if a precursor ion composition could yield a product ion and corresponding neutral loss compositions for each product ion in turn. The input and output program (IOP) provided the ICP with each precursor ion:product ion pair for multiple sets of error limits and prepared correlation lists for single or multiple precursor ions. The software determined the correct precursor ion compositions for 21 individual standards and for three- and seven-component mixtures. Partial deconvolution of composite mass spectra was achieved based on exact masses and RIAs, rather than on chromatography. Published in 2008 by John Wiley \\& Sons, Ltd.},\n\tnumber = {15},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H. and Sovocool, G. Wayne},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {2375--2390},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n After an accidental, deliberate, or weather-related dispersion of chemicals (dispersive event), rapid determination of elemental compositions of ions in mass spectra is essential for tentatively identifying compounds. A direct analysis in real time (DART)® ion source interfaced to a JEOL AccuTOF® mass spectrometer provided exact masses accurate to within 2 mDa for most ions in full scan mass spectra and relative isotopic abundances (RIAs) accurate to within 15-20% for abundant isotopic ions. To speed determination of the correct composition for precursor ions and most product ions and neutral losses, a three-part software suite was developed. Starting with text files of m/z ratios and their ion abundances from mass spectra acquired at low, moderate, and high collision energies, the ion extraction program (IEP) compiled lists for the most abundant monoisotopic ions of their exact masses and the RIAs of the +1 and +2 isotopic peaks when abundance thresholds were met; precursor ions; and higher-mass, precursor-related species. The ion correlation program (ICP) determined if a precursor ion composition could yield a product ion and corresponding neutral loss compositions for each product ion in turn. The input and output program (IOP) provided the ICP with each precursor ion:product ion pair for multiple sets of error limits and prepared correlation lists for single or multiple precursor ions. The software determined the correct precursor ion compositions for 21 individual standards and for three- and seven-component mixtures. Partial deconvolution of composite mass spectra was achieved based on exact masses and RIAs, rather than on chromatography. Published in 2008 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Quantification of small molecules in plasma with direct analysis in real time tandem mass spectrometry, without sample preparation and liquid chromatographic separation.\n \n \n \n\n\n \n Zhao, Y.; Lam, M.; Wu, D.; and R., M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 22(20): 3217–3224. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{zhao_quantification_2008,\n\ttitle = {Quantification of small molecules in plasma with direct analysis in real time tandem mass spectrometry, without sample preparation and liquid chromatographic separation.},\n\tvolume = {22},\n\tabstract = {Recently, a new ion source, Direct Analysis in Real Time (DART), has been introduced which allows direct biological sample introduction into a mass spectrometry (MS) system. The elimination of conventionally required sample preparation and separation by high-performance liquid chromatography (HPLC) prior to MS analysis represents a remarkable opportunity to reduce assay turn-around time, environmental impact and capital/manpower investment. This new technology initially was used in various qualitative applications to directly detect chemicals on solid surfaces, in liquids and gases. In this study, a DART source operating under ambient pressure with ground potential was installed onto a Sciex 4000 tandem mass spectrometer and employed in the sample analysis of plasma based on direct introduction into the DART-MS/MS system. Reasonable precision and accuracy (\\%CV and \\%Error, both {\\textless}10\\%) were achieved of a significant number of compounds tested in biological fluids. In addition, the limit of detection for 80\\% of the tested compounds reached 5 ng/mL or lower which is sufficient for pharmaceutical drug discovery support. Finally, experimental conditions that significantly impacted assay performance were investigated with respect to optimization and limitation. Because of its simplicity, fast data acquisition (3-5 s) and low cost, DART has the potential to significantly impact quantitative pharmaceutical analysis in biological matrices.},\n\tnumber = {20},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Zhao, Y. and Lam, M. and Wu, D. and R., Mak},\n\tyear = {2008},\n\tkeywords = {Applied Biosystems Triple Quad},\n\tpages = {3217--3224},\n}\n\n\n\n
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\n Recently, a new ion source, Direct Analysis in Real Time (DART), has been introduced which allows direct biological sample introduction into a mass spectrometry (MS) system. The elimination of conventionally required sample preparation and separation by high-performance liquid chromatography (HPLC) prior to MS analysis represents a remarkable opportunity to reduce assay turn-around time, environmental impact and capital/manpower investment. This new technology initially was used in various qualitative applications to directly detect chemicals on solid surfaces, in liquids and gases. In this study, a DART source operating under ambient pressure with ground potential was installed onto a Sciex 4000 tandem mass spectrometer and employed in the sample analysis of plasma based on direct introduction into the DART-MS/MS system. Reasonable precision and accuracy (%CV and %Error, both \\textless10%) were achieved of a significant number of compounds tested in biological fluids. In addition, the limit of detection for 80% of the tested compounds reached 5 ng/mL or lower which is sufficient for pharmaceutical drug discovery support. Finally, experimental conditions that significantly impacted assay performance were investigated with respect to optimization and limitation. Because of its simplicity, fast data acquisition (3-5 s) and low cost, DART has the potential to significantly impact quantitative pharmaceutical analysis in biological matrices.\n
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\n \n\n \n \n \n \n \n Prevalence and Detection of Counterfeit Pharmaceuticals: A Mini Review.\n \n \n \n\n\n \n Fernandez, F. M.; Green, M. D.; and Newton, P. N.\n\n\n \n\n\n\n Ind. Eng. Chem. Res., 47(3): 585–590. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{fernandez_prevalence_2008,\n\ttitle = {Prevalence and {Detection} of {Counterfeit} {Pharmaceuticals}: {A} {Mini} {Review}},\n\tvolume = {47},\n\tissn = {0888-5885},\n\tabstract = {Counterfeit drugs are a widespread, important public health problem. This mini review reports on the current status of the issue of drug counterfeiting, with special emphasis on our findings on counterfeit anti-infectives, and the new detection tools being developed to identify and characterize fake drugs.},\n\tnumber = {3},\n\tjournal = {Ind. Eng. Chem. Res.},\n\tauthor = {Fernandez, F. M. and Green, M. D. and Newton, P. N.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {585--590},\n}\n\n\n\n\n\n\n\n
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\n Counterfeit drugs are a widespread, important public health problem. This mini review reports on the current status of the issue of drug counterfeiting, with special emphasis on our findings on counterfeit anti-infectives, and the new detection tools being developed to identify and characterize fake drugs.\n
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\n \n\n \n \n \n \n \n Pharmacokinetic analysis of anti-allergy and anti-inflammation bioactives in a nettle (Urtica dioica) extract.\n \n \n \n\n\n \n Ayers, S.; Roschek, B. J.; Williams, J.; and Alberte, R.\n\n\n \n\n\n\n Online Journal of Pharmacology and PharmacoKinetics, 5: 6–21. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{ayers_pharmacokinetic_2008,\n\ttitle = {Pharmacokinetic analysis of anti-allergy and anti-inflammation bioactives in a nettle ({Urtica} dioica) extract.},\n\tvolume = {5},\n\tabstract = {Pharmacokinetic analyses were conducted using DART TOF-MS on the uptake of bioactive components present in a nettle (Urtica dioica) extract delivered orally as a lozenge. Previously adenine, synephrine, osthole, and nicotinamide were shown to be key bioactives contributing to the anti-inflammatory and anti-allergy properties of the nettle extract (Roschek et al, 2009). Average serum concentrations of adenine reached 35.2 nmol L-1, nicotinamide reached 8.7 nmol L-1, osthole reached 11.0 nmol L-1, and synephrine reached 107.4 nmol L-1. These serum levels are equivalent to 0.3\\%, 0.2\\%, 0.2\\%, and 1.6\\% oral bioavailability for adenine, synephrine, osthole and nicotinamide respectively. Urine concentrations for adenine, nicotinamide, synephrine, and osthole reached 4.9 nmol L-1, 2.5 nmol L-1, 6.6 nmol L-1, and 0.2 nmol L-1, respectively. The major pharmacokinetic parameters (Cmax, Tmax, T1/2) were determined and compared for serum and urine. For all three of the compounds, Cmax values decreased 2- to 16-fold in urine compared to serum, Tmax values increased 2- to 12-fold, and T1/2 values increased 2- to 10-fold. Molecular modeling revealed that these compounds were not likely to cross the blood-brain barrier, particularly important for the anti-histamine bioactives to ensure a non-drowsy activity. These results show that antiinflammatory and anti-allergenic compounds in nettle are readily absorbed into the body and excreted in the urine when a nettle extract is delivered orally as a lozenge. In addition, DART TOF-MS is useful in quantifying multiple components in biological matrices with little or no sample preparation.},\n\tjournal = {Online Journal of Pharmacology and PharmacoKinetics},\n\tauthor = {Ayers, S. and Roschek, B. Jr and Williams, J.M. and Alberte, R.S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {6--21},\n}\n\n\n\n
\n
\n\n\n
\n Pharmacokinetic analyses were conducted using DART TOF-MS on the uptake of bioactive components present in a nettle (Urtica dioica) extract delivered orally as a lozenge. Previously adenine, synephrine, osthole, and nicotinamide were shown to be key bioactives contributing to the anti-inflammatory and anti-allergy properties of the nettle extract (Roschek et al, 2009). Average serum concentrations of adenine reached 35.2 nmol L-1, nicotinamide reached 8.7 nmol L-1, osthole reached 11.0 nmol L-1, and synephrine reached 107.4 nmol L-1. These serum levels are equivalent to 0.3%, 0.2%, 0.2%, and 1.6% oral bioavailability for adenine, synephrine, osthole and nicotinamide respectively. Urine concentrations for adenine, nicotinamide, synephrine, and osthole reached 4.9 nmol L-1, 2.5 nmol L-1, 6.6 nmol L-1, and 0.2 nmol L-1, respectively. The major pharmacokinetic parameters (Cmax, Tmax, T1/2) were determined and compared for serum and urine. For all three of the compounds, Cmax values decreased 2- to 16-fold in urine compared to serum, Tmax values increased 2- to 12-fold, and T1/2 values increased 2- to 10-fold. Molecular modeling revealed that these compounds were not likely to cross the blood-brain barrier, particularly important for the anti-histamine bioactives to ensure a non-drowsy activity. These results show that antiinflammatory and anti-allergenic compounds in nettle are readily absorbed into the body and excreted in the urine when a nettle extract is delivered orally as a lozenge. In addition, DART TOF-MS is useful in quantifying multiple components in biological matrices with little or no sample preparation.\n
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\n \n\n \n \n \n \n \n An Inexpensive Autosampler to Maximize Throughput for an Ion Source that Samples Surfaces in Open Air.\n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Environmental Forensics, 9(2): 127–136. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_inexpensive_2008,\n\ttitle = {An {Inexpensive} {Autosampler} to {Maximize} {Throughput} for an {Ion} {Source} that {Samples} {Surfaces} in {Open} {Air}},\n\tvolume = {9},\n\tissn = {1527-5922},\n\tabstract = {Rapid analysis of hundreds of wipe samples after a chemical dispersion event is essential for quickly characterizing the hazard posed to the public. An autosampler was built to pull 76 cotton swabs mounted along a 91-cm (3-foot) long, square aluminum rod in open air, through the ionizing beam of a direct analysis in real time (DART) ion source interfaced to a time-of-flight mass spectrometer. The rod and swabs mounted on N-scale model railroad flat cars were pulled through the ion source in 7.5 min by a 7-rpm motor. Percent relative standard deviations (\\%RSDs) of 18.5\\% to 21.3\\% were obtained for the chromatographic peak areas of the protonated molecule. Maximum-to-minimum ratios of the areas were between 2.22 and 2.71. Measured exact masses of analyte ions were always accurate to within 1 mDa.},\n\tnumber = {2},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, Andrew H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {127--136},\n}\n\n\n\n
\n
\n\n\n
\n Rapid analysis of hundreds of wipe samples after a chemical dispersion event is essential for quickly characterizing the hazard posed to the public. An autosampler was built to pull 76 cotton swabs mounted along a 91-cm (3-foot) long, square aluminum rod in open air, through the ionizing beam of a direct analysis in real time (DART) ion source interfaced to a time-of-flight mass spectrometer. The rod and swabs mounted on N-scale model railroad flat cars were pulled through the ion source in 7.5 min by a 7-rpm motor. Percent relative standard deviations (%RSDs) of 18.5% to 21.3% were obtained for the chromatographic peak areas of the protonated molecule. Maximum-to-minimum ratios of the areas were between 2.22 and 2.71. Measured exact masses of analyte ions were always accurate to within 1 mDa.\n
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\n \n\n \n \n \n \n \n Direct analysis in real time–time-of-flight mass spectrometry: Analysis of pesticide residues and environmental contaminants.\n \n \n \n\n\n \n Vaclavik, L.; Schurek, J.; Cajka, T.; and Hajslova, J.\n\n\n \n\n\n\n Chemicke Listy, 102: s324–s327. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_direct_2008,\n\ttitle = {Direct analysis in real time–time-of-flight mass spectrometry: {Analysis} of pesticide residues and environmental contaminants.},\n\tvolume = {102},\n\tjournal = {Chemicke Listy},\n\tauthor = {Vaclavik, L. and Schurek, J. and Cajka, T. and Hajslova, J.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {s324--s327},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid and sensitive determination of acrylamide in drinking water by planar chromatography and fluorescence detection after derivatization with dansulfinic acid.\n \n \n \n \n\n\n \n Alpmann, A.; and Morlock, G.\n\n\n \n\n\n\n Journal of Separation Science, 31(1): 71–77. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{alpmann_rapid_2008,\n\ttitle = {Rapid and sensitive determination of acrylamide in drinking water by planar chromatography and fluorescence detection after derivatization with dansulfinic acid},\n\tvolume = {31},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.200700391},\n\tabstract = {On the basis of a novel derivatization, a new planar chromatographic method has been developed for the determination of acrylamide (AA) in drinking water at the ultra-trace level. After SPE, the water extracts were oversprayed on a high-performance thin-layer chromatography (HPTLC) silica gel plate with the derivatization agent dansulfinic acid and derivatized in situ. Chromatography was performed with ethyl acetate and the fluorescent product was quantified at 366/{\\textgreater}400 nm. Verification was based on HPTLC-ESI/MS, HPTLC-direct analysis in real-time (DART)-TOF/MS and NMR. The routine HPTLC-fluorescence detection (FLD) method was validated for spiked drinking water. The regression analysis was linear (r {\\textgreater}0.9918) in the range of 0.1-0.4 mug/L. LOD was calculated to be 0.025 mug/L and experimentally proved for spiked samples at levels down to 0.05 mug/L (S/N = 6) which was suited for monitoring the EU limit value of 0.1 mug/L in drinking water (0.5 mug/L demanded by World Health Organization (WHO)/US Environmental Protection Agency (EPA)). Within-run precision and the mean between-run precision (RSD, n = 3, three concentration levels each) were evaluated to be 4.8 and 11.0\\%, respectively. The mean recovery (0.1, 0.2, and 0.3 mug/L) was 96\\% corrected by the internal standard. The method, in comparison with HPLC-MS/MS showed comparable results and demonstrated the accuracy of the method.},\n\tnumber = {1},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Alpmann, Alexander and Morlock, Gertrud},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {71--77},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n On the basis of a novel derivatization, a new planar chromatographic method has been developed for the determination of acrylamide (AA) in drinking water at the ultra-trace level. After SPE, the water extracts were oversprayed on a high-performance thin-layer chromatography (HPTLC) silica gel plate with the derivatization agent dansulfinic acid and derivatized in situ. Chromatography was performed with ethyl acetate and the fluorescent product was quantified at 366/\\textgreater400 nm. Verification was based on HPTLC-ESI/MS, HPTLC-direct analysis in real-time (DART)-TOF/MS and NMR. The routine HPTLC-fluorescence detection (FLD) method was validated for spiked drinking water. The regression analysis was linear (r \\textgreater0.9918) in the range of 0.1-0.4 mug/L. LOD was calculated to be 0.025 mug/L and experimentally proved for spiked samples at levels down to 0.05 mug/L (S/N = 6) which was suited for monitoring the EU limit value of 0.1 mug/L in drinking water (0.5 mug/L demanded by World Health Organization (WHO)/US Environmental Protection Agency (EPA)). Within-run precision and the mean between-run precision (RSD, n = 3, three concentration levels each) were evaluated to be 4.8 and 11.0%, respectively. The mean recovery (0.1, 0.2, and 0.3 mug/L) was 96% corrected by the internal standard. The method, in comparison with HPLC-MS/MS showed comparable results and demonstrated the accuracy of the method.\n
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\n \n\n \n \n \n \n \n DART–TOFMS: A Challenging Approach in Rapid Monitoring of Brominated Flame Retardants in Environmental Matrices.\n \n \n \n\n\n \n Hajslova, J.; Vaclavik, L.; Pulkrabova, J.; Poustka, J.; and Cajka, T.\n\n\n \n\n\n\n Organohalogen Compounds, 70: 922–925. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{hajslova_darttofms:_2008,\n\ttitle = {{DART}–{TOFMS}: {A} {Challenging} {Approach} in {Rapid} {Monitoring} of {Brominated} {Flame} {Retardants} in {Environmental} {Matrices}},\n\tvolume = {70},\n\tjournal = {Organohalogen Compounds},\n\tauthor = {Hajslova, J. and Vaclavik, L. and Pulkrabova, J. and Poustka, J. and Cajka, T.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {922--925},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n HRMS Directly From TLC Slides. A Powerful Tool for Rapid Analysis of Organic Mixtures.\n \n \n \n\n\n \n Smith, N. J.; Domin, M. A.; and Scott, L. T.\n\n\n \n\n\n\n Organic Letters, 10(16): 3493–3496. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{smith_hrms_2008,\n\ttitle = {{HRMS} {Directly} {From} {TLC} {Slides}. {A} {Powerful} {Tool} for {Rapid} {Analysis} of {Organic} {Mixtures}},\n\tvolume = {10},\n\tissn = {1523-7060},\n\tabstract = {Abstract: High-resolution mass spectra (HRMS) of individual spots on thin-layer chromatography (TLC) slides can now be obtained quickly and easily at atmospheric pressure, with zero sample preparation, using commercially available instrumentation. The method is complementary to GC mass spectrometry but is not limited to compounds of high volatility and high thermal stability. TLC HRMS can be used to monitor chemical reactions in real time and has the capacity thereby to accelerate significantly the pace of synthetic organic chemistry.},\n\tnumber = {16},\n\tjournal = {Organic Letters},\n\tauthor = {Smith, Natalie J. and Domin, Marek A. and Scott, Lawrence T.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {3493--3496},\n}\n\n\n\n
\n
\n\n\n
\n Abstract: High-resolution mass spectra (HRMS) of individual spots on thin-layer chromatography (TLC) slides can now be obtained quickly and easily at atmospheric pressure, with zero sample preparation, using commercially available instrumentation. The method is complementary to GC mass spectrometry but is not limited to compounds of high volatility and high thermal stability. TLC HRMS can be used to monitor chemical reactions in real time and has the capacity thereby to accelerate significantly the pace of synthetic organic chemistry.\n
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\n \n\n \n \n \n \n \n Implementation of DART and DESI Ionization on a Fieldable Mass Spectrometer.\n \n \n \n\n\n \n Wells, J. M.; Roth, M. J.; Keil, A. D.; Grossenbacher, J. W.; Justes, D. R.; Patterson, G. E.; and Barket Jr., D. J.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 19(10): 1419–1424. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{wells_implementation_2008,\n\ttitle = {Implementation of {DART} and {DESI} {Ionization} on a {Fieldable} {Mass} {Spectrometer}},\n\tvolume = {19},\n\tdoi = {10.1016/j.jasms.2008.06.028},\n\tabstract = {A recently developed prototype mobile laboratory mass spectrometer, incorporating an atmospheric pressure ionization (API) interface, is described. This system takes advantage of the small size, lower voltage requirements, and tandem MS abilities of the cylindrical ion trap mass analyzer. The prototype API MS uses small, low-power pumps to fit into a 0.1-m3 self-contained package weighing less than 45 kg. This instrument has been adapted to allow rapid interfacing to electrospray ionization, desorption electrospray ionization, and direct analysis in real-time sources. Initial data indicate that these techniques provide rapid detection and identification of compounds for quality control, homeland security, and forensic applications. In addition, this instrument is self-contained and compact, making it ideally extensible to mobile laboratory and field analyses. Initial MS and MS/MS data for analyses of drugs, food, and explosives are presented herein.},\n\tnumber = {10},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Wells, J. Mitchell and Roth, Michael J. and Keil, Adam D. and Grossenbacher, John W. and Justes, Dina R. and Patterson, Garth E. and Barket Jr., Dennis J.},\n\tyear = {2008},\n\tkeywords = {Griffin},\n\tpages = {1419--1424},\n}\n\n\n\n
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\n\n\n
\n A recently developed prototype mobile laboratory mass spectrometer, incorporating an atmospheric pressure ionization (API) interface, is described. This system takes advantage of the small size, lower voltage requirements, and tandem MS abilities of the cylindrical ion trap mass analyzer. The prototype API MS uses small, low-power pumps to fit into a 0.1-m3 self-contained package weighing less than 45 kg. This instrument has been adapted to allow rapid interfacing to electrospray ionization, desorption electrospray ionization, and direct analysis in real-time sources. Initial data indicate that these techniques provide rapid detection and identification of compounds for quality control, homeland security, and forensic applications. In addition, this instrument is self-contained and compact, making it ideally extensible to mobile laboratory and field analyses. Initial MS and MS/MS data for analyses of drugs, food, and explosives are presented herein.\n
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\n \n\n \n \n \n \n \n Analysis of cell cultures of Taxus wallichiana using direct analysis in real-time mass spectrometric technique.\n \n \n \n\n\n \n Banerjee, S.; Madhusudanan, K. P.; Khanuja, S. P. S.; and Chattopadhyay, S. K.\n\n\n \n\n\n\n Biomedical Chromatography, 22(3): 250–253. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{banerjee_analysis_2008,\n\ttitle = {Analysis of cell cultures of {Taxus} wallichiana using direct analysis in real-time mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the calli of Taxus wallichiana. The intact callus samples were directly analyzed by holding them in the gap between the DART source and mass spectrometer for measurements. Five C-14 oxygenated taxoids were characterized from the analysis of the calli of the Taxus wallichiana almost instantaneously. The confirmation of the structures of the identified taxoids was made through their accurate molecular formula determinations.},\n\tnumber = {3},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Banerjee, Suchitra and Madhusudanan, K. P. and Khanuja, Suman P. S. and Chattopadhyay, Sunil K.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {250--253},\n}\n\n\n\n
\n
\n\n\n
\n The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the calli of Taxus wallichiana. The intact callus samples were directly analyzed by holding them in the gap between the DART source and mass spectrometer for measurements. Five C-14 oxygenated taxoids were characterized from the analysis of the calli of the Taxus wallichiana almost instantaneously. The confirmation of the structures of the identified taxoids was made through their accurate molecular formula determinations.\n
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\n \n\n \n \n \n \n \n GC–TOF-MS and DART–TOF-MS: Challenges in the Analysis of Soft Drinks.\n \n \n \n\n\n \n Cajka, T.; Vaclavik, L.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n LC/GC Europe, 21(5): 250–256. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cajka_gctof-ms_2008,\n\ttitle = {{GC}–{TOF}-{MS} and {DART}–{TOF}-{MS}: {Challenges} in the {Analysis} of {Soft} {Drinks}.},\n\tvolume = {21},\n\tabstract = {The potential of the time-of-flight mass spectrometry (TOF-MS) to innovate the analysis of soft drinks is described using gas chromatography (GC) hyphenated to TOF-MS and a new type of ion source, direct analysis in real time (DART), coupled to high-resolution TOF-MS. Head-space solid-phase microextraction (SPME) was used to isolate/extract volatile compounds followed by GC–TOF-MS to identify tainted compound in contaminated soft drinks. Direct analysis in real time–time-of-flight mass spectrometry (DART–TOF-MS) was also used to obtain negative and positive ion profiles of different soft drinks to determine the presence of various compounds, including antimicrobial preservatives, artificial sweeteners, acidulants and saccharides, without any sample preparation and chromatographic separation.},\n\tnumber = {5},\n\tjournal = {LC/GC Europe},\n\tauthor = {Cajka, T. and Vaclavik, L. and Riddellova, K. and Hajslova, J.},\n\tyear = {2008},\n\tkeywords = {AccuTOF; GC x GC; Leco Pegasus},\n\tpages = {250--256},\n}\n\n\n\n
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\n\n\n
\n The potential of the time-of-flight mass spectrometry (TOF-MS) to innovate the analysis of soft drinks is described using gas chromatography (GC) hyphenated to TOF-MS and a new type of ion source, direct analysis in real time (DART), coupled to high-resolution TOF-MS. Head-space solid-phase microextraction (SPME) was used to isolate/extract volatile compounds followed by GC–TOF-MS to identify tainted compound in contaminated soft drinks. Direct analysis in real time–time-of-flight mass spectrometry (DART–TOF-MS) was also used to obtain negative and positive ion profiles of different soft drinks to determine the presence of various compounds, including antimicrobial preservatives, artificial sweeteners, acidulants and saccharides, without any sample preparation and chromatographic separation.\n
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\n \n\n \n \n \n \n \n \n Characterization of “Yaa Chud” Medicine on the Thailand–Myanmar Border: Selecting for Drug-resistant Malaria and Threatening Public Health.\n \n \n \n \n\n\n \n Newton, P. N.; Hampton, C. Y.; Alter-Hall, K.; Teerwarakulpana, T.; Prakongpan, S.; Ruangveerayuth, R.; White, N. J.; Day, N. P. J.; Tudino, M. B.; Mancuso, N.; and Fernández, F. M.\n\n\n \n\n\n\n The American Journal of Tropical Medicine and Hygiene, 79(5): 662 –669. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{newton_characterization_2008,\n\ttitle = {Characterization of “{Yaa} {Chud}” {Medicine} on the {Thailand}–{Myanmar} {Border}: {Selecting} for {Drug}-resistant {Malaria} and {Threatening} {Public} {Health}},\n\tvolume = {79},\n\turl = {http://www.ajtmh.org/content/79/5/662.abstract},\n\tabstract = {Multidrug-resistant Plasmodium falciparum malaria is a severe public health problem on the Thailand–Myanmar border. Many villagers buy packets of 4–5 mixed medicines (“yaa chud”) from shops without medical assessment as their first-line malaria treatment. In 2000–2001 a local researcher purchased 50 yaa chud from 44 shops around Mae Sot, Thailand and Myawaddy, Myanmar (Burma), for his wife who was said to be pregnant with fever and drowsiness. The tablets/capsules were provisionally identified by appearance and active ingredients determined in a subset by using mass and atomic spectrometry. The most frequently detected active ingredients were acetaminophen (22\\%), chlorpheniramine (13.4\\%), chloroquine (12.6\\%), tetracycline/doxycycline (11.4\\%), and quinine (5.1\\%). Only seven bags contained potentially curative medicine for malaria. A total of 82\\% of the bags contained medicines contraindicated in pregnancy. Inappropriate, ineffective antimalarial drugs on the Thailand–Myanmar border are likely to increase malaria morbidity, mortality and health costs and engender the emergence and spread of antimalarial drug resistance.},\n\tnumber = {5},\n\tjournal = {The American Journal of Tropical Medicine and Hygiene},\n\tauthor = {Newton, Paul N. and Hampton, Christina Y. and Alter-Hall, Krystyn and Teerwarakulpana, Thanongsak and Prakongpan, Sompol and Ruangveerayuth, Ronnatrai and White, Nicholas J. and Day, Nicholas P. J. and Tudino, Mabel B. and Mancuso, Natalia and Fernández, Facundo M.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {662 --669},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Multidrug-resistant Plasmodium falciparum malaria is a severe public health problem on the Thailand–Myanmar border. Many villagers buy packets of 4–5 mixed medicines (“yaa chud”) from shops without medical assessment as their first-line malaria treatment. In 2000–2001 a local researcher purchased 50 yaa chud from 44 shops around Mae Sot, Thailand and Myawaddy, Myanmar (Burma), for his wife who was said to be pregnant with fever and drowsiness. The tablets/capsules were provisionally identified by appearance and active ingredients determined in a subset by using mass and atomic spectrometry. The most frequently detected active ingredients were acetaminophen (22%), chlorpheniramine (13.4%), chloroquine (12.6%), tetracycline/doxycycline (11.4%), and quinine (5.1%). Only seven bags contained potentially curative medicine for malaria. A total of 82% of the bags contained medicines contraindicated in pregnancy. Inappropriate, ineffective antimalarial drugs on the Thailand–Myanmar border are likely to increase malaria morbidity, mortality and health costs and engender the emergence and spread of antimalarial drug resistance.\n
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\n \n\n \n \n \n \n \n \n Planar Chromatography - Back to the future?.\n \n \n \n \n\n\n \n Morlock, G.; and Schwack, W.\n\n\n \n\n\n\n LC/GC Europe, (21): 366–371. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"PlanarPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{morlock_planar_2008,\n\ttitle = {Planar {Chromatography} - {Back} to the future?},\n\turl = {http://chromatographyonline.findanalytichem.com/lcgc/article/articleDetail.jsp?id=531582&pageID=1&sk=&date=},\n\tabstract = {The importance of planar chromatography, particularly thin layer chromatography (TLC), is vastly underestimated. This article highlights\nthe unique attributes of high performance thin layer chromatography (HPTLC) compared with rival column techniques. Two advanced\napplications in planar chromatography are described to illustrate the potential of this technique: bioactivity-based detection and coupling\nwith mass spectrometry (MS).},\n\tnumber = {21},\n\tjournal = {LC/GC Europe},\n\tauthor = {Morlock, G. and Schwack, W.},\n\tyear = {2008},\n\tkeywords = {Thermo LTQ},\n\tpages = {366--371},\n}\n\n\n\n
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\n The importance of planar chromatography, particularly thin layer chromatography (TLC), is vastly underestimated. This article highlights the unique attributes of high performance thin layer chromatography (HPTLC) compared with rival column techniques. Two advanced applications in planar chromatography are described to illustrate the potential of this technique: bioactivity-based detection and coupling with mass spectrometry (MS).\n
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\n \n\n \n \n \n \n \n A Collaborative Epidemiological Investigation into the Criminal Fake Artesunate Trade in South East Asia.\n \n \n \n\n\n \n Newton, P. N.; Fernandez, F. M.; Plancon, A.; Mildenhall, D. C.; Green, M. D.; Ziyong, L.; Christophel, E. M.; Phanouvong, S.; Howells, S.; McIntosh, E.; Laurin, P.; Blum, N.; Hampton, C. Y.; Faure, K.; Nyadong, L.; Soong, C. W. R.; Santoso, B.; Zhiguang, W.; Newton, J.; and Palmer, K.\n\n\n \n\n\n\n PLoS Medicine, 5(2): e32. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{newton_collaborative_2008,\n\ttitle = {A {Collaborative} {Epidemiological} {Investigation} into the {Criminal} {Fake} {Artesunate} {Trade} in {South} {East} {Asia}},\n\tvolume = {5},\n\tabstract = {BackgroundSince 1998 the serious public health problem in South East Asia of counterfeit artesunate, containing no or subtherapeutic amounts of the active antimalarial ingredient, has led to deaths from untreated malaria, reduced confidence in this vital drug, large economic losses for the legitimate manufacturers, and concerns that artemisinin resistance might be engendered.Methods and FindingsWith evidence of a deteriorating situation, a group of police, criminal analysts, chemists, palynologists, and health workers collaborated to determine the source of these counterfeits under the auspices of the International Criminal Police Organization (INTERPOL) and the Western Pacific World Health Organization Regional Office. A total of 391 samples of genuine and counterfeit artesunate collected in Vietnam (75), Cambodia (48), Lao PDR (115), Myanmar (Burma) (137) and the Thai/Myanmar border (16), were available for analysis. Sixteen different fake hologram types were identified. High-performance liquid chromatography and/or mass spectrometry confirmed that all specimens thought to be counterfeit (195/391, 49.9\\%) on the basis of packaging contained no or small quantities of artesunate (up to 12 mg per tablet as opposed to ∼ 50 mg per genuine tablet). Chemical analysis demonstrated a wide diversity of wrong active ingredients, including banned pharmaceuticals, such as metamizole, and safrole, a carcinogen, and raw material for manufacture of methylenedioxymethamphetamine (‘ecstasy'). Evidence from chemical, mineralogical, biological, and packaging analysis suggested that at least some of the counterfeits were manufactured in southeast People's Republic of China. This evidence prompted the Chinese Government to act quickly against the criminal traders with arrests and seizures.ConclusionsAn international multi-disciplinary group obtained evidence that some of the counterfeit artesunate was manufactured in China, and this prompted a criminal investigation. International cross-disciplinary collaborations may be appropriate in the investigation of other serious counterfeit medicine public health problems elsewhere, but strengthening of international collaborations and forensic and drug regulatory authority capacity will be required.},\n\tnumber = {2},\n\tjournal = {PLoS Medicine},\n\tauthor = {Newton, Paul N. and Fernandez, Facundo M. and Plancon, Aline and Mildenhall, Dallas C. and Green, Michael D. and Ziyong, Li and Christophel, Eva Maria and Phanouvong, Souly and Howells, Stephen and McIntosh, Eric and Laurin, Paul and Blum, Nancy and Hampton, Christina Y. and Faure, Kevin and Nyadong, Leonard and Soong, C. W. Ray and Santoso, Budiono and Zhiguang, Wang and Newton, John and Palmer, Kevin},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {e32},\n}\n\n\n\n
\n
\n\n\n
\n BackgroundSince 1998 the serious public health problem in South East Asia of counterfeit artesunate, containing no or subtherapeutic amounts of the active antimalarial ingredient, has led to deaths from untreated malaria, reduced confidence in this vital drug, large economic losses for the legitimate manufacturers, and concerns that artemisinin resistance might be engendered.Methods and FindingsWith evidence of a deteriorating situation, a group of police, criminal analysts, chemists, palynologists, and health workers collaborated to determine the source of these counterfeits under the auspices of the International Criminal Police Organization (INTERPOL) and the Western Pacific World Health Organization Regional Office. A total of 391 samples of genuine and counterfeit artesunate collected in Vietnam (75), Cambodia (48), Lao PDR (115), Myanmar (Burma) (137) and the Thai/Myanmar border (16), were available for analysis. Sixteen different fake hologram types were identified. High-performance liquid chromatography and/or mass spectrometry confirmed that all specimens thought to be counterfeit (195/391, 49.9%) on the basis of packaging contained no or small quantities of artesunate (up to 12 mg per tablet as opposed to ∼ 50 mg per genuine tablet). Chemical analysis demonstrated a wide diversity of wrong active ingredients, including banned pharmaceuticals, such as metamizole, and safrole, a carcinogen, and raw material for manufacture of methylenedioxymethamphetamine (‘ecstasy'). Evidence from chemical, mineralogical, biological, and packaging analysis suggested that at least some of the counterfeits were manufactured in southeast People's Republic of China. This evidence prompted the Chinese Government to act quickly against the criminal traders with arrests and seizures.ConclusionsAn international multi-disciplinary group obtained evidence that some of the counterfeit artesunate was manufactured in China, and this prompted a criminal investigation. International cross-disciplinary collaborations may be appropriate in the investigation of other serious counterfeit medicine public health problems elsewhere, but strengthening of international collaborations and forensic and drug regulatory authority capacity will be required.\n
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\n \n\n \n \n \n \n \n An Integrated Wipe Sample Transport/Autosampler to Maximize Throughput for a Direct Analysis in Real Time (DART)/Orthogonal Acceleration, Time-of-Flight Mass Spectrometer (oa-TOFMS).\n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Environmental Forensics, 9(2): 137 – 143. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_integrated_2008,\n\ttitle = {An {Integrated} {Wipe} {Sample} {Transport}/{Autosampler} to {Maximize} {Throughput} for a {Direct} {Analysis} in {Real} {Time} ({DART})/{Orthogonal} {Acceleration}, {Time}-of-{Flight} {Mass} {Spectrometer} (oa-{TOFMS})},\n\tvolume = {9},\n\tissn = {1527-5922},\n\tabstract = {A wipe sample transport was designed and built to meet two objectives: to simplify collection, storage, and transport of cotton swab wipe samples and to provide a sample train of 72 wipe samples nearly ready for analysis when the swabs reach the laboratory. The cotton swabs are mounted on an Al rod that is the sample support for an autosampler used to perform direct analysis in real time (DART)/orthogonal acceleration, time-of-flight mass spectrometry (oa-TOFMS) analyses. The goal is for one analyst to analyze 1000 wipe samples mounted on 14 Al rods in one 8-h shift.},\n\tnumber = {2},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, Andrew H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {137 -- 143},\n}\n\n\n\n
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\n A wipe sample transport was designed and built to meet two objectives: to simplify collection, storage, and transport of cotton swab wipe samples and to provide a sample train of 72 wipe samples nearly ready for analysis when the swabs reach the laboratory. The cotton swabs are mounted on an Al rod that is the sample support for an autosampler used to perform direct analysis in real time (DART)/orthogonal acceleration, time-of-flight mass spectrometry (oa-TOFMS) analyses. The goal is for one analyst to analyze 1000 wipe samples mounted on 14 Al rods in one 8-h shift.\n
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\n \n\n \n \n \n \n \n Expression of tropane alkaloids in the hairy root culture of Atropa acuminata substantiated by DART mass spectrometric technique.\n \n \n \n\n\n \n Banerjee, S.; Madhusudanan, K. P.; Chattopadhyay, S. K.; Rahman, L. U.; and Khanuja, S. P. S.\n\n\n \n\n\n\n Biomedical Chromatography, 22(8): 830–834. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{banerjee_expression_2008,\n\ttitle = {Expression of tropane alkaloids in the hairy root culture of {Atropa} acuminata substantiated by {DART} mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {Agrobacterium rhizogenes-mediated hairy root cultures were established in Atropa acuminata. The chemical profiling of the hairy roots was carried out by a new mass spectrometric technique, direct analysis in real time (DART). The intact hairy roots were directly analyzed by holding them in the gap between the DART ion source and mass spectrometer. Two alkaloids, atropine and scopolamine, were characterized. The structural confirmation of the two alkaloids was made through their accurate molecular formula determinations. This is the first report of establishing hairy roots in A. acuminata as well as application of the DART technique for the chemical profiling of its hairy roots.},\n\tnumber = {8},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Banerjee, Suchitra and Madhusudanan, K. P. and Chattopadhyay, Sunil K. and Rahman, Laiq Ur and Khanuja, Suman P. S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {830--834},\n}\n\n\n\n
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\n Agrobacterium rhizogenes-mediated hairy root cultures were established in Atropa acuminata. The chemical profiling of the hairy roots was carried out by a new mass spectrometric technique, direct analysis in real time (DART). The intact hairy roots were directly analyzed by holding them in the gap between the DART ion source and mass spectrometer. Two alkaloids, atropine and scopolamine, were characterized. The structural confirmation of the two alkaloids was made through their accurate molecular formula determinations. This is the first report of establishing hairy roots in A. acuminata as well as application of the DART technique for the chemical profiling of its hairy roots.\n
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\n \n\n \n \n \n \n \n \n Analysis of Deoxynivalenol in Beer.\n \n \n \n \n\n\n \n Hajslova, J.; Vaclavik, L.; Cajka, T.; Poustka, J.; and Schurek, J.\n\n\n \n\n\n\n 2008.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@misc{hajslova_analysis_2008,\n\ttitle = {Analysis of {Deoxynivalenol} in {Beer}},\n\turl = {http://chromatographyonline.findanalytichem.com/lcgc/Articles/Analysis-of-Deoxynivalenol-in-Beer/ArticleStandard/Article/detail/547873},\n\tjournal = {LCGC: Chromatography Online},\n\tauthor = {Hajslova, Jana and Vaclavik, Lukas and Cajka, Tomas and Poustka, Jan and Schurek, Jakub},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Solvent Effect on the Self-Assembled Structure of an Amphiphilic Perylene Diimide Derivative.\n \n \n \n\n\n \n Yang, X.; Xu, X.; and Ji, H.\n\n\n \n\n\n\n Journal of Physical Chemistry B, 112: 7196–7202. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{yang_solvent_2008,\n\ttitle = {Solvent {Effect} on the {Self}-{Assembled} {Structure} of an {Amphiphilic} {Perylene} {Diimide} {Derivative}},\n\tvolume = {112},\n\tdoi = {10.1021/jp801413k},\n\tabstract = {An amphiphilic electron-deficient (n-type) perylene diimide has been synthesized and characterized. The diimide\ncontains a hydrophobic long chain on one end and a hydrophilic ethoxy chain on the other. The self-assembly\nof this molecule in polar and nonpolar solvents has been demonstrated by concentration- and temperaturedependent\nabsorption and fluorescence spectroscopies. Analysis of the spectral change for the aggregates\nshows typical J-aggregates for structures precipitated from polar solvents and H-aggregates for structures\nprecipitated from nonpolar solvents. SEM and TEM micrographs and a suggested packing scheme, compatible\nwith the formation of nanostrips in nonpolar solvents and nanofibers in polar solvents, are presented.},\n\tjournal = {Journal of Physical Chemistry B},\n\tauthor = {Yang, Xin and Xu, Xiaohe and Ji, Hai-Feng},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {7196--7202},\n}\n\n\n\n
\n
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\n An amphiphilic electron-deficient (n-type) perylene diimide has been synthesized and characterized. The diimide contains a hydrophobic long chain on one end and a hydrophilic ethoxy chain on the other. The self-assembly of this molecule in polar and nonpolar solvents has been demonstrated by concentration- and temperaturedependent absorption and fluorescence spectroscopies. Analysis of the spectral change for the aggregates shows typical J-aggregates for structures precipitated from polar solvents and H-aggregates for structures precipitated from nonpolar solvents. SEM and TEM micrographs and a suggested packing scheme, compatible with the formation of nanostrips in nonpolar solvents and nanofibers in polar solvents, are presented.\n
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\n \n\n \n \n \n \n \n Analytical Strategy for Rapid Identification and Quantification of Lubricant Additives in Mineral Oil by High-Performance Thin-Layer Chromatography with UV Absorption and Fluorescence Detection Combined with Mass Spectrometry and Infrared Spectroscopy.\n \n \n \n\n\n \n Dytkiewitz, E.; and Morlock, G. E.\n\n\n \n\n\n\n Journal of AOAC International, 91(5): 1237–1244. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{dytkiewitz_analytical_2008,\n\ttitle = {Analytical {Strategy} for {Rapid} {Identification} and {Quantification} of {Lubricant} {Additives} in {Mineral} {Oil} by {High}-{Performance} {Thin}-{Layer} {Chromatography} with {UV} {Absorption} and {Fluorescence} {Detection} {Combined} with {Mass} {Spectrometry} and {Infrared} {Spectroscopy}},\n\tvolume = {91},\n\tabstract = {A simple strategy for identification and quantification of lubricant additives in mineral oil was demonstrated by high-performance thin-layer chromatography with UV absorption and fluorescence detection using various coupling options, e.g., with attenuated total reflectance infrared (ATR-IR) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, electrospray ionization mass spectrometry (ESI-MS), and direct analysis in real-time mass spectrometry (DART-MS). For the additives zinc bis(O,O'-diisobutyl dithiophosphate), zinc bis(O,O'-didodecyl dithiophosphate), and Anglamol 99®, 2 chromatographic systems were developed, i.e., a reversed-phase (RP) system on RP2 plates using an acetonitrile-based mobile phase and a normal-phase system on silica gel 60 plates using a toluene-based gradient. Densitometry was performed by absorption measurement at 220 nm. Repeatabilities (relative standard deviation, n = 6) between 2.2 and 5.5\\% and correlation coefficients {\\textgreater}0.9973 were highly satisfactory for the analysis of these additives in the mineral oil. Primuline reagent was used to improve the detection limit of the lipophilic additives by a factor of 2, followed by fluorescence measurement at UV 366/{\\textgreater}400 nm. For rapid identification by ATR-IR and FTIR, the respective additive zones on the plate were online extracted by an interface called ChromeXtract, concentrated, and directly applied for measurements in the wave number range of 4000–400 cm−1. Identification was confirmed by online ESI-MS within a minute using ChromeXtract and by DART-MS within seconds.},\n\tnumber = {5},\n\tjournal = {Journal of AOAC International},\n\tauthor = {Dytkiewitz, Elisabeth and Morlock, Gertrud E.},\n\tyear = {2008},\n\tkeywords = {Agilent Quad},\n\tpages = {1237--1244},\n}\n\n\n\n
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\n\n\n
\n A simple strategy for identification and quantification of lubricant additives in mineral oil was demonstrated by high-performance thin-layer chromatography with UV absorption and fluorescence detection using various coupling options, e.g., with attenuated total reflectance infrared (ATR-IR) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, electrospray ionization mass spectrometry (ESI-MS), and direct analysis in real-time mass spectrometry (DART-MS). For the additives zinc bis(O,O'-diisobutyl dithiophosphate), zinc bis(O,O'-didodecyl dithiophosphate), and Anglamol 99®, 2 chromatographic systems were developed, i.e., a reversed-phase (RP) system on RP2 plates using an acetonitrile-based mobile phase and a normal-phase system on silica gel 60 plates using a toluene-based gradient. Densitometry was performed by absorption measurement at 220 nm. Repeatabilities (relative standard deviation, n = 6) between 2.2 and 5.5% and correlation coefficients \\textgreater0.9973 were highly satisfactory for the analysis of these additives in the mineral oil. Primuline reagent was used to improve the detection limit of the lipophilic additives by a factor of 2, followed by fluorescence measurement at UV 366/\\textgreater400 nm. For rapid identification by ATR-IR and FTIR, the respective additive zones on the plate were online extracted by an interface called ChromeXtract, concentrated, and directly applied for measurements in the wave number range of 4000–400 cm−1. Identification was confirmed by online ESI-MS within a minute using ChromeXtract and by DART-MS within seconds.\n
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\n \n\n \n \n \n \n \n Flammable Solvent Detection Directly from Common Household Materials Yields Differential Results: An Application of Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n\n\n \n Coates, C.; Coticone, S.; Barreto, P.; Cobb, A.; Cody, R.; and Barreto, J.\n\n\n \n\n\n\n Journal of Forensic Identification, 58(6): 624 –631. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{coates_flammable_2008,\n\ttitle = {Flammable {Solvent} {Detection} {Directly} from {Common} {Household} {Materials} {Yields} {Differential} {Results}: {An} {Application} of {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}.},\n\tvolume = {58},\n\tabstract = {In this study, we report the analysis of volatile flammable solvents present on common household materials by employing a mass spectrometric technique that incorporates a novel ion source: direct analysis in real time (DART). We used the new ionization method to directly volatilize and ionize a solvent sample, which was then sent to a high-resolution mass spectrometer. We analyzed two common flammable solvents, gasoline and paint thinner, directly from cotton, drywall, and nylon materials. DART sampling occurs directly from the chemical matrix of the common household materials, with no sample preparation needed. Cotton swabs containing solvents, gasoline, and paint thinner produced characteristic signature peaks. In addition, different substrates (cotton, nylon, and drywall) containing gasoline and paint thinner were tested to determine the possibility of detecting aromatic and aliphatic solvents from a complex chemical matrix using DART technology. Specifically, we discovered that nylon was a poor substrate for DART detection of gasoline, with the entire signal disappearing in only two hours. Surprisingly, DART easily detected paint thinner on nylon even after 16 hours. Notably, DART was effective in all other cases, detecting both paint thinner and gasoline over a 0- to 16-hour period on cotton and drywall substrates. We conclude that DART sample detection directly from household materials is not simply a matter of vapor pressure; instead, direct DART detection probably dependent on a complex interaction involving adsorption effects or matrix effects on the ionization mechanism of the flammable solvents. We demonstrate and report a potentially simple, powerful, and useful alternative to traditional mass spectrometric analysis.},\n\tnumber = {6},\n\tjournal = {Journal of Forensic Identification},\n\tauthor = {Coates, C.M. and Coticone, S. and Barreto, P.D. and Cobb, A.E. and Cody, R.B. and Barreto, J.C.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {624 --631},\n}\n\n\n\n
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\n In this study, we report the analysis of volatile flammable solvents present on common household materials by employing a mass spectrometric technique that incorporates a novel ion source: direct analysis in real time (DART). We used the new ionization method to directly volatilize and ionize a solvent sample, which was then sent to a high-resolution mass spectrometer. We analyzed two common flammable solvents, gasoline and paint thinner, directly from cotton, drywall, and nylon materials. DART sampling occurs directly from the chemical matrix of the common household materials, with no sample preparation needed. Cotton swabs containing solvents, gasoline, and paint thinner produced characteristic signature peaks. In addition, different substrates (cotton, nylon, and drywall) containing gasoline and paint thinner were tested to determine the possibility of detecting aromatic and aliphatic solvents from a complex chemical matrix using DART technology. Specifically, we discovered that nylon was a poor substrate for DART detection of gasoline, with the entire signal disappearing in only two hours. Surprisingly, DART easily detected paint thinner on nylon even after 16 hours. Notably, DART was effective in all other cases, detecting both paint thinner and gasoline over a 0- to 16-hour period on cotton and drywall substrates. We conclude that DART sample detection directly from household materials is not simply a matter of vapor pressure; instead, direct DART detection probably dependent on a complex interaction involving adsorption effects or matrix effects on the ionization mechanism of the flammable solvents. We demonstrate and report a potentially simple, powerful, and useful alternative to traditional mass spectrometric analysis.\n
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\n \n\n \n \n \n \n \n Recent developments in ambient ionization techniques for analytical mass spectrometry.\n \n \n \n\n\n \n Harris, G. A.; Nyadong, L.; and Fernandez, F. M.\n\n\n \n\n\n\n Analyst, 133: 1297–1301. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{harris_recent_2008,\n\ttitle = {Recent developments in ambient ionization techniques for analytical mass spectrometry},\n\tvolume = {133},\n\tdoi = {DOI: 10.1039/b806810k},\n\tabstract = {Ambient ionization techniques enable the interrogation of a variety of samples in their native state by mass spectrometry, and are rapidly advancing all fields where screening for the presence of various analytes in a broadband and/or high-throughput fashion is desirable. This Highlight article provides an introduction to the field, and showcases the different ionization approaches reported since 2004, with an emphasis on themost recent developments.},\n\tjournal = {Analyst},\n\tauthor = {Harris, Glenn A. and Nyadong, Leonard and Fernandez, Facundo M.},\n\tyear = {2008},\n\tkeywords = {review; AccuTOF},\n\tpages = {1297--1301},\n}\n\n\n\n
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\n Ambient ionization techniques enable the interrogation of a variety of samples in their native state by mass spectrometry, and are rapidly advancing all fields where screening for the presence of various analytes in a broadband and/or high-throughput fashion is desirable. This Highlight article provides an introduction to the field, and showcases the different ionization approaches reported since 2004, with an emphasis on themost recent developments.\n
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\n \n\n \n \n \n \n \n An Autosampler and Field Sample Carrier for Maximizing Throughput Using an Open-Air Source for MS.\n \n \n \n\n\n \n Grange, A.\n\n\n \n\n\n\n American Laboratory, 40(16): 11–13. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_autosampler_2008,\n\ttitle = {An {Autosampler} and {Field} {Sample} {Carrier} for {Maximizing} {Throughput} {Using} an {Open}-{Air} {Source} for {MS}},\n\tvolume = {40},\n\tnumber = {16},\n\tjournal = {American Laboratory},\n\tauthor = {Grange, A.H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {11--13},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n Analysis of hairy root culture of Rauvolfia serpentina using direct analysis in real time mass spectrometric technique.\n \n \n \n\n\n \n Madhusudanan, K. P.; Banerjee, S.; Khanuja, S. P. S.; and Chattopadhyay, S. K.\n\n\n \n\n\n\n Biomedical Chromatography, 22(6): 596–600. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{madhusudanan_analysis_2008,\n\ttitle = {Analysis of hairy root culture of {Rauvolfia} serpentina using direct analysis in real time mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the hairy root culture of Rauvolfia serpentina. The intact hairy roots were analyzed by holding them in the gap between the DART source and the mass spectrometer for measurements. Two nitrogen-containing compounds, vomilenine and reserpine, were characterized from the analysis of the hairy roots almost instantaneously. The confirmation of the structures of the identified compounds was made through their accurate molecular formula determinations. This is the first report of the application of DART technique for the characterization of compounds that are expressed in the hairy root cultures of Rauvolfia serpentina. Moreover, this also constitutes the first report of expression of reserpine in the hairy root culture of Rauvolfia serpentina.},\n\tnumber = {6},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Madhusudanan, K. P. and Banerjee, Suchitra and Khanuja, Suman P. S. and Chattopadhyay, Sunil K.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {596--600},\n}\n\n\n\n
\n
\n\n\n
\n The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the hairy root culture of Rauvolfia serpentina. The intact hairy roots were analyzed by holding them in the gap between the DART source and the mass spectrometer for measurements. Two nitrogen-containing compounds, vomilenine and reserpine, were characterized from the analysis of the hairy roots almost instantaneously. The confirmation of the structures of the identified compounds was made through their accurate molecular formula determinations. This is the first report of the application of DART technique for the characterization of compounds that are expressed in the hairy root cultures of Rauvolfia serpentina. Moreover, this also constitutes the first report of expression of reserpine in the hairy root culture of Rauvolfia serpentina.\n
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\n \n\n \n \n \n \n \n Pharmacokinetics of Cyanidin and Anti-Influenza Phytonutrients in an Elder Berry Extract Determined by LC-MS and DART TOF-MS.\n \n \n \n\n\n \n Roschek Jr., B.; and Alberte, R.\n\n\n \n\n\n\n Online Journal of Pharmacology and Pharmacokinetics, 4: 1–17. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{roschek_jr._pharmacokinetics_2008,\n\ttitle = {Pharmacokinetics of {Cyanidin} and {Anti}-{Influenza} {Phytonutrients} in an {Elder} {Berry} {Extract} {Determined} by {LC}-{MS} and {DART} {TOF}-{MS}},\n\tvolume = {4},\n\tjournal = {Online Journal of Pharmacology and Pharmacokinetics},\n\tauthor = {Roschek Jr., B. and Alberte, R.S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {1--17},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n Control of Strobilurin Fungicides in Wheat Using Direct Analysis in Real Time Accurate Time-of-Flight and Desorption Electrospray Ionization Linear Ion Trap Mass Spectrometry.\n \n \n \n\n\n \n Schurek, J.; Vaclavik, L.; Hooijerink, H.; Lacina, O.; Poustka, J.; Sharman, M.; Caldow, M.; Nielen, M. W. F.; and Hajslova, J.\n\n\n \n\n\n\n Analytical Chemistry, 80(24): 9567–9575. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{schurek_control_2008,\n\ttitle = {Control of {Strobilurin} {Fungicides} in {Wheat} {Using} {Direct} {Analysis} in {Real} {Time} {Accurate} {Time}-of-{Flight} and {Desorption} {Electrospray} {Ionization} {Linear} {Ion} {Trap} {Mass} {Spectrometry}},\n\tvolume = {80},\n\tdoi = {10.1021/ac8018137},\n\tabstract = {Ambient mass spectrometry has been used for the analysis of strobilurin residues in wheat. The use of this novel, challenging technique, employing a direct analysis in a real time (DART) ion-source coupled with a time-of-flight mass spectrometer (TOF MS) and a desorption electrospray ionization (DESI) source coupled with a linear ion trap tandem MS (LIT MSn), permitted a direct screen of the occurrence of target fungicides in treated grains in less than 1 min. For quantification purpose by DART-TOF MS, an ethyl acetate extract had to be prepared. With the use of a prochloraz as an internal standard, the performance characteristics obtained by repeated analyses of extract, spiked at 50 μg kg−1 with six strobilurins (azoxystrobin, picoxystrobin, dimoxystrobin, kresoxim-methyl, pyraclostrobin, and trifloxystrobin), were in the following range: recoveries 78−92\\%, repeatability (RSD) 8−15\\%, linearity (R2) 0.9900−0.9978. The analysis of wheat with incurred strobilurin residues demonstrated good trueness of data generated by the DART-TOF MS method; the results were in a good agreement with those obtained by the conventional approach, i.e., by the QuEChERS sample handling procedure followed by identification/quantification employing high-performance liquid chromatography coupled with tandem mass spectrometry (LC−MS/MS). Tandem mass spectrometry using DESI-LIT MSn provided a sufficient number of product ions for confirmation of the identity of azoxystrobin and pyraclostrobin in incurred wheat samples.},\n\tnumber = {24},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Schurek, Jakub and Vaclavik, Lukas and Hooijerink, H. and Lacina, Ondrej and Poustka, Jan and Sharman, Matthew and Caldow, Marianne and Nielen, Michel W. F. and Hajslova, Jana},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {9567--9575},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n\n\n
\n Ambient mass spectrometry has been used for the analysis of strobilurin residues in wheat. The use of this novel, challenging technique, employing a direct analysis in a real time (DART) ion-source coupled with a time-of-flight mass spectrometer (TOF MS) and a desorption electrospray ionization (DESI) source coupled with a linear ion trap tandem MS (LIT MSn), permitted a direct screen of the occurrence of target fungicides in treated grains in less than 1 min. For quantification purpose by DART-TOF MS, an ethyl acetate extract had to be prepared. With the use of a prochloraz as an internal standard, the performance characteristics obtained by repeated analyses of extract, spiked at 50 μg kg−1 with six strobilurins (azoxystrobin, picoxystrobin, dimoxystrobin, kresoxim-methyl, pyraclostrobin, and trifloxystrobin), were in the following range: recoveries 78−92%, repeatability (RSD) 8−15%, linearity (R2) 0.9900−0.9978. The analysis of wheat with incurred strobilurin residues demonstrated good trueness of data generated by the DART-TOF MS method; the results were in a good agreement with those obtained by the conventional approach, i.e., by the QuEChERS sample handling procedure followed by identification/quantification employing high-performance liquid chromatography coupled with tandem mass spectrometry (LC−MS/MS). Tandem mass spectrometry using DESI-LIT MSn provided a sufficient number of product ions for confirmation of the identity of azoxystrobin and pyraclostrobin in incurred wheat samples.\n
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\n \n\n \n \n \n \n \n Cuticular hydrocarbon analysis of an awake behaving fly using direct analysis in real-time time-of-flight mass spectrometry.\n \n \n \n\n\n \n Yew, J. Y.; Cody, R. B.; and Kravitz, E. A.\n\n\n \n\n\n\n Proceedings of the National Academy of Sciences, 105(20): 7135–7140. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{yew_cuticular_2008,\n\ttitle = {Cuticular hydrocarbon analysis of an awake behaving fly using direct analysis in real-time time-of-flight mass spectrometry},\n\tvolume = {105},\n\tdoi = {10.1073/pnas.0802692105},\n\tabstract = {In mammals and insects, pheromones strongly influence social behaviors such as aggression and mate recognition. In , pheromones in the form of cuticular hydrocarbons play prominent roles in courtship. GC/MS is the primary analytical tool currently used to study cuticular hydrocarbons. Although GC/MS is highly reproducible and sensitive, it requires that the fly be placed in a lethal solution of organic solvent, thereby impeding further behavioral studies. We present a technique for the analysis of hydrocarbons and other surface molecules from live animals by using direct analysis in real-time (DART) MS. Cuticular hydrocarbons were sampled from the surface of a restrained, awake behaving fly by using several brief, carefully controlled depressions of the abdomen with a small steel probe. DART mass spectral analysis of the probe detected ions with mass-to-charge ratio (/) of the protonated molecule corresponding to many of the previously identified unsaturated hydrocarbons. Six additional cuticular hydrocarbons also were identified. Consistent with previous GC/MS studies, male and female differences in chemical composition were evident. Spatial differences in the expression profile also were observed on males. Sampling from an individual female first as a virgin and then 45 and 90 min after successful copulation showed that mass signals likely to correspond to -vaccenyl acetate, tricosene, and pentacosene increased in relative intensity after courtship. This method provides near-instantaneous analysis of an individual animal's chemical profile in parallel with behavioral studies and could be extended to other models of pheromone-mediated behavior.},\n\tnumber = {20},\n\tjournal = {Proceedings of the National Academy of Sciences},\n\tauthor = {Yew, Joanne Y. and Cody, Robert B. and Kravitz, Edward A.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {7135--7140},\n}\n\n\n\n
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\n In mammals and insects, pheromones strongly influence social behaviors such as aggression and mate recognition. In , pheromones in the form of cuticular hydrocarbons play prominent roles in courtship. GC/MS is the primary analytical tool currently used to study cuticular hydrocarbons. Although GC/MS is highly reproducible and sensitive, it requires that the fly be placed in a lethal solution of organic solvent, thereby impeding further behavioral studies. We present a technique for the analysis of hydrocarbons and other surface molecules from live animals by using direct analysis in real-time (DART) MS. Cuticular hydrocarbons were sampled from the surface of a restrained, awake behaving fly by using several brief, carefully controlled depressions of the abdomen with a small steel probe. DART mass spectral analysis of the probe detected ions with mass-to-charge ratio (/) of the protonated molecule corresponding to many of the previously identified unsaturated hydrocarbons. Six additional cuticular hydrocarbons also were identified. Consistent with previous GC/MS studies, male and female differences in chemical composition were evident. Spatial differences in the expression profile also were observed on males. Sampling from an individual female first as a virgin and then 45 and 90 min after successful copulation showed that mass signals likely to correspond to -vaccenyl acetate, tricosene, and pentacosene increased in relative intensity after courtship. This method provides near-instantaneous analysis of an individual animal's chemical profile in parallel with behavioral studies and could be extended to other models of pheromone-mediated behavior.\n
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\n \n\n \n \n \n \n \n \n Detection of Chemical Warfare Agents on Surfaces Relevant to Homeland Security by Direct Analysis in Real-Time Spectrometry.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Connell, T.; and Nilles, J.\n\n\n \n\n\n\n American Laboratory, 40: 16–20. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{laramee_detection_2008,\n\ttitle = {Detection of {Chemical} {Warfare} {Agents} on {Surfaces} {Relevant} to {Homeland} {Security} by {Direct} {Analysis} in {Real}-{Time} {Spectrometry}.},\n\tvolume = {40},\n\turl = {http://www.americanlaboratory.com/913-Technical-Articles/757-Detection-of-Chemical-Warfare-Agents-on-Surfaces-Relevant-to-Homeland-Security-by-Direct-Analysis-in-Real-Time-Spectrometry/},\n\tabstract = {Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents, or that require solvent extraction, DART leaves the sample surface undisturbed.\n\nAnalysis of low-volatility, condensed-phase chemicals on surfaces has been an extremely difficult and long-standing objective in environmental monitoring. When target analytes possess picotorr vapor pressures, the problem of monitoring becomes formidable. As such, any noncontact sampling at atmospheric pressure that does not require solvents or wipes would be a technological breakthrough. In addition, the absence of sample preparation would allow extremely rapid analysis in time-critical situations. Today, such a technology is now available. It is known as Direct Analysis in Real Time1 or DART™ (JEOL USA, Inc., Peabody, MA).\n\nThe U.S. Army has been testing and developing DART since 2002 for the detection of chemical warfare agents on surfaces. Fast, safe, and accurate detection of chemical agents is critical for protection, security, and decision-making. Sample preparation is seldom a requirement with DART, since the contaminated surface is simply analyzed directly using a plume of gaseous Rydberg atoms. Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents,2 or that require solvent extraction, DART leaves the sample surface undisturbed. This is a forensically worthy advantage. Recent findings of chemical warfare agent detection on militarily relevant surfaces in Homeland Security is a new approach to Warfighter safety and},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D and Connell, T.R. and Nilles, J.M.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {16--20},\n}\n\n\n\n
\n
\n\n\n
\n Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents, or that require solvent extraction, DART leaves the sample surface undisturbed. Analysis of low-volatility, condensed-phase chemicals on surfaces has been an extremely difficult and long-standing objective in environmental monitoring. When target analytes possess picotorr vapor pressures, the problem of monitoring becomes formidable. As such, any noncontact sampling at atmospheric pressure that does not require solvents or wipes would be a technological breakthrough. In addition, the absence of sample preparation would allow extremely rapid analysis in time-critical situations. Today, such a technology is now available. It is known as Direct Analysis in Real Time1 or DART™ (JEOL USA, Inc., Peabody, MA). The U.S. Army has been testing and developing DART since 2002 for the detection of chemical warfare agents on surfaces. Fast, safe, and accurate detection of chemical agents is critical for protection, security, and decision-making. Sample preparation is seldom a requirement with DART, since the contaminated surface is simply analyzed directly using a plume of gaseous Rydberg atoms. Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents,2 or that require solvent extraction, DART leaves the sample surface undisturbed. This is a forensically worthy advantage. Recent findings of chemical warfare agent detection on militarily relevant surfaces in Homeland Security is a new approach to Warfighter safety and\n
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\n \n\n \n \n \n \n \n Automated determination of precursor ion, product ion, and neutral loss compositions and deconvolution of composite mass spectra using ion correlation based on exact masses and relative isotopic abundances.\n \n \n \n\n\n \n Grange, A. H.; and Sovocool, G. W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 22(15): 2375–2390. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_automated_2008,\n\ttitle = {Automated determination of precursor ion, product ion, and neutral loss compositions and deconvolution of composite mass spectra using ion correlation based on exact masses and relative isotopic abundances},\n\tvolume = {22},\n\tissn = {1097-0231},\n\tabstract = {After an accidental, deliberate, or weather-related dispersion of chemicals (dispersive event), rapid determination of elemental compositions of ions in mass spectra is essential for tentatively identifying compounds. A direct analysis in real time (DART)® ion source interfaced to a JEOL AccuTOF® mass spectrometer provided exact masses accurate to within 2 mDa for most ions in full scan mass spectra and relative isotopic abundances (RIAs) accurate to within 15-20\\% for abundant isotopic ions. To speed determination of the correct composition for precursor ions and most product ions and neutral losses, a three-part software suite was developed. Starting with text files of m/z ratios and their ion abundances from mass spectra acquired at low, moderate, and high collision energies, the ion extraction program (IEP) compiled lists for the most abundant monoisotopic ions of their exact masses and the RIAs of the +1 and +2 isotopic peaks when abundance thresholds were met; precursor ions; and higher-mass, precursor-related species. The ion correlation program (ICP) determined if a precursor ion composition could yield a product ion and corresponding neutral loss compositions for each product ion in turn. The input and output program (IOP) provided the ICP with each precursor ion:product ion pair for multiple sets of error limits and prepared correlation lists for single or multiple precursor ions. The software determined the correct precursor ion compositions for 21 individual standards and for three- and seven-component mixtures. Partial deconvolution of composite mass spectra was achieved based on exact masses and RIAs, rather than on chromatography. Published in 2008 by John Wiley \\& Sons, Ltd.},\n\tnumber = {15},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H. and Sovocool, G. Wayne},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {2375--2390},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n After an accidental, deliberate, or weather-related dispersion of chemicals (dispersive event), rapid determination of elemental compositions of ions in mass spectra is essential for tentatively identifying compounds. A direct analysis in real time (DART)® ion source interfaced to a JEOL AccuTOF® mass spectrometer provided exact masses accurate to within 2 mDa for most ions in full scan mass spectra and relative isotopic abundances (RIAs) accurate to within 15-20% for abundant isotopic ions. To speed determination of the correct composition for precursor ions and most product ions and neutral losses, a three-part software suite was developed. Starting with text files of m/z ratios and their ion abundances from mass spectra acquired at low, moderate, and high collision energies, the ion extraction program (IEP) compiled lists for the most abundant monoisotopic ions of their exact masses and the RIAs of the +1 and +2 isotopic peaks when abundance thresholds were met; precursor ions; and higher-mass, precursor-related species. The ion correlation program (ICP) determined if a precursor ion composition could yield a product ion and corresponding neutral loss compositions for each product ion in turn. The input and output program (IOP) provided the ICP with each precursor ion:product ion pair for multiple sets of error limits and prepared correlation lists for single or multiple precursor ions. The software determined the correct precursor ion compositions for 21 individual standards and for three- and seven-component mixtures. Partial deconvolution of composite mass spectra was achieved based on exact masses and RIAs, rather than on chromatography. Published in 2008 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Quantification of small molecules in plasma with direct analysis in real time tandem mass spectrometry, without sample preparation and liquid chromatographic separation.\n \n \n \n\n\n \n Zhao, Y.; Lam, M.; Wu, D.; and R., M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 22(20): 3217–3224. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{zhao_quantification_2008,\n\ttitle = {Quantification of small molecules in plasma with direct analysis in real time tandem mass spectrometry, without sample preparation and liquid chromatographic separation.},\n\tvolume = {22},\n\tabstract = {Recently, a new ion source, Direct Analysis in Real Time (DART), has been introduced which allows direct biological sample introduction into a mass spectrometry (MS) system. The elimination of conventionally required sample preparation and separation by high-performance liquid chromatography (HPLC) prior to MS analysis represents a remarkable opportunity to reduce assay turn-around time, environmental impact and capital/manpower investment. This new technology initially was used in various qualitative applications to directly detect chemicals on solid surfaces, in liquids and gases. In this study, a DART source operating under ambient pressure with ground potential was installed onto a Sciex 4000 tandem mass spectrometer and employed in the sample analysis of plasma based on direct introduction into the DART-MS/MS system. Reasonable precision and accuracy (\\%CV and \\%Error, both {\\textless}10\\%) were achieved of a significant number of compounds tested in biological fluids. In addition, the limit of detection for 80\\% of the tested compounds reached 5 ng/mL or lower which is sufficient for pharmaceutical drug discovery support. Finally, experimental conditions that significantly impacted assay performance were investigated with respect to optimization and limitation. Because of its simplicity, fast data acquisition (3-5 s) and low cost, DART has the potential to significantly impact quantitative pharmaceutical analysis in biological matrices.},\n\tnumber = {20},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Zhao, Y. and Lam, M. and Wu, D. and R., Mak},\n\tyear = {2008},\n\tkeywords = {Applied Biosystems Triple Quad},\n\tpages = {3217--3224},\n}\n\n\n\n
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\n Recently, a new ion source, Direct Analysis in Real Time (DART), has been introduced which allows direct biological sample introduction into a mass spectrometry (MS) system. The elimination of conventionally required sample preparation and separation by high-performance liquid chromatography (HPLC) prior to MS analysis represents a remarkable opportunity to reduce assay turn-around time, environmental impact and capital/manpower investment. This new technology initially was used in various qualitative applications to directly detect chemicals on solid surfaces, in liquids and gases. In this study, a DART source operating under ambient pressure with ground potential was installed onto a Sciex 4000 tandem mass spectrometer and employed in the sample analysis of plasma based on direct introduction into the DART-MS/MS system. Reasonable precision and accuracy (%CV and %Error, both \\textless10%) were achieved of a significant number of compounds tested in biological fluids. In addition, the limit of detection for 80% of the tested compounds reached 5 ng/mL or lower which is sufficient for pharmaceutical drug discovery support. Finally, experimental conditions that significantly impacted assay performance were investigated with respect to optimization and limitation. Because of its simplicity, fast data acquisition (3-5 s) and low cost, DART has the potential to significantly impact quantitative pharmaceutical analysis in biological matrices.\n
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\n \n\n \n \n \n \n \n Prevalence and Detection of Counterfeit Pharmaceuticals: A Mini Review.\n \n \n \n\n\n \n Fernandez, F. M.; Green, M. D.; and Newton, P. N.\n\n\n \n\n\n\n Ind. Eng. Chem. Res., 47(3): 585–590. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{fernandez_prevalence_2008,\n\ttitle = {Prevalence and {Detection} of {Counterfeit} {Pharmaceuticals}: {A} {Mini} {Review}},\n\tvolume = {47},\n\tissn = {0888-5885},\n\tabstract = {Counterfeit drugs are a widespread, important public health problem. This mini review reports on the current status of the issue of drug counterfeiting, with special emphasis on our findings on counterfeit anti-infectives, and the new detection tools being developed to identify and characterize fake drugs.},\n\tnumber = {3},\n\tjournal = {Ind. Eng. Chem. Res.},\n\tauthor = {Fernandez, F. M. and Green, M. D. and Newton, P. N.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {585--590},\n}\n\n\n\n
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\n Counterfeit drugs are a widespread, important public health problem. This mini review reports on the current status of the issue of drug counterfeiting, with special emphasis on our findings on counterfeit anti-infectives, and the new detection tools being developed to identify and characterize fake drugs.\n
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\n \n\n \n \n \n \n \n Pharmacokinetic analysis of anti-allergy and anti-inflammation bioactives in a nettle (Urtica dioica) extract.\n \n \n \n\n\n \n Ayers, S.; Roschek, B. J.; Williams, J.; and Alberte, R.\n\n\n \n\n\n\n Online Journal of Pharmacology and PharmacoKinetics, 5: 6–21. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{ayers_pharmacokinetic_2008,\n\ttitle = {Pharmacokinetic analysis of anti-allergy and anti-inflammation bioactives in a nettle ({Urtica} dioica) extract.},\n\tvolume = {5},\n\tabstract = {Pharmacokinetic analyses were conducted using DART TOF-MS on the uptake of bioactive components present in a nettle (Urtica dioica) extract delivered orally as a lozenge. Previously adenine, synephrine, osthole, and nicotinamide were shown to be key bioactives contributing to the anti-inflammatory and anti-allergy properties of the nettle extract (Roschek et al, 2009). Average serum concentrations of adenine reached 35.2 nmol L-1, nicotinamide reached 8.7 nmol L-1, osthole reached 11.0 nmol L-1, and synephrine reached 107.4 nmol L-1. These serum levels are equivalent to 0.3\\%, 0.2\\%, 0.2\\%, and 1.6\\% oral bioavailability for adenine, synephrine, osthole and nicotinamide respectively. Urine concentrations for adenine, nicotinamide, synephrine, and osthole reached 4.9 nmol L-1, 2.5 nmol L-1, 6.6 nmol L-1, and 0.2 nmol L-1, respectively. The major pharmacokinetic parameters (Cmax, Tmax, T1/2) were determined and compared for serum and urine. For all three of the compounds, Cmax values decreased 2- to 16-fold in urine compared to serum, Tmax values increased 2- to 12-fold, and T1/2 values increased 2- to 10-fold. Molecular modeling revealed that these compounds were not likely to cross the blood-brain barrier, particularly important for the anti-histamine bioactives to ensure a non-drowsy activity. These results show that antiinflammatory and anti-allergenic compounds in nettle are readily absorbed into the body and excreted in the urine when a nettle extract is delivered orally as a lozenge. In addition, DART TOF-MS is useful in quantifying multiple components in biological matrices with little or no sample preparation.},\n\tjournal = {Online Journal of Pharmacology and PharmacoKinetics},\n\tauthor = {Ayers, S. and Roschek, B. Jr and Williams, J.M. and Alberte, R.S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {6--21},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Pharmacokinetic analyses were conducted using DART TOF-MS on the uptake of bioactive components present in a nettle (Urtica dioica) extract delivered orally as a lozenge. Previously adenine, synephrine, osthole, and nicotinamide were shown to be key bioactives contributing to the anti-inflammatory and anti-allergy properties of the nettle extract (Roschek et al, 2009). Average serum concentrations of adenine reached 35.2 nmol L-1, nicotinamide reached 8.7 nmol L-1, osthole reached 11.0 nmol L-1, and synephrine reached 107.4 nmol L-1. These serum levels are equivalent to 0.3%, 0.2%, 0.2%, and 1.6% oral bioavailability for adenine, synephrine, osthole and nicotinamide respectively. Urine concentrations for adenine, nicotinamide, synephrine, and osthole reached 4.9 nmol L-1, 2.5 nmol L-1, 6.6 nmol L-1, and 0.2 nmol L-1, respectively. The major pharmacokinetic parameters (Cmax, Tmax, T1/2) were determined and compared for serum and urine. For all three of the compounds, Cmax values decreased 2- to 16-fold in urine compared to serum, Tmax values increased 2- to 12-fold, and T1/2 values increased 2- to 10-fold. Molecular modeling revealed that these compounds were not likely to cross the blood-brain barrier, particularly important for the anti-histamine bioactives to ensure a non-drowsy activity. These results show that antiinflammatory and anti-allergenic compounds in nettle are readily absorbed into the body and excreted in the urine when a nettle extract is delivered orally as a lozenge. In addition, DART TOF-MS is useful in quantifying multiple components in biological matrices with little or no sample preparation.\n
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\n \n\n \n \n \n \n \n An Inexpensive Autosampler to Maximize Throughput for an Ion Source that Samples Surfaces in Open Air.\n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Environmental Forensics, 9(2): 127–136. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_inexpensive_2008,\n\ttitle = {An {Inexpensive} {Autosampler} to {Maximize} {Throughput} for an {Ion} {Source} that {Samples} {Surfaces} in {Open} {Air}},\n\tvolume = {9},\n\tissn = {1527-5922},\n\tabstract = {Rapid analysis of hundreds of wipe samples after a chemical dispersion event is essential for quickly characterizing the hazard posed to the public. An autosampler was built to pull 76 cotton swabs mounted along a 91-cm (3-foot) long, square aluminum rod in open air, through the ionizing beam of a direct analysis in real time (DART) ion source interfaced to a time-of-flight mass spectrometer. The rod and swabs mounted on N-scale model railroad flat cars were pulled through the ion source in 7.5 min by a 7-rpm motor. Percent relative standard deviations (\\%RSDs) of 18.5\\% to 21.3\\% were obtained for the chromatographic peak areas of the protonated molecule. Maximum-to-minimum ratios of the areas were between 2.22 and 2.71. Measured exact masses of analyte ions were always accurate to within 1 mDa.},\n\tnumber = {2},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, Andrew H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {127--136},\n}\n\n\n\n
\n
\n\n\n
\n Rapid analysis of hundreds of wipe samples after a chemical dispersion event is essential for quickly characterizing the hazard posed to the public. An autosampler was built to pull 76 cotton swabs mounted along a 91-cm (3-foot) long, square aluminum rod in open air, through the ionizing beam of a direct analysis in real time (DART) ion source interfaced to a time-of-flight mass spectrometer. The rod and swabs mounted on N-scale model railroad flat cars were pulled through the ion source in 7.5 min by a 7-rpm motor. Percent relative standard deviations (%RSDs) of 18.5% to 21.3% were obtained for the chromatographic peak areas of the protonated molecule. Maximum-to-minimum ratios of the areas were between 2.22 and 2.71. Measured exact masses of analyte ions were always accurate to within 1 mDa.\n
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\n \n\n \n \n \n \n \n \n Rapid and sensitive determination of acrylamide in drinking water by planar chromatography and fluorescence detection after derivatization with dansulfinic acid.\n \n \n \n \n\n\n \n Alpmann, A.; and Morlock, G.\n\n\n \n\n\n\n Journal of Separation Science, 31(1): 71–77. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{alpmann_rapid_2008,\n\ttitle = {Rapid and sensitive determination of acrylamide in drinking water by planar chromatography and fluorescence detection after derivatization with dansulfinic acid},\n\tvolume = {31},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.200700391},\n\tabstract = {On the basis of a novel derivatization, a new planar chromatographic method has been developed for the determination of acrylamide (AA) in drinking water at the ultra-trace level. After SPE, the water extracts were oversprayed on a high-performance thin-layer chromatography (HPTLC) silica gel plate with the derivatization agent dansulfinic acid and derivatized in situ. Chromatography was performed with ethyl acetate and the fluorescent product was quantified at 366/{\\textgreater}400 nm. Verification was based on HPTLC-ESI/MS, HPTLC-direct analysis in real-time (DART)-TOF/MS and NMR. The routine HPTLC-fluorescence detection (FLD) method was validated for spiked drinking water. The regression analysis was linear (r {\\textgreater}0.9918) in the range of 0.1-0.4 mug/L. LOD was calculated to be 0.025 mug/L and experimentally proved for spiked samples at levels down to 0.05 mug/L (S/N = 6) which was suited for monitoring the EU limit value of 0.1 mug/L in drinking water (0.5 mug/L demanded by World Health Organization (WHO)/US Environmental Protection Agency (EPA)). Within-run precision and the mean between-run precision (RSD, n = 3, three concentration levels each) were evaluated to be 4.8 and 11.0\\%, respectively. The mean recovery (0.1, 0.2, and 0.3 mug/L) was 96\\% corrected by the internal standard. The method, in comparison with HPLC-MS/MS showed comparable results and demonstrated the accuracy of the method.},\n\tnumber = {1},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Alpmann, Alexander and Morlock, Gertrud},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {71--77},\n}\n\n\n\n
\n
\n\n\n
\n On the basis of a novel derivatization, a new planar chromatographic method has been developed for the determination of acrylamide (AA) in drinking water at the ultra-trace level. After SPE, the water extracts were oversprayed on a high-performance thin-layer chromatography (HPTLC) silica gel plate with the derivatization agent dansulfinic acid and derivatized in situ. Chromatography was performed with ethyl acetate and the fluorescent product was quantified at 366/\\textgreater400 nm. Verification was based on HPTLC-ESI/MS, HPTLC-direct analysis in real-time (DART)-TOF/MS and NMR. The routine HPTLC-fluorescence detection (FLD) method was validated for spiked drinking water. The regression analysis was linear (r \\textgreater0.9918) in the range of 0.1-0.4 mug/L. LOD was calculated to be 0.025 mug/L and experimentally proved for spiked samples at levels down to 0.05 mug/L (S/N = 6) which was suited for monitoring the EU limit value of 0.1 mug/L in drinking water (0.5 mug/L demanded by World Health Organization (WHO)/US Environmental Protection Agency (EPA)). Within-run precision and the mean between-run precision (RSD, n = 3, three concentration levels each) were evaluated to be 4.8 and 11.0%, respectively. The mean recovery (0.1, 0.2, and 0.3 mug/L) was 96% corrected by the internal standard. The method, in comparison with HPLC-MS/MS showed comparable results and demonstrated the accuracy of the method.\n
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\n \n\n \n \n \n \n \n Direct analysis in real time–time-of-flight mass spectrometry: Analysis of pesticide residues and environmental contaminants.\n \n \n \n\n\n \n Vaclavik, L.; Schurek, J.; Cajka, T.; and Hajslova, J.\n\n\n \n\n\n\n Chemicke Listy, 102: s324–s327. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_direct_2008,\n\ttitle = {Direct analysis in real time–time-of-flight mass spectrometry: {Analysis} of pesticide residues and environmental contaminants.},\n\tvolume = {102},\n\tjournal = {Chemicke Listy},\n\tauthor = {Vaclavik, L. and Schurek, J. and Cajka, T. and Hajslova, J.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {s324--s327},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n DART–TOFMS: A Challenging Approach in Rapid Monitoring of Brominated Flame Retardants in Environmental Matrices.\n \n \n \n\n\n \n Hajslova, J.; Vaclavik, L.; Pulkrabova, J.; Poustka, J.; and Cajka, T.\n\n\n \n\n\n\n Organohalogen Compounds, 70: 922–925. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{hajslova_darttofms:_2008,\n\ttitle = {{DART}–{TOFMS}: {A} {Challenging} {Approach} in {Rapid} {Monitoring} of {Brominated} {Flame} {Retardants} in {Environmental} {Matrices}},\n\tvolume = {70},\n\tjournal = {Organohalogen Compounds},\n\tauthor = {Hajslova, J. and Vaclavik, L. and Pulkrabova, J. and Poustka, J. and Cajka, T.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {922--925},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n HRMS Directly From TLC Slides. A Powerful Tool for Rapid Analysis of Organic Mixtures.\n \n \n \n\n\n \n Smith, N. J.; Domin, M. A.; and Scott, L. T.\n\n\n \n\n\n\n Organic Letters, 10(16): 3493–3496. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{smith_hrms_2008,\n\ttitle = {{HRMS} {Directly} {From} {TLC} {Slides}. {A} {Powerful} {Tool} for {Rapid} {Analysis} of {Organic} {Mixtures}},\n\tvolume = {10},\n\tissn = {1523-7060},\n\tabstract = {Abstract: High-resolution mass spectra (HRMS) of individual spots on thin-layer chromatography (TLC) slides can now be obtained quickly and easily at atmospheric pressure, with zero sample preparation, using commercially available instrumentation. The method is complementary to GC mass spectrometry but is not limited to compounds of high volatility and high thermal stability. TLC HRMS can be used to monitor chemical reactions in real time and has the capacity thereby to accelerate significantly the pace of synthetic organic chemistry.},\n\tnumber = {16},\n\tjournal = {Organic Letters},\n\tauthor = {Smith, Natalie J. and Domin, Marek A. and Scott, Lawrence T.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {3493--3496},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Abstract: High-resolution mass spectra (HRMS) of individual spots on thin-layer chromatography (TLC) slides can now be obtained quickly and easily at atmospheric pressure, with zero sample preparation, using commercially available instrumentation. The method is complementary to GC mass spectrometry but is not limited to compounds of high volatility and high thermal stability. TLC HRMS can be used to monitor chemical reactions in real time and has the capacity thereby to accelerate significantly the pace of synthetic organic chemistry.\n
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\n \n\n \n \n \n \n \n Implementation of DART and DESI Ionization on a Fieldable Mass Spectrometer.\n \n \n \n\n\n \n Wells, J. M.; Roth, M. J.; Keil, A. D.; Grossenbacher, J. W.; Justes, D. R.; Patterson, G. E.; and Barket Jr., D. J.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 19(10): 1419–1424. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{wells_implementation_2008,\n\ttitle = {Implementation of {DART} and {DESI} {Ionization} on a {Fieldable} {Mass} {Spectrometer}},\n\tvolume = {19},\n\tdoi = {10.1016/j.jasms.2008.06.028},\n\tabstract = {A recently developed prototype mobile laboratory mass spectrometer, incorporating an atmospheric pressure ionization (API) interface, is described. This system takes advantage of the small size, lower voltage requirements, and tandem MS abilities of the cylindrical ion trap mass analyzer. The prototype API MS uses small, low-power pumps to fit into a 0.1-m3 self-contained package weighing less than 45 kg. This instrument has been adapted to allow rapid interfacing to electrospray ionization, desorption electrospray ionization, and direct analysis in real-time sources. Initial data indicate that these techniques provide rapid detection and identification of compounds for quality control, homeland security, and forensic applications. In addition, this instrument is self-contained and compact, making it ideally extensible to mobile laboratory and field analyses. Initial MS and MS/MS data for analyses of drugs, food, and explosives are presented herein.},\n\tnumber = {10},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Wells, J. Mitchell and Roth, Michael J. and Keil, Adam D. and Grossenbacher, John W. and Justes, Dina R. and Patterson, Garth E. and Barket Jr., Dennis J.},\n\tyear = {2008},\n\tkeywords = {Griffin},\n\tpages = {1419--1424},\n}\n\n\n\n
\n
\n\n\n
\n A recently developed prototype mobile laboratory mass spectrometer, incorporating an atmospheric pressure ionization (API) interface, is described. This system takes advantage of the small size, lower voltage requirements, and tandem MS abilities of the cylindrical ion trap mass analyzer. The prototype API MS uses small, low-power pumps to fit into a 0.1-m3 self-contained package weighing less than 45 kg. This instrument has been adapted to allow rapid interfacing to electrospray ionization, desorption electrospray ionization, and direct analysis in real-time sources. Initial data indicate that these techniques provide rapid detection and identification of compounds for quality control, homeland security, and forensic applications. In addition, this instrument is self-contained and compact, making it ideally extensible to mobile laboratory and field analyses. Initial MS and MS/MS data for analyses of drugs, food, and explosives are presented herein.\n
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\n \n\n \n \n \n \n \n Analysis of cell cultures of Taxus wallichiana using direct analysis in real-time mass spectrometric technique.\n \n \n \n\n\n \n Banerjee, S.; Madhusudanan, K. P.; Khanuja, S. P. S.; and Chattopadhyay, S. K.\n\n\n \n\n\n\n Biomedical Chromatography, 22(3): 250–253. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{banerjee_analysis_2008,\n\ttitle = {Analysis of cell cultures of {Taxus} wallichiana using direct analysis in real-time mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the calli of Taxus wallichiana. The intact callus samples were directly analyzed by holding them in the gap between the DART source and mass spectrometer for measurements. Five C-14 oxygenated taxoids were characterized from the analysis of the calli of the Taxus wallichiana almost instantaneously. The confirmation of the structures of the identified taxoids was made through their accurate molecular formula determinations.},\n\tnumber = {3},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Banerjee, Suchitra and Madhusudanan, K. P. and Khanuja, Suman P. S. and Chattopadhyay, Sunil K.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {250--253},\n}\n\n\n\n
\n
\n\n\n
\n The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the calli of Taxus wallichiana. The intact callus samples were directly analyzed by holding them in the gap between the DART source and mass spectrometer for measurements. Five C-14 oxygenated taxoids were characterized from the analysis of the calli of the Taxus wallichiana almost instantaneously. The confirmation of the structures of the identified taxoids was made through their accurate molecular formula determinations.\n
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\n \n\n \n \n \n \n \n Direct analysis in real time–time-of-flight mass spectrometry: Analysis of pesticide residues and environmental contaminants.\n \n \n \n\n\n \n Vaclavik, L.; Schurek, J.; Cajka, T.; and Hajslova, J.\n\n\n \n\n\n\n Chemicke Listy, 102: s324–s327. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_direct_2008,\n\ttitle = {Direct analysis in real time–time-of-flight mass spectrometry: {Analysis} of pesticide residues and environmental contaminants.},\n\tvolume = {102},\n\tjournal = {Chemicke Listy},\n\tauthor = {Vaclavik, L. and Schurek, J. and Cajka, T. and Hajslova, J.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {s324--s327},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Implementation of DART and DESI Ionization on a Fieldable Mass Spectrometer.\n \n \n \n\n\n \n Wells, J. M.; Roth, M. J.; Keil, A. D.; Grossenbacher, J. W.; Justes, D. R.; Patterson, G. E.; and Barket Jr., D. J.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 19(10): 1419–1424. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{wells_implementation_2008,\n\ttitle = {Implementation of {DART} and {DESI} {Ionization} on a {Fieldable} {Mass} {Spectrometer}},\n\tvolume = {19},\n\tdoi = {10.1016/j.jasms.2008.06.028},\n\tabstract = {A recently developed prototype mobile laboratory mass spectrometer, incorporating an atmospheric pressure ionization (API) interface, is described. This system takes advantage of the small size, lower voltage requirements, and tandem MS abilities of the cylindrical ion trap mass analyzer. The prototype API MS uses small, low-power pumps to fit into a 0.1-m3 self-contained package weighing less than 45 kg. This instrument has been adapted to allow rapid interfacing to electrospray ionization, desorption electrospray ionization, and direct analysis in real-time sources. Initial data indicate that these techniques provide rapid detection and identification of compounds for quality control, homeland security, and forensic applications. In addition, this instrument is self-contained and compact, making it ideally extensible to mobile laboratory and field analyses. Initial MS and MS/MS data for analyses of drugs, food, and explosives are presented herein.},\n\tnumber = {10},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Wells, J. Mitchell and Roth, Michael J. and Keil, Adam D. and Grossenbacher, John W. and Justes, Dina R. and Patterson, Garth E. and Barket Jr., Dennis J.},\n\tyear = {2008},\n\tkeywords = {Griffin},\n\tpages = {1419--1424},\n}\n\n\n\n
\n
\n\n\n
\n A recently developed prototype mobile laboratory mass spectrometer, incorporating an atmospheric pressure ionization (API) interface, is described. This system takes advantage of the small size, lower voltage requirements, and tandem MS abilities of the cylindrical ion trap mass analyzer. The prototype API MS uses small, low-power pumps to fit into a 0.1-m3 self-contained package weighing less than 45 kg. This instrument has been adapted to allow rapid interfacing to electrospray ionization, desorption electrospray ionization, and direct analysis in real-time sources. Initial data indicate that these techniques provide rapid detection and identification of compounds for quality control, homeland security, and forensic applications. In addition, this instrument is self-contained and compact, making it ideally extensible to mobile laboratory and field analyses. Initial MS and MS/MS data for analyses of drugs, food, and explosives are presented herein.\n
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\n \n\n \n \n \n \n \n Pharmacokinetics of Cyanidin and Anti-Influenza Phytonutrients in an Elder Berry Extract Determined by LC-MS and DART TOF-MS.\n \n \n \n\n\n \n Roschek Jr., B.; and Alberte, R.\n\n\n \n\n\n\n Online Journal of Pharmacology and Pharmacokinetics, 4: 1–17. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{roschek_jr._pharmacokinetics_2008,\n\ttitle = {Pharmacokinetics of {Cyanidin} and {Anti}-{Influenza} {Phytonutrients} in an {Elder} {Berry} {Extract} {Determined} by {LC}-{MS} and {DART} {TOF}-{MS}},\n\tvolume = {4},\n\tjournal = {Online Journal of Pharmacology and Pharmacokinetics},\n\tauthor = {Roschek Jr., B. and Alberte, R.S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {1--17},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Quantification of small molecules in plasma with direct analysis in real time tandem mass spectrometry, without sample preparation and liquid chromatographic separation.\n \n \n \n\n\n \n Zhao, Y.; Lam, M.; Wu, D.; and R., M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 22(20): 3217–3224. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhao_quantification_2008,\n\ttitle = {Quantification of small molecules in plasma with direct analysis in real time tandem mass spectrometry, without sample preparation and liquid chromatographic separation.},\n\tvolume = {22},\n\tabstract = {Recently, a new ion source, Direct Analysis in Real Time (DART), has been introduced which allows direct biological sample introduction into a mass spectrometry (MS) system. The elimination of conventionally required sample preparation and separation by high-performance liquid chromatography (HPLC) prior to MS analysis represents a remarkable opportunity to reduce assay turn-around time, environmental impact and capital/manpower investment. This new technology initially was used in various qualitative applications to directly detect chemicals on solid surfaces, in liquids and gases. In this study, a DART source operating under ambient pressure with ground potential was installed onto a Sciex 4000 tandem mass spectrometer and employed in the sample analysis of plasma based on direct introduction into the DART-MS/MS system. Reasonable precision and accuracy (\\%CV and \\%Error, both {\\textless}10\\%) were achieved of a significant number of compounds tested in biological fluids. In addition, the limit of detection for 80\\% of the tested compounds reached 5 ng/mL or lower which is sufficient for pharmaceutical drug discovery support. Finally, experimental conditions that significantly impacted assay performance were investigated with respect to optimization and limitation. Because of its simplicity, fast data acquisition (3-5 s) and low cost, DART has the potential to significantly impact quantitative pharmaceutical analysis in biological matrices.},\n\tnumber = {20},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Zhao, Y. and Lam, M. and Wu, D. and R., Mak},\n\tyear = {2008},\n\tkeywords = {Applied Biosystems Triple Quad},\n\tpages = {3217--3224},\n}\n\n\n\n
\n
\n\n\n
\n Recently, a new ion source, Direct Analysis in Real Time (DART), has been introduced which allows direct biological sample introduction into a mass spectrometry (MS) system. The elimination of conventionally required sample preparation and separation by high-performance liquid chromatography (HPLC) prior to MS analysis represents a remarkable opportunity to reduce assay turn-around time, environmental impact and capital/manpower investment. This new technology initially was used in various qualitative applications to directly detect chemicals on solid surfaces, in liquids and gases. In this study, a DART source operating under ambient pressure with ground potential was installed onto a Sciex 4000 tandem mass spectrometer and employed in the sample analysis of plasma based on direct introduction into the DART-MS/MS system. Reasonable precision and accuracy (%CV and %Error, both \\textless10%) were achieved of a significant number of compounds tested in biological fluids. In addition, the limit of detection for 80% of the tested compounds reached 5 ng/mL or lower which is sufficient for pharmaceutical drug discovery support. Finally, experimental conditions that significantly impacted assay performance were investigated with respect to optimization and limitation. Because of its simplicity, fast data acquisition (3-5 s) and low cost, DART has the potential to significantly impact quantitative pharmaceutical analysis in biological matrices.\n
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\n \n\n \n \n \n \n \n Cuticular hydrocarbon analysis of an awake behaving fly using direct analysis in real-time time-of-flight mass spectrometry.\n \n \n \n\n\n \n Yew, J. Y.; Cody, R. B.; and Kravitz, E. A.\n\n\n \n\n\n\n Proceedings of the National Academy of Sciences, 105(20): 7135–7140. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{yew_cuticular_2008,\n\ttitle = {Cuticular hydrocarbon analysis of an awake behaving fly using direct analysis in real-time time-of-flight mass spectrometry},\n\tvolume = {105},\n\tdoi = {10.1073/pnas.0802692105},\n\tabstract = {In mammals and insects, pheromones strongly influence social behaviors such as aggression and mate recognition. In , pheromones in the form of cuticular hydrocarbons play prominent roles in courtship. GC/MS is the primary analytical tool currently used to study cuticular hydrocarbons. Although GC/MS is highly reproducible and sensitive, it requires that the fly be placed in a lethal solution of organic solvent, thereby impeding further behavioral studies. We present a technique for the analysis of hydrocarbons and other surface molecules from live animals by using direct analysis in real-time (DART) MS. Cuticular hydrocarbons were sampled from the surface of a restrained, awake behaving fly by using several brief, carefully controlled depressions of the abdomen with a small steel probe. DART mass spectral analysis of the probe detected ions with mass-to-charge ratio (/) of the protonated molecule corresponding to many of the previously identified unsaturated hydrocarbons. Six additional cuticular hydrocarbons also were identified. Consistent with previous GC/MS studies, male and female differences in chemical composition were evident. Spatial differences in the expression profile also were observed on males. Sampling from an individual female first as a virgin and then 45 and 90 min after successful copulation showed that mass signals likely to correspond to -vaccenyl acetate, tricosene, and pentacosene increased in relative intensity after courtship. This method provides near-instantaneous analysis of an individual animal's chemical profile in parallel with behavioral studies and could be extended to other models of pheromone-mediated behavior.},\n\tnumber = {20},\n\tjournal = {Proceedings of the National Academy of Sciences},\n\tauthor = {Yew, Joanne Y. and Cody, Robert B. and Kravitz, Edward A.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {7135--7140},\n}\n\n\n\n
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\n In mammals and insects, pheromones strongly influence social behaviors such as aggression and mate recognition. In , pheromones in the form of cuticular hydrocarbons play prominent roles in courtship. GC/MS is the primary analytical tool currently used to study cuticular hydrocarbons. Although GC/MS is highly reproducible and sensitive, it requires that the fly be placed in a lethal solution of organic solvent, thereby impeding further behavioral studies. We present a technique for the analysis of hydrocarbons and other surface molecules from live animals by using direct analysis in real-time (DART) MS. Cuticular hydrocarbons were sampled from the surface of a restrained, awake behaving fly by using several brief, carefully controlled depressions of the abdomen with a small steel probe. DART mass spectral analysis of the probe detected ions with mass-to-charge ratio (/) of the protonated molecule corresponding to many of the previously identified unsaturated hydrocarbons. Six additional cuticular hydrocarbons also were identified. Consistent with previous GC/MS studies, male and female differences in chemical composition were evident. Spatial differences in the expression profile also were observed on males. Sampling from an individual female first as a virgin and then 45 and 90 min after successful copulation showed that mass signals likely to correspond to -vaccenyl acetate, tricosene, and pentacosene increased in relative intensity after courtship. This method provides near-instantaneous analysis of an individual animal's chemical profile in parallel with behavioral studies and could be extended to other models of pheromone-mediated behavior.\n
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\n \n\n \n \n \n \n \n A Collaborative Epidemiological Investigation into the Criminal Fake Artesunate Trade in South East Asia.\n \n \n \n\n\n \n Newton, P. N.; Fernandez, F. M.; Plancon, A.; Mildenhall, D. C.; Green, M. D.; Ziyong, L.; Christophel, E. M.; Phanouvong, S.; Howells, S.; McIntosh, E.; Laurin, P.; Blum, N.; Hampton, C. Y.; Faure, K.; Nyadong, L.; Soong, C. W. R.; Santoso, B.; Zhiguang, W.; Newton, J.; and Palmer, K.\n\n\n \n\n\n\n PLoS Medicine, 5(2): e32. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{newton_collaborative_2008,\n\ttitle = {A {Collaborative} {Epidemiological} {Investigation} into the {Criminal} {Fake} {Artesunate} {Trade} in {South} {East} {Asia}},\n\tvolume = {5},\n\tabstract = {BackgroundSince 1998 the serious public health problem in South East Asia of counterfeit artesunate, containing no or subtherapeutic amounts of the active antimalarial ingredient, has led to deaths from untreated malaria, reduced confidence in this vital drug, large economic losses for the legitimate manufacturers, and concerns that artemisinin resistance might be engendered.Methods and FindingsWith evidence of a deteriorating situation, a group of police, criminal analysts, chemists, palynologists, and health workers collaborated to determine the source of these counterfeits under the auspices of the International Criminal Police Organization (INTERPOL) and the Western Pacific World Health Organization Regional Office. A total of 391 samples of genuine and counterfeit artesunate collected in Vietnam (75), Cambodia (48), Lao PDR (115), Myanmar (Burma) (137) and the Thai/Myanmar border (16), were available for analysis. Sixteen different fake hologram types were identified. High-performance liquid chromatography and/or mass spectrometry confirmed that all specimens thought to be counterfeit (195/391, 49.9\\%) on the basis of packaging contained no or small quantities of artesunate (up to 12 mg per tablet as opposed to ∼ 50 mg per genuine tablet). Chemical analysis demonstrated a wide diversity of wrong active ingredients, including banned pharmaceuticals, such as metamizole, and safrole, a carcinogen, and raw material for manufacture of methylenedioxymethamphetamine (‘ecstasy'). Evidence from chemical, mineralogical, biological, and packaging analysis suggested that at least some of the counterfeits were manufactured in southeast People's Republic of China. This evidence prompted the Chinese Government to act quickly against the criminal traders with arrests and seizures.ConclusionsAn international multi-disciplinary group obtained evidence that some of the counterfeit artesunate was manufactured in China, and this prompted a criminal investigation. International cross-disciplinary collaborations may be appropriate in the investigation of other serious counterfeit medicine public health problems elsewhere, but strengthening of international collaborations and forensic and drug regulatory authority capacity will be required.},\n\tnumber = {2},\n\tjournal = {PLoS Medicine},\n\tauthor = {Newton, Paul N. and Fernandez, Facundo M. and Plancon, Aline and Mildenhall, Dallas C. and Green, Michael D. and Ziyong, Li and Christophel, Eva Maria and Phanouvong, Souly and Howells, Stephen and McIntosh, Eric and Laurin, Paul and Blum, Nancy and Hampton, Christina Y. and Faure, Kevin and Nyadong, Leonard and Soong, C. W. Ray and Santoso, Budiono and Zhiguang, Wang and Newton, John and Palmer, Kevin},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {e32},\n}\n\n\n\n
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\n\n\n
\n BackgroundSince 1998 the serious public health problem in South East Asia of counterfeit artesunate, containing no or subtherapeutic amounts of the active antimalarial ingredient, has led to deaths from untreated malaria, reduced confidence in this vital drug, large economic losses for the legitimate manufacturers, and concerns that artemisinin resistance might be engendered.Methods and FindingsWith evidence of a deteriorating situation, a group of police, criminal analysts, chemists, palynologists, and health workers collaborated to determine the source of these counterfeits under the auspices of the International Criminal Police Organization (INTERPOL) and the Western Pacific World Health Organization Regional Office. A total of 391 samples of genuine and counterfeit artesunate collected in Vietnam (75), Cambodia (48), Lao PDR (115), Myanmar (Burma) (137) and the Thai/Myanmar border (16), were available for analysis. Sixteen different fake hologram types were identified. High-performance liquid chromatography and/or mass spectrometry confirmed that all specimens thought to be counterfeit (195/391, 49.9%) on the basis of packaging contained no or small quantities of artesunate (up to 12 mg per tablet as opposed to ∼ 50 mg per genuine tablet). Chemical analysis demonstrated a wide diversity of wrong active ingredients, including banned pharmaceuticals, such as metamizole, and safrole, a carcinogen, and raw material for manufacture of methylenedioxymethamphetamine (‘ecstasy'). Evidence from chemical, mineralogical, biological, and packaging analysis suggested that at least some of the counterfeits were manufactured in southeast People's Republic of China. This evidence prompted the Chinese Government to act quickly against the criminal traders with arrests and seizures.ConclusionsAn international multi-disciplinary group obtained evidence that some of the counterfeit artesunate was manufactured in China, and this prompted a criminal investigation. International cross-disciplinary collaborations may be appropriate in the investigation of other serious counterfeit medicine public health problems elsewhere, but strengthening of international collaborations and forensic and drug regulatory authority capacity will be required.\n
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\n \n\n \n \n \n \n \n Control of Strobilurin Fungicides in Wheat Using Direct Analysis in Real Time Accurate Time-of-Flight and Desorption Electrospray Ionization Linear Ion Trap Mass Spectrometry.\n \n \n \n\n\n \n Schurek, J.; Vaclavik, L.; Hooijerink, H.; Lacina, O.; Poustka, J.; Sharman, M.; Caldow, M.; Nielen, M. W. F.; and Hajslova, J.\n\n\n \n\n\n\n Analytical Chemistry, 80(24): 9567–9575. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{schurek_control_2008,\n\ttitle = {Control of {Strobilurin} {Fungicides} in {Wheat} {Using} {Direct} {Analysis} in {Real} {Time} {Accurate} {Time}-of-{Flight} and {Desorption} {Electrospray} {Ionization} {Linear} {Ion} {Trap} {Mass} {Spectrometry}},\n\tvolume = {80},\n\tdoi = {10.1021/ac8018137},\n\tabstract = {Ambient mass spectrometry has been used for the analysis of strobilurin residues in wheat. The use of this novel, challenging technique, employing a direct analysis in a real time (DART) ion-source coupled with a time-of-flight mass spectrometer (TOF MS) and a desorption electrospray ionization (DESI) source coupled with a linear ion trap tandem MS (LIT MSn), permitted a direct screen of the occurrence of target fungicides in treated grains in less than 1 min. For quantification purpose by DART-TOF MS, an ethyl acetate extract had to be prepared. With the use of a prochloraz as an internal standard, the performance characteristics obtained by repeated analyses of extract, spiked at 50 μg kg−1 with six strobilurins (azoxystrobin, picoxystrobin, dimoxystrobin, kresoxim-methyl, pyraclostrobin, and trifloxystrobin), were in the following range: recoveries 78−92\\%, repeatability (RSD) 8−15\\%, linearity (R2) 0.9900−0.9978. The analysis of wheat with incurred strobilurin residues demonstrated good trueness of data generated by the DART-TOF MS method; the results were in a good agreement with those obtained by the conventional approach, i.e., by the QuEChERS sample handling procedure followed by identification/quantification employing high-performance liquid chromatography coupled with tandem mass spectrometry (LC−MS/MS). Tandem mass spectrometry using DESI-LIT MSn provided a sufficient number of product ions for confirmation of the identity of azoxystrobin and pyraclostrobin in incurred wheat samples.},\n\tnumber = {24},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Schurek, Jakub and Vaclavik, Lukas and Hooijerink, H. and Lacina, Ondrej and Poustka, Jan and Sharman, Matthew and Caldow, Marianne and Nielen, Michel W. F. and Hajslova, Jana},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {9567--9575},\n}\n\n\n\n
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\n Ambient mass spectrometry has been used for the analysis of strobilurin residues in wheat. The use of this novel, challenging technique, employing a direct analysis in a real time (DART) ion-source coupled with a time-of-flight mass spectrometer (TOF MS) and a desorption electrospray ionization (DESI) source coupled with a linear ion trap tandem MS (LIT MSn), permitted a direct screen of the occurrence of target fungicides in treated grains in less than 1 min. For quantification purpose by DART-TOF MS, an ethyl acetate extract had to be prepared. With the use of a prochloraz as an internal standard, the performance characteristics obtained by repeated analyses of extract, spiked at 50 μg kg−1 with six strobilurins (azoxystrobin, picoxystrobin, dimoxystrobin, kresoxim-methyl, pyraclostrobin, and trifloxystrobin), were in the following range: recoveries 78−92%, repeatability (RSD) 8−15%, linearity (R2) 0.9900−0.9978. The analysis of wheat with incurred strobilurin residues demonstrated good trueness of data generated by the DART-TOF MS method; the results were in a good agreement with those obtained by the conventional approach, i.e., by the QuEChERS sample handling procedure followed by identification/quantification employing high-performance liquid chromatography coupled with tandem mass spectrometry (LC−MS/MS). Tandem mass spectrometry using DESI-LIT MSn provided a sufficient number of product ions for confirmation of the identity of azoxystrobin and pyraclostrobin in incurred wheat samples.\n
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\n \n\n \n \n \n \n \n HRMS Directly From TLC Slides. A Powerful Tool for Rapid Analysis of Organic Mixtures.\n \n \n \n\n\n \n Smith, N. J.; Domin, M. A.; and Scott, L. T.\n\n\n \n\n\n\n Organic Letters, 10(16): 3493–3496. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{smith_hrms_2008,\n\ttitle = {{HRMS} {Directly} {From} {TLC} {Slides}. {A} {Powerful} {Tool} for {Rapid} {Analysis} of {Organic} {Mixtures}},\n\tvolume = {10},\n\tissn = {1523-7060},\n\tabstract = {Abstract: High-resolution mass spectra (HRMS) of individual spots on thin-layer chromatography (TLC) slides can now be obtained quickly and easily at atmospheric pressure, with zero sample preparation, using commercially available instrumentation. The method is complementary to GC mass spectrometry but is not limited to compounds of high volatility and high thermal stability. TLC HRMS can be used to monitor chemical reactions in real time and has the capacity thereby to accelerate significantly the pace of synthetic organic chemistry.},\n\tnumber = {16},\n\tjournal = {Organic Letters},\n\tauthor = {Smith, Natalie J. and Domin, Marek A. and Scott, Lawrence T.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {3493--3496},\n}\n\n\n\n
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\n Abstract: High-resolution mass spectra (HRMS) of individual spots on thin-layer chromatography (TLC) slides can now be obtained quickly and easily at atmospheric pressure, with zero sample preparation, using commercially available instrumentation. The method is complementary to GC mass spectrometry but is not limited to compounds of high volatility and high thermal stability. TLC HRMS can be used to monitor chemical reactions in real time and has the capacity thereby to accelerate significantly the pace of synthetic organic chemistry.\n
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\n \n\n \n \n \n \n \n Solvent Effect on the Self-Assembled Structure of an Amphiphilic Perylene Diimide Derivative.\n \n \n \n\n\n \n Yang, X.; Xu, X.; and Ji, H.\n\n\n \n\n\n\n Journal of Physical Chemistry B, 112: 7196–7202. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{yang_solvent_2008,\n\ttitle = {Solvent {Effect} on the {Self}-{Assembled} {Structure} of an {Amphiphilic} {Perylene} {Diimide} {Derivative}},\n\tvolume = {112},\n\tdoi = {10.1021/jp801413k},\n\tabstract = {An amphiphilic electron-deficient (n-type) perylene diimide has been synthesized and characterized. The diimide\ncontains a hydrophobic long chain on one end and a hydrophilic ethoxy chain on the other. The self-assembly\nof this molecule in polar and nonpolar solvents has been demonstrated by concentration- and temperaturedependent\nabsorption and fluorescence spectroscopies. Analysis of the spectral change for the aggregates\nshows typical J-aggregates for structures precipitated from polar solvents and H-aggregates for structures\nprecipitated from nonpolar solvents. SEM and TEM micrographs and a suggested packing scheme, compatible\nwith the formation of nanostrips in nonpolar solvents and nanofibers in polar solvents, are presented.},\n\tjournal = {Journal of Physical Chemistry B},\n\tauthor = {Yang, Xin and Xu, Xiaohe and Ji, Hai-Feng},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {7196--7202},\n}\n\n\n\n
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\n An amphiphilic electron-deficient (n-type) perylene diimide has been synthesized and characterized. The diimide contains a hydrophobic long chain on one end and a hydrophilic ethoxy chain on the other. The self-assembly of this molecule in polar and nonpolar solvents has been demonstrated by concentration- and temperaturedependent absorption and fluorescence spectroscopies. Analysis of the spectral change for the aggregates shows typical J-aggregates for structures precipitated from polar solvents and H-aggregates for structures precipitated from nonpolar solvents. SEM and TEM micrographs and a suggested packing scheme, compatible with the formation of nanostrips in nonpolar solvents and nanofibers in polar solvents, are presented.\n
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\n \n\n \n \n \n \n \n Prevalence and Detection of Counterfeit Pharmaceuticals: A Mini Review.\n \n \n \n\n\n \n Fernandez, F. M.; Green, M. D.; and Newton, P. N.\n\n\n \n\n\n\n Ind. Eng. Chem. Res., 47(3): 585–590. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{fernandez_prevalence_2008,\n\ttitle = {Prevalence and {Detection} of {Counterfeit} {Pharmaceuticals}: {A} {Mini} {Review}},\n\tvolume = {47},\n\tissn = {0888-5885},\n\tabstract = {Counterfeit drugs are a widespread, important public health problem. This mini review reports on the current status of the issue of drug counterfeiting, with special emphasis on our findings on counterfeit anti-infectives, and the new detection tools being developed to identify and characterize fake drugs.},\n\tnumber = {3},\n\tjournal = {Ind. Eng. Chem. Res.},\n\tauthor = {Fernandez, F. M. and Green, M. D. and Newton, P. N.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {585--590},\n}\n\n\n\n
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\n Counterfeit drugs are a widespread, important public health problem. This mini review reports on the current status of the issue of drug counterfeiting, with special emphasis on our findings on counterfeit anti-infectives, and the new detection tools being developed to identify and characterize fake drugs.\n
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\n \n\n \n \n \n \n \n \n Planar Chromatography - Back to the future?.\n \n \n \n \n\n\n \n Morlock, G.; and Schwack, W.\n\n\n \n\n\n\n LC/GC Europe, (21): 366–371. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"PlanarPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{morlock_planar_2008,\n\ttitle = {Planar {Chromatography} - {Back} to the future?},\n\turl = {http://chromatographyonline.findanalytichem.com/lcgc/article/articleDetail.jsp?id=531582&pageID=1&sk=&date=},\n\tabstract = {The importance of planar chromatography, particularly thin layer chromatography (TLC), is vastly underestimated. This article highlights\nthe unique attributes of high performance thin layer chromatography (HPTLC) compared with rival column techniques. Two advanced\napplications in planar chromatography are described to illustrate the potential of this technique: bioactivity-based detection and coupling\nwith mass spectrometry (MS).},\n\tnumber = {21},\n\tjournal = {LC/GC Europe},\n\tauthor = {Morlock, G. and Schwack, W.},\n\tyear = {2008},\n\tkeywords = {Thermo LTQ},\n\tpages = {366--371},\n}\n\n\n\n
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\n The importance of planar chromatography, particularly thin layer chromatography (TLC), is vastly underestimated. This article highlights the unique attributes of high performance thin layer chromatography (HPTLC) compared with rival column techniques. Two advanced applications in planar chromatography are described to illustrate the potential of this technique: bioactivity-based detection and coupling with mass spectrometry (MS).\n
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\n \n\n \n \n \n \n \n \n Rapid and sensitive determination of acrylamide in drinking water by planar chromatography and fluorescence detection after derivatization with dansulfinic acid.\n \n \n \n \n\n\n \n Alpmann, A.; and Morlock, G.\n\n\n \n\n\n\n Journal of Separation Science, 31(1): 71–77. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{alpmann_rapid_2008,\n\ttitle = {Rapid and sensitive determination of acrylamide in drinking water by planar chromatography and fluorescence detection after derivatization with dansulfinic acid},\n\tvolume = {31},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.200700391},\n\tabstract = {On the basis of a novel derivatization, a new planar chromatographic method has been developed for the determination of acrylamide (AA) in drinking water at the ultra-trace level. After SPE, the water extracts were oversprayed on a high-performance thin-layer chromatography (HPTLC) silica gel plate with the derivatization agent dansulfinic acid and derivatized in situ. Chromatography was performed with ethyl acetate and the fluorescent product was quantified at 366/{\\textgreater}400 nm. Verification was based on HPTLC-ESI/MS, HPTLC-direct analysis in real-time (DART)-TOF/MS and NMR. The routine HPTLC-fluorescence detection (FLD) method was validated for spiked drinking water. The regression analysis was linear (r {\\textgreater}0.9918) in the range of 0.1-0.4 mug/L. LOD was calculated to be 0.025 mug/L and experimentally proved for spiked samples at levels down to 0.05 mug/L (S/N = 6) which was suited for monitoring the EU limit value of 0.1 mug/L in drinking water (0.5 mug/L demanded by World Health Organization (WHO)/US Environmental Protection Agency (EPA)). Within-run precision and the mean between-run precision (RSD, n = 3, three concentration levels each) were evaluated to be 4.8 and 11.0\\%, respectively. The mean recovery (0.1, 0.2, and 0.3 mug/L) was 96\\% corrected by the internal standard. The method, in comparison with HPLC-MS/MS showed comparable results and demonstrated the accuracy of the method.},\n\tnumber = {1},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Alpmann, Alexander and Morlock, Gertrud},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {71--77},\n}\n\n\n\n
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\n On the basis of a novel derivatization, a new planar chromatographic method has been developed for the determination of acrylamide (AA) in drinking water at the ultra-trace level. After SPE, the water extracts were oversprayed on a high-performance thin-layer chromatography (HPTLC) silica gel plate with the derivatization agent dansulfinic acid and derivatized in situ. Chromatography was performed with ethyl acetate and the fluorescent product was quantified at 366/\\textgreater400 nm. Verification was based on HPTLC-ESI/MS, HPTLC-direct analysis in real-time (DART)-TOF/MS and NMR. The routine HPTLC-fluorescence detection (FLD) method was validated for spiked drinking water. The regression analysis was linear (r \\textgreater0.9918) in the range of 0.1-0.4 mug/L. LOD was calculated to be 0.025 mug/L and experimentally proved for spiked samples at levels down to 0.05 mug/L (S/N = 6) which was suited for monitoring the EU limit value of 0.1 mug/L in drinking water (0.5 mug/L demanded by World Health Organization (WHO)/US Environmental Protection Agency (EPA)). Within-run precision and the mean between-run precision (RSD, n = 3, three concentration levels each) were evaluated to be 4.8 and 11.0%, respectively. The mean recovery (0.1, 0.2, and 0.3 mug/L) was 96% corrected by the internal standard. The method, in comparison with HPLC-MS/MS showed comparable results and demonstrated the accuracy of the method.\n
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\n \n\n \n \n \n \n \n An Inexpensive Autosampler to Maximize Throughput for an Ion Source that Samples Surfaces in Open Air.\n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Environmental Forensics, 9(2): 127–136. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_inexpensive_2008,\n\ttitle = {An {Inexpensive} {Autosampler} to {Maximize} {Throughput} for an {Ion} {Source} that {Samples} {Surfaces} in {Open} {Air}},\n\tvolume = {9},\n\tissn = {1527-5922},\n\tabstract = {Rapid analysis of hundreds of wipe samples after a chemical dispersion event is essential for quickly characterizing the hazard posed to the public. An autosampler was built to pull 76 cotton swabs mounted along a 91-cm (3-foot) long, square aluminum rod in open air, through the ionizing beam of a direct analysis in real time (DART) ion source interfaced to a time-of-flight mass spectrometer. The rod and swabs mounted on N-scale model railroad flat cars were pulled through the ion source in 7.5 min by a 7-rpm motor. Percent relative standard deviations (\\%RSDs) of 18.5\\% to 21.3\\% were obtained for the chromatographic peak areas of the protonated molecule. Maximum-to-minimum ratios of the areas were between 2.22 and 2.71. Measured exact masses of analyte ions were always accurate to within 1 mDa.},\n\tnumber = {2},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, Andrew H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {127--136},\n}\n\n\n\n
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\n Rapid analysis of hundreds of wipe samples after a chemical dispersion event is essential for quickly characterizing the hazard posed to the public. An autosampler was built to pull 76 cotton swabs mounted along a 91-cm (3-foot) long, square aluminum rod in open air, through the ionizing beam of a direct analysis in real time (DART) ion source interfaced to a time-of-flight mass spectrometer. The rod and swabs mounted on N-scale model railroad flat cars were pulled through the ion source in 7.5 min by a 7-rpm motor. Percent relative standard deviations (%RSDs) of 18.5% to 21.3% were obtained for the chromatographic peak areas of the protonated molecule. Maximum-to-minimum ratios of the areas were between 2.22 and 2.71. Measured exact masses of analyte ions were always accurate to within 1 mDa.\n
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\n \n\n \n \n \n \n \n DART–TOFMS: A Challenging Approach in Rapid Monitoring of Brominated Flame Retardants in Environmental Matrices.\n \n \n \n\n\n \n Hajslova, J.; Vaclavik, L.; Pulkrabova, J.; Poustka, J.; and Cajka, T.\n\n\n \n\n\n\n Organohalogen Compounds, 70: 922–925. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{hajslova_darttofms:_2008,\n\ttitle = {{DART}–{TOFMS}: {A} {Challenging} {Approach} in {Rapid} {Monitoring} of {Brominated} {Flame} {Retardants} in {Environmental} {Matrices}},\n\tvolume = {70},\n\tjournal = {Organohalogen Compounds},\n\tauthor = {Hajslova, J. and Vaclavik, L. and Pulkrabova, J. and Poustka, J. and Cajka, T.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {922--925},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Expression of tropane alkaloids in the hairy root culture of Atropa acuminata substantiated by DART mass spectrometric technique.\n \n \n \n\n\n \n Banerjee, S.; Madhusudanan, K. P.; Chattopadhyay, S. K.; Rahman, L. U.; and Khanuja, S. P. S.\n\n\n \n\n\n\n Biomedical Chromatography, 22(8): 830–834. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{banerjee_expression_2008,\n\ttitle = {Expression of tropane alkaloids in the hairy root culture of {Atropa} acuminata substantiated by {DART} mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {Agrobacterium rhizogenes-mediated hairy root cultures were established in Atropa acuminata. The chemical profiling of the hairy roots was carried out by a new mass spectrometric technique, direct analysis in real time (DART). The intact hairy roots were directly analyzed by holding them in the gap between the DART ion source and mass spectrometer. Two alkaloids, atropine and scopolamine, were characterized. The structural confirmation of the two alkaloids was made through their accurate molecular formula determinations. This is the first report of establishing hairy roots in A. acuminata as well as application of the DART technique for the chemical profiling of its hairy roots.},\n\tnumber = {8},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Banerjee, Suchitra and Madhusudanan, K. P. and Chattopadhyay, Sunil K. and Rahman, Laiq Ur and Khanuja, Suman P. S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {830--834},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Agrobacterium rhizogenes-mediated hairy root cultures were established in Atropa acuminata. The chemical profiling of the hairy roots was carried out by a new mass spectrometric technique, direct analysis in real time (DART). The intact hairy roots were directly analyzed by holding them in the gap between the DART ion source and mass spectrometer. Two alkaloids, atropine and scopolamine, were characterized. The structural confirmation of the two alkaloids was made through their accurate molecular formula determinations. This is the first report of establishing hairy roots in A. acuminata as well as application of the DART technique for the chemical profiling of its hairy roots.\n
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\n \n\n \n \n \n \n \n Analytical Strategy for Rapid Identification and Quantification of Lubricant Additives in Mineral Oil by High-Performance Thin-Layer Chromatography with UV Absorption and Fluorescence Detection Combined with Mass Spectrometry and Infrared Spectroscopy.\n \n \n \n\n\n \n Dytkiewitz, E.; and Morlock, G. E.\n\n\n \n\n\n\n Journal of AOAC International, 91(5): 1237–1244. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{dytkiewitz_analytical_2008,\n\ttitle = {Analytical {Strategy} for {Rapid} {Identification} and {Quantification} of {Lubricant} {Additives} in {Mineral} {Oil} by {High}-{Performance} {Thin}-{Layer} {Chromatography} with {UV} {Absorption} and {Fluorescence} {Detection} {Combined} with {Mass} {Spectrometry} and {Infrared} {Spectroscopy}},\n\tvolume = {91},\n\tabstract = {A simple strategy for identification and quantification of lubricant additives in mineral oil was demonstrated by high-performance thin-layer chromatography with UV absorption and fluorescence detection using various coupling options, e.g., with attenuated total reflectance infrared (ATR-IR) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, electrospray ionization mass spectrometry (ESI-MS), and direct analysis in real-time mass spectrometry (DART-MS). For the additives zinc bis(O,O'-diisobutyl dithiophosphate), zinc bis(O,O'-didodecyl dithiophosphate), and Anglamol 99®, 2 chromatographic systems were developed, i.e., a reversed-phase (RP) system on RP2 plates using an acetonitrile-based mobile phase and a normal-phase system on silica gel 60 plates using a toluene-based gradient. Densitometry was performed by absorption measurement at 220 nm. Repeatabilities (relative standard deviation, n = 6) between 2.2 and 5.5\\% and correlation coefficients {\\textgreater}0.9973 were highly satisfactory for the analysis of these additives in the mineral oil. Primuline reagent was used to improve the detection limit of the lipophilic additives by a factor of 2, followed by fluorescence measurement at UV 366/{\\textgreater}400 nm. For rapid identification by ATR-IR and FTIR, the respective additive zones on the plate were online extracted by an interface called ChromeXtract, concentrated, and directly applied for measurements in the wave number range of 4000–400 cm−1. Identification was confirmed by online ESI-MS within a minute using ChromeXtract and by DART-MS within seconds.},\n\tnumber = {5},\n\tjournal = {Journal of AOAC International},\n\tauthor = {Dytkiewitz, Elisabeth and Morlock, Gertrud E.},\n\tyear = {2008},\n\tkeywords = {Agilent Quad},\n\tpages = {1237--1244},\n}\n\n\n\n
\n
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\n A simple strategy for identification and quantification of lubricant additives in mineral oil was demonstrated by high-performance thin-layer chromatography with UV absorption and fluorescence detection using various coupling options, e.g., with attenuated total reflectance infrared (ATR-IR) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, electrospray ionization mass spectrometry (ESI-MS), and direct analysis in real-time mass spectrometry (DART-MS). For the additives zinc bis(O,O'-diisobutyl dithiophosphate), zinc bis(O,O'-didodecyl dithiophosphate), and Anglamol 99®, 2 chromatographic systems were developed, i.e., a reversed-phase (RP) system on RP2 plates using an acetonitrile-based mobile phase and a normal-phase system on silica gel 60 plates using a toluene-based gradient. Densitometry was performed by absorption measurement at 220 nm. Repeatabilities (relative standard deviation, n = 6) between 2.2 and 5.5% and correlation coefficients \\textgreater0.9973 were highly satisfactory for the analysis of these additives in the mineral oil. Primuline reagent was used to improve the detection limit of the lipophilic additives by a factor of 2, followed by fluorescence measurement at UV 366/\\textgreater400 nm. For rapid identification by ATR-IR and FTIR, the respective additive zones on the plate were online extracted by an interface called ChromeXtract, concentrated, and directly applied for measurements in the wave number range of 4000–400 cm−1. Identification was confirmed by online ESI-MS within a minute using ChromeXtract and by DART-MS within seconds.\n
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\n \n\n \n \n \n \n \n Automated determination of precursor ion, product ion, and neutral loss compositions and deconvolution of composite mass spectra using ion correlation based on exact masses and relative isotopic abundances.\n \n \n \n\n\n \n Grange, A. H.; and Sovocool, G. W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 22(15): 2375–2390. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_automated_2008,\n\ttitle = {Automated determination of precursor ion, product ion, and neutral loss compositions and deconvolution of composite mass spectra using ion correlation based on exact masses and relative isotopic abundances},\n\tvolume = {22},\n\tissn = {1097-0231},\n\tabstract = {After an accidental, deliberate, or weather-related dispersion of chemicals (dispersive event), rapid determination of elemental compositions of ions in mass spectra is essential for tentatively identifying compounds. A direct analysis in real time (DART)® ion source interfaced to a JEOL AccuTOF® mass spectrometer provided exact masses accurate to within 2 mDa for most ions in full scan mass spectra and relative isotopic abundances (RIAs) accurate to within 15-20\\% for abundant isotopic ions. To speed determination of the correct composition for precursor ions and most product ions and neutral losses, a three-part software suite was developed. Starting with text files of m/z ratios and their ion abundances from mass spectra acquired at low, moderate, and high collision energies, the ion extraction program (IEP) compiled lists for the most abundant monoisotopic ions of their exact masses and the RIAs of the +1 and +2 isotopic peaks when abundance thresholds were met; precursor ions; and higher-mass, precursor-related species. The ion correlation program (ICP) determined if a precursor ion composition could yield a product ion and corresponding neutral loss compositions for each product ion in turn. The input and output program (IOP) provided the ICP with each precursor ion:product ion pair for multiple sets of error limits and prepared correlation lists for single or multiple precursor ions. The software determined the correct precursor ion compositions for 21 individual standards and for three- and seven-component mixtures. Partial deconvolution of composite mass spectra was achieved based on exact masses and RIAs, rather than on chromatography. Published in 2008 by John Wiley \\& Sons, Ltd.},\n\tnumber = {15},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H. and Sovocool, G. Wayne},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {2375--2390},\n}\n\n\n\n
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\n\n\n
\n After an accidental, deliberate, or weather-related dispersion of chemicals (dispersive event), rapid determination of elemental compositions of ions in mass spectra is essential for tentatively identifying compounds. A direct analysis in real time (DART)® ion source interfaced to a JEOL AccuTOF® mass spectrometer provided exact masses accurate to within 2 mDa for most ions in full scan mass spectra and relative isotopic abundances (RIAs) accurate to within 15-20% for abundant isotopic ions. To speed determination of the correct composition for precursor ions and most product ions and neutral losses, a three-part software suite was developed. Starting with text files of m/z ratios and their ion abundances from mass spectra acquired at low, moderate, and high collision energies, the ion extraction program (IEP) compiled lists for the most abundant monoisotopic ions of their exact masses and the RIAs of the +1 and +2 isotopic peaks when abundance thresholds were met; precursor ions; and higher-mass, precursor-related species. The ion correlation program (ICP) determined if a precursor ion composition could yield a product ion and corresponding neutral loss compositions for each product ion in turn. The input and output program (IOP) provided the ICP with each precursor ion:product ion pair for multiple sets of error limits and prepared correlation lists for single or multiple precursor ions. The software determined the correct precursor ion compositions for 21 individual standards and for three- and seven-component mixtures. Partial deconvolution of composite mass spectra was achieved based on exact masses and RIAs, rather than on chromatography. Published in 2008 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Analysis of hairy root culture of Rauvolfia serpentina using direct analysis in real time mass spectrometric technique.\n \n \n \n\n\n \n Madhusudanan, K. P.; Banerjee, S.; Khanuja, S. P. S.; and Chattopadhyay, S. K.\n\n\n \n\n\n\n Biomedical Chromatography, 22(6): 596–600. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{madhusudanan_analysis_2008,\n\ttitle = {Analysis of hairy root culture of {Rauvolfia} serpentina using direct analysis in real time mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the hairy root culture of Rauvolfia serpentina. The intact hairy roots were analyzed by holding them in the gap between the DART source and the mass spectrometer for measurements. Two nitrogen-containing compounds, vomilenine and reserpine, were characterized from the analysis of the hairy roots almost instantaneously. The confirmation of the structures of the identified compounds was made through their accurate molecular formula determinations. This is the first report of the application of DART technique for the characterization of compounds that are expressed in the hairy root cultures of Rauvolfia serpentina. Moreover, this also constitutes the first report of expression of reserpine in the hairy root culture of Rauvolfia serpentina.},\n\tnumber = {6},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Madhusudanan, K. P. and Banerjee, Suchitra and Khanuja, Suman P. S. and Chattopadhyay, Sunil K.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {596--600},\n}\n\n\n\n
\n
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\n The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the hairy root culture of Rauvolfia serpentina. The intact hairy roots were analyzed by holding them in the gap between the DART source and the mass spectrometer for measurements. Two nitrogen-containing compounds, vomilenine and reserpine, were characterized from the analysis of the hairy roots almost instantaneously. The confirmation of the structures of the identified compounds was made through their accurate molecular formula determinations. This is the first report of the application of DART technique for the characterization of compounds that are expressed in the hairy root cultures of Rauvolfia serpentina. Moreover, this also constitutes the first report of expression of reserpine in the hairy root culture of Rauvolfia serpentina.\n
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\n \n\n \n \n \n \n \n Analysis of cell cultures of Taxus wallichiana using direct analysis in real-time mass spectrometric technique.\n \n \n \n\n\n \n Banerjee, S.; Madhusudanan, K. P.; Khanuja, S. P. S.; and Chattopadhyay, S. K.\n\n\n \n\n\n\n Biomedical Chromatography, 22(3): 250–253. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{banerjee_analysis_2008,\n\ttitle = {Analysis of cell cultures of {Taxus} wallichiana using direct analysis in real-time mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the calli of Taxus wallichiana. The intact callus samples were directly analyzed by holding them in the gap between the DART source and mass spectrometer for measurements. Five C-14 oxygenated taxoids were characterized from the analysis of the calli of the Taxus wallichiana almost instantaneously. The confirmation of the structures of the identified taxoids was made through their accurate molecular formula determinations.},\n\tnumber = {3},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Banerjee, Suchitra and Madhusudanan, K. P. and Khanuja, Suman P. S. and Chattopadhyay, Sunil K.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {250--253},\n}\n\n\n\n
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\n The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the calli of Taxus wallichiana. The intact callus samples were directly analyzed by holding them in the gap between the DART source and mass spectrometer for measurements. Five C-14 oxygenated taxoids were characterized from the analysis of the calli of the Taxus wallichiana almost instantaneously. The confirmation of the structures of the identified taxoids was made through their accurate molecular formula determinations.\n
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\n \n\n \n \n \n \n \n \n Analysis of Deoxynivalenol in Beer.\n \n \n \n \n\n\n \n Hajslova, J.; Vaclavik, L.; Cajka, T.; Poustka, J.; and Schurek, J.\n\n\n \n\n\n\n 2008.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@misc{hajslova_analysis_2008,\n\ttitle = {Analysis of {Deoxynivalenol} in {Beer}},\n\turl = {http://chromatographyonline.findanalytichem.com/lcgc/Articles/Analysis-of-Deoxynivalenol-in-Beer/ArticleStandard/Article/detail/547873},\n\tjournal = {LCGC: Chromatography Online},\n\tauthor = {Hajslova, Jana and Vaclavik, Lukas and Cajka, Tomas and Poustka, Jan and Schurek, Jakub},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n An Integrated Wipe Sample Transport/Autosampler to Maximize Throughput for a Direct Analysis in Real Time (DART)/Orthogonal Acceleration, Time-of-Flight Mass Spectrometer (oa-TOFMS).\n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Environmental Forensics, 9(2): 137 – 143. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_integrated_2008,\n\ttitle = {An {Integrated} {Wipe} {Sample} {Transport}/{Autosampler} to {Maximize} {Throughput} for a {Direct} {Analysis} in {Real} {Time} ({DART})/{Orthogonal} {Acceleration}, {Time}-of-{Flight} {Mass} {Spectrometer} (oa-{TOFMS})},\n\tvolume = {9},\n\tissn = {1527-5922},\n\tabstract = {A wipe sample transport was designed and built to meet two objectives: to simplify collection, storage, and transport of cotton swab wipe samples and to provide a sample train of 72 wipe samples nearly ready for analysis when the swabs reach the laboratory. The cotton swabs are mounted on an Al rod that is the sample support for an autosampler used to perform direct analysis in real time (DART)/orthogonal acceleration, time-of-flight mass spectrometry (oa-TOFMS) analyses. The goal is for one analyst to analyze 1000 wipe samples mounted on 14 Al rods in one 8-h shift.},\n\tnumber = {2},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, Andrew H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {137 -- 143},\n}\n\n\n\n
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\n A wipe sample transport was designed and built to meet two objectives: to simplify collection, storage, and transport of cotton swab wipe samples and to provide a sample train of 72 wipe samples nearly ready for analysis when the swabs reach the laboratory. The cotton swabs are mounted on an Al rod that is the sample support for an autosampler used to perform direct analysis in real time (DART)/orthogonal acceleration, time-of-flight mass spectrometry (oa-TOFMS) analyses. The goal is for one analyst to analyze 1000 wipe samples mounted on 14 Al rods in one 8-h shift.\n
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\n \n\n \n \n \n \n \n GC–TOF-MS and DART–TOF-MS: Challenges in the Analysis of Soft Drinks.\n \n \n \n\n\n \n Cajka, T.; Vaclavik, L.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n LC/GC Europe, 21(5): 250–256. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cajka_gctof-ms_2008,\n\ttitle = {{GC}–{TOF}-{MS} and {DART}–{TOF}-{MS}: {Challenges} in the {Analysis} of {Soft} {Drinks}.},\n\tvolume = {21},\n\tabstract = {The potential of the time-of-flight mass spectrometry (TOF-MS) to innovate the analysis of soft drinks is described using gas chromatography (GC) hyphenated to TOF-MS and a new type of ion source, direct analysis in real time (DART), coupled to high-resolution TOF-MS. Head-space solid-phase microextraction (SPME) was used to isolate/extract volatile compounds followed by GC–TOF-MS to identify tainted compound in contaminated soft drinks. Direct analysis in real time–time-of-flight mass spectrometry (DART–TOF-MS) was also used to obtain negative and positive ion profiles of different soft drinks to determine the presence of various compounds, including antimicrobial preservatives, artificial sweeteners, acidulants and saccharides, without any sample preparation and chromatographic separation.},\n\tnumber = {5},\n\tjournal = {LC/GC Europe},\n\tauthor = {Cajka, T. and Vaclavik, L. and Riddellova, K. and Hajslova, J.},\n\tyear = {2008},\n\tkeywords = {AccuTOF; GC x GC; Leco Pegasus},\n\tpages = {250--256},\n}\n\n\n\n
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\n The potential of the time-of-flight mass spectrometry (TOF-MS) to innovate the analysis of soft drinks is described using gas chromatography (GC) hyphenated to TOF-MS and a new type of ion source, direct analysis in real time (DART), coupled to high-resolution TOF-MS. Head-space solid-phase microextraction (SPME) was used to isolate/extract volatile compounds followed by GC–TOF-MS to identify tainted compound in contaminated soft drinks. Direct analysis in real time–time-of-flight mass spectrometry (DART–TOF-MS) was also used to obtain negative and positive ion profiles of different soft drinks to determine the presence of various compounds, including antimicrobial preservatives, artificial sweeteners, acidulants and saccharides, without any sample preparation and chromatographic separation.\n
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\n \n\n \n \n \n \n \n \n Detection of Chemical Warfare Agents on Surfaces Relevant to Homeland Security by Direct Analysis in Real-Time Spectrometry.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Connell, T.; and Nilles, J.\n\n\n \n\n\n\n American Laboratory, 40: 16–20. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{laramee_detection_2008,\n\ttitle = {Detection of {Chemical} {Warfare} {Agents} on {Surfaces} {Relevant} to {Homeland} {Security} by {Direct} {Analysis} in {Real}-{Time} {Spectrometry}.},\n\tvolume = {40},\n\turl = {http://www.americanlaboratory.com/913-Technical-Articles/757-Detection-of-Chemical-Warfare-Agents-on-Surfaces-Relevant-to-Homeland-Security-by-Direct-Analysis-in-Real-Time-Spectrometry/},\n\tabstract = {Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents, or that require solvent extraction, DART leaves the sample surface undisturbed.\n\nAnalysis of low-volatility, condensed-phase chemicals on surfaces has been an extremely difficult and long-standing objective in environmental monitoring. When target analytes possess picotorr vapor pressures, the problem of monitoring becomes formidable. As such, any noncontact sampling at atmospheric pressure that does not require solvents or wipes would be a technological breakthrough. In addition, the absence of sample preparation would allow extremely rapid analysis in time-critical situations. Today, such a technology is now available. It is known as Direct Analysis in Real Time1 or DART™ (JEOL USA, Inc., Peabody, MA).\n\nThe U.S. Army has been testing and developing DART since 2002 for the detection of chemical warfare agents on surfaces. Fast, safe, and accurate detection of chemical agents is critical for protection, security, and decision-making. Sample preparation is seldom a requirement with DART, since the contaminated surface is simply analyzed directly using a plume of gaseous Rydberg atoms. Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents,2 or that require solvent extraction, DART leaves the sample surface undisturbed. This is a forensically worthy advantage. Recent findings of chemical warfare agent detection on militarily relevant surfaces in Homeland Security is a new approach to Warfighter safety and},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D and Connell, T.R. and Nilles, J.M.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {16--20},\n}\n\n\n\n
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\n Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents, or that require solvent extraction, DART leaves the sample surface undisturbed. Analysis of low-volatility, condensed-phase chemicals on surfaces has been an extremely difficult and long-standing objective in environmental monitoring. When target analytes possess picotorr vapor pressures, the problem of monitoring becomes formidable. As such, any noncontact sampling at atmospheric pressure that does not require solvents or wipes would be a technological breakthrough. In addition, the absence of sample preparation would allow extremely rapid analysis in time-critical situations. Today, such a technology is now available. It is known as Direct Analysis in Real Time1 or DART™ (JEOL USA, Inc., Peabody, MA). The U.S. Army has been testing and developing DART since 2002 for the detection of chemical warfare agents on surfaces. Fast, safe, and accurate detection of chemical agents is critical for protection, security, and decision-making. Sample preparation is seldom a requirement with DART, since the contaminated surface is simply analyzed directly using a plume of gaseous Rydberg atoms. Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents,2 or that require solvent extraction, DART leaves the sample surface undisturbed. This is a forensically worthy advantage. Recent findings of chemical warfare agent detection on militarily relevant surfaces in Homeland Security is a new approach to Warfighter safety and\n
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\n \n\n \n \n \n \n \n Flammable Solvent Detection Directly from Common Household Materials Yields Differential Results: An Application of Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n\n\n \n Coates, C.; Coticone, S.; Barreto, P.; Cobb, A.; Cody, R.; and Barreto, J.\n\n\n \n\n\n\n Journal of Forensic Identification, 58(6): 624 –631. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{coates_flammable_2008,\n\ttitle = {Flammable {Solvent} {Detection} {Directly} from {Common} {Household} {Materials} {Yields} {Differential} {Results}: {An} {Application} of {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}.},\n\tvolume = {58},\n\tabstract = {In this study, we report the analysis of volatile flammable solvents present on common household materials by employing a mass spectrometric technique that incorporates a novel ion source: direct analysis in real time (DART). We used the new ionization method to directly volatilize and ionize a solvent sample, which was then sent to a high-resolution mass spectrometer. We analyzed two common flammable solvents, gasoline and paint thinner, directly from cotton, drywall, and nylon materials. DART sampling occurs directly from the chemical matrix of the common household materials, with no sample preparation needed. Cotton swabs containing solvents, gasoline, and paint thinner produced characteristic signature peaks. In addition, different substrates (cotton, nylon, and drywall) containing gasoline and paint thinner were tested to determine the possibility of detecting aromatic and aliphatic solvents from a complex chemical matrix using DART technology. Specifically, we discovered that nylon was a poor substrate for DART detection of gasoline, with the entire signal disappearing in only two hours. Surprisingly, DART easily detected paint thinner on nylon even after 16 hours. Notably, DART was effective in all other cases, detecting both paint thinner and gasoline over a 0- to 16-hour period on cotton and drywall substrates. We conclude that DART sample detection directly from household materials is not simply a matter of vapor pressure; instead, direct DART detection probably dependent on a complex interaction involving adsorption effects or matrix effects on the ionization mechanism of the flammable solvents. We demonstrate and report a potentially simple, powerful, and useful alternative to traditional mass spectrometric analysis.},\n\tnumber = {6},\n\tjournal = {Journal of Forensic Identification},\n\tauthor = {Coates, C.M. and Coticone, S. and Barreto, P.D. and Cobb, A.E. and Cody, R.B. and Barreto, J.C.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {624 --631},\n}\n\n\n\n
\n
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\n In this study, we report the analysis of volatile flammable solvents present on common household materials by employing a mass spectrometric technique that incorporates a novel ion source: direct analysis in real time (DART). We used the new ionization method to directly volatilize and ionize a solvent sample, which was then sent to a high-resolution mass spectrometer. We analyzed two common flammable solvents, gasoline and paint thinner, directly from cotton, drywall, and nylon materials. DART sampling occurs directly from the chemical matrix of the common household materials, with no sample preparation needed. Cotton swabs containing solvents, gasoline, and paint thinner produced characteristic signature peaks. In addition, different substrates (cotton, nylon, and drywall) containing gasoline and paint thinner were tested to determine the possibility of detecting aromatic and aliphatic solvents from a complex chemical matrix using DART technology. Specifically, we discovered that nylon was a poor substrate for DART detection of gasoline, with the entire signal disappearing in only two hours. Surprisingly, DART easily detected paint thinner on nylon even after 16 hours. Notably, DART was effective in all other cases, detecting both paint thinner and gasoline over a 0- to 16-hour period on cotton and drywall substrates. We conclude that DART sample detection directly from household materials is not simply a matter of vapor pressure; instead, direct DART detection probably dependent on a complex interaction involving adsorption effects or matrix effects on the ionization mechanism of the flammable solvents. We demonstrate and report a potentially simple, powerful, and useful alternative to traditional mass spectrometric analysis.\n
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\n \n\n \n \n \n \n \n Recent developments in ambient ionization techniques for analytical mass spectrometry.\n \n \n \n\n\n \n Harris, G. A.; Nyadong, L.; and Fernandez, F. M.\n\n\n \n\n\n\n Analyst, 133: 1297–1301. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{harris_recent_2008,\n\ttitle = {Recent developments in ambient ionization techniques for analytical mass spectrometry},\n\tvolume = {133},\n\tdoi = {DOI: 10.1039/b806810k},\n\tabstract = {Ambient ionization techniques enable the interrogation of a variety of samples in their native state by mass spectrometry, and are rapidly advancing all fields where screening for the presence of various analytes in a broadband and/or high-throughput fashion is desirable. This Highlight article provides an introduction to the field, and showcases the different ionization approaches reported since 2004, with an emphasis on themost recent developments.},\n\tjournal = {Analyst},\n\tauthor = {Harris, Glenn A. and Nyadong, Leonard and Fernandez, Facundo M.},\n\tyear = {2008},\n\tkeywords = {review; AccuTOF},\n\tpages = {1297--1301},\n}\n\n\n\n
\n
\n\n\n
\n Ambient ionization techniques enable the interrogation of a variety of samples in their native state by mass spectrometry, and are rapidly advancing all fields where screening for the presence of various analytes in a broadband and/or high-throughput fashion is desirable. This Highlight article provides an introduction to the field, and showcases the different ionization approaches reported since 2004, with an emphasis on themost recent developments.\n
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\n \n\n \n \n \n \n \n Pharmacokinetic analysis of anti-allergy and anti-inflammation bioactives in a nettle (Urtica dioica) extract.\n \n \n \n\n\n \n Ayers, S.; Roschek, B. J.; Williams, J.; and Alberte, R.\n\n\n \n\n\n\n Online Journal of Pharmacology and PharmacoKinetics, 5: 6–21. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{ayers_pharmacokinetic_2008,\n\ttitle = {Pharmacokinetic analysis of anti-allergy and anti-inflammation bioactives in a nettle ({Urtica} dioica) extract.},\n\tvolume = {5},\n\tabstract = {Pharmacokinetic analyses were conducted using DART TOF-MS on the uptake of bioactive components present in a nettle (Urtica dioica) extract delivered orally as a lozenge. Previously adenine, synephrine, osthole, and nicotinamide were shown to be key bioactives contributing to the anti-inflammatory and anti-allergy properties of the nettle extract (Roschek et al, 2009). Average serum concentrations of adenine reached 35.2 nmol L-1, nicotinamide reached 8.7 nmol L-1, osthole reached 11.0 nmol L-1, and synephrine reached 107.4 nmol L-1. These serum levels are equivalent to 0.3\\%, 0.2\\%, 0.2\\%, and 1.6\\% oral bioavailability for adenine, synephrine, osthole and nicotinamide respectively. Urine concentrations for adenine, nicotinamide, synephrine, and osthole reached 4.9 nmol L-1, 2.5 nmol L-1, 6.6 nmol L-1, and 0.2 nmol L-1, respectively. The major pharmacokinetic parameters (Cmax, Tmax, T1/2) were determined and compared for serum and urine. For all three of the compounds, Cmax values decreased 2- to 16-fold in urine compared to serum, Tmax values increased 2- to 12-fold, and T1/2 values increased 2- to 10-fold. Molecular modeling revealed that these compounds were not likely to cross the blood-brain barrier, particularly important for the anti-histamine bioactives to ensure a non-drowsy activity. These results show that antiinflammatory and anti-allergenic compounds in nettle are readily absorbed into the body and excreted in the urine when a nettle extract is delivered orally as a lozenge. In addition, DART TOF-MS is useful in quantifying multiple components in biological matrices with little or no sample preparation.},\n\tjournal = {Online Journal of Pharmacology and PharmacoKinetics},\n\tauthor = {Ayers, S. and Roschek, B. Jr and Williams, J.M. and Alberte, R.S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {6--21},\n}\n\n\n\n
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\n\n\n
\n Pharmacokinetic analyses were conducted using DART TOF-MS on the uptake of bioactive components present in a nettle (Urtica dioica) extract delivered orally as a lozenge. Previously adenine, synephrine, osthole, and nicotinamide were shown to be key bioactives contributing to the anti-inflammatory and anti-allergy properties of the nettle extract (Roschek et al, 2009). Average serum concentrations of adenine reached 35.2 nmol L-1, nicotinamide reached 8.7 nmol L-1, osthole reached 11.0 nmol L-1, and synephrine reached 107.4 nmol L-1. These serum levels are equivalent to 0.3%, 0.2%, 0.2%, and 1.6% oral bioavailability for adenine, synephrine, osthole and nicotinamide respectively. Urine concentrations for adenine, nicotinamide, synephrine, and osthole reached 4.9 nmol L-1, 2.5 nmol L-1, 6.6 nmol L-1, and 0.2 nmol L-1, respectively. The major pharmacokinetic parameters (Cmax, Tmax, T1/2) were determined and compared for serum and urine. For all three of the compounds, Cmax values decreased 2- to 16-fold in urine compared to serum, Tmax values increased 2- to 12-fold, and T1/2 values increased 2- to 10-fold. Molecular modeling revealed that these compounds were not likely to cross the blood-brain barrier, particularly important for the anti-histamine bioactives to ensure a non-drowsy activity. These results show that antiinflammatory and anti-allergenic compounds in nettle are readily absorbed into the body and excreted in the urine when a nettle extract is delivered orally as a lozenge. In addition, DART TOF-MS is useful in quantifying multiple components in biological matrices with little or no sample preparation.\n
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\n \n\n \n \n \n \n \n An Autosampler and Field Sample Carrier for Maximizing Throughput Using an Open-Air Source for MS.\n \n \n \n\n\n \n Grange, A.\n\n\n \n\n\n\n American Laboratory, 40(16): 11–13. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_autosampler_2008,\n\ttitle = {An {Autosampler} and {Field} {Sample} {Carrier} for {Maximizing} {Throughput} {Using} an {Open}-{Air} {Source} for {MS}},\n\tvolume = {40},\n\tnumber = {16},\n\tjournal = {American Laboratory},\n\tauthor = {Grange, A.H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {11--13},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n \n Characterization of “Yaa Chud” Medicine on the Thailand–Myanmar Border: Selecting for Drug-resistant Malaria and Threatening Public Health.\n \n \n \n \n\n\n \n Newton, P. N.; Hampton, C. Y.; Alter-Hall, K.; Teerwarakulpana, T.; Prakongpan, S.; Ruangveerayuth, R.; White, N. J.; Day, N. P. J.; Tudino, M. B.; Mancuso, N.; and Fernández, F. M.\n\n\n \n\n\n\n The American Journal of Tropical Medicine and Hygiene, 79(5): 662 –669. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{newton_characterization_2008,\n\ttitle = {Characterization of “{Yaa} {Chud}” {Medicine} on the {Thailand}–{Myanmar} {Border}: {Selecting} for {Drug}-resistant {Malaria} and {Threatening} {Public} {Health}},\n\tvolume = {79},\n\turl = {http://www.ajtmh.org/content/79/5/662.abstract},\n\tabstract = {Multidrug-resistant Plasmodium falciparum malaria is a severe public health problem on the Thailand–Myanmar border. Many villagers buy packets of 4–5 mixed medicines (“yaa chud”) from shops without medical assessment as their first-line malaria treatment. In 2000–2001 a local researcher purchased 50 yaa chud from 44 shops around Mae Sot, Thailand and Myawaddy, Myanmar (Burma), for his wife who was said to be pregnant with fever and drowsiness. The tablets/capsules were provisionally identified by appearance and active ingredients determined in a subset by using mass and atomic spectrometry. The most frequently detected active ingredients were acetaminophen (22\\%), chlorpheniramine (13.4\\%), chloroquine (12.6\\%), tetracycline/doxycycline (11.4\\%), and quinine (5.1\\%). Only seven bags contained potentially curative medicine for malaria. A total of 82\\% of the bags contained medicines contraindicated in pregnancy. Inappropriate, ineffective antimalarial drugs on the Thailand–Myanmar border are likely to increase malaria morbidity, mortality and health costs and engender the emergence and spread of antimalarial drug resistance.},\n\tnumber = {5},\n\tjournal = {The American Journal of Tropical Medicine and Hygiene},\n\tauthor = {Newton, Paul N. and Hampton, Christina Y. and Alter-Hall, Krystyn and Teerwarakulpana, Thanongsak and Prakongpan, Sompol and Ruangveerayuth, Ronnatrai and White, Nicholas J. and Day, Nicholas P. J. and Tudino, Mabel B. and Mancuso, Natalia and Fernández, Facundo M.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {662 --669},\n}\n\n\n\n
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\n Multidrug-resistant Plasmodium falciparum malaria is a severe public health problem on the Thailand–Myanmar border. Many villagers buy packets of 4–5 mixed medicines (“yaa chud”) from shops without medical assessment as their first-line malaria treatment. In 2000–2001 a local researcher purchased 50 yaa chud from 44 shops around Mae Sot, Thailand and Myawaddy, Myanmar (Burma), for his wife who was said to be pregnant with fever and drowsiness. The tablets/capsules were provisionally identified by appearance and active ingredients determined in a subset by using mass and atomic spectrometry. The most frequently detected active ingredients were acetaminophen (22%), chlorpheniramine (13.4%), chloroquine (12.6%), tetracycline/doxycycline (11.4%), and quinine (5.1%). Only seven bags contained potentially curative medicine for malaria. A total of 82% of the bags contained medicines contraindicated in pregnancy. Inappropriate, ineffective antimalarial drugs on the Thailand–Myanmar border are likely to increase malaria morbidity, mortality and health costs and engender the emergence and spread of antimalarial drug resistance.\n
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\n \n\n \n \n \n \n \n Control of Strobilurin Fungicides in Wheat Using Direct Analysis in Real Time Accurate Time-of-Flight and Desorption Electrospray Ionization Linear Ion Trap Mass Spectrometry.\n \n \n \n\n\n \n Schurek, J.; Vaclavik, L.; Hooijerink, H.; Lacina, O.; Poustka, J.; Sharman, M.; Caldow, M.; Nielen, M. W. F.; and Hajslova, J.\n\n\n \n\n\n\n Analytical Chemistry, 80(24): 9567–9575. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{schurek_control_2008,\n\ttitle = {Control of {Strobilurin} {Fungicides} in {Wheat} {Using} {Direct} {Analysis} in {Real} {Time} {Accurate} {Time}-of-{Flight} and {Desorption} {Electrospray} {Ionization} {Linear} {Ion} {Trap} {Mass} {Spectrometry}},\n\tvolume = {80},\n\tdoi = {10.1021/ac8018137},\n\tabstract = {Ambient mass spectrometry has been used for the analysis of strobilurin residues in wheat. The use of this novel, challenging technique, employing a direct analysis in a real time (DART) ion-source coupled with a time-of-flight mass spectrometer (TOF MS) and a desorption electrospray ionization (DESI) source coupled with a linear ion trap tandem MS (LIT MSn), permitted a direct screen of the occurrence of target fungicides in treated grains in less than 1 min. For quantification purpose by DART-TOF MS, an ethyl acetate extract had to be prepared. With the use of a prochloraz as an internal standard, the performance characteristics obtained by repeated analyses of extract, spiked at 50 μg kg−1 with six strobilurins (azoxystrobin, picoxystrobin, dimoxystrobin, kresoxim-methyl, pyraclostrobin, and trifloxystrobin), were in the following range: recoveries 78−92\\%, repeatability (RSD) 8−15\\%, linearity (R2) 0.9900−0.9978. The analysis of wheat with incurred strobilurin residues demonstrated good trueness of data generated by the DART-TOF MS method; the results were in a good agreement with those obtained by the conventional approach, i.e., by the QuEChERS sample handling procedure followed by identification/quantification employing high-performance liquid chromatography coupled with tandem mass spectrometry (LC−MS/MS). Tandem mass spectrometry using DESI-LIT MSn provided a sufficient number of product ions for confirmation of the identity of azoxystrobin and pyraclostrobin in incurred wheat samples.},\n\tnumber = {24},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Schurek, Jakub and Vaclavik, Lukas and Hooijerink, H. and Lacina, Ondrej and Poustka, Jan and Sharman, Matthew and Caldow, Marianne and Nielen, Michel W. F. and Hajslova, Jana},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {9567--9575},\n}\n\n\n\n
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\n Ambient mass spectrometry has been used for the analysis of strobilurin residues in wheat. The use of this novel, challenging technique, employing a direct analysis in a real time (DART) ion-source coupled with a time-of-flight mass spectrometer (TOF MS) and a desorption electrospray ionization (DESI) source coupled with a linear ion trap tandem MS (LIT MSn), permitted a direct screen of the occurrence of target fungicides in treated grains in less than 1 min. For quantification purpose by DART-TOF MS, an ethyl acetate extract had to be prepared. With the use of a prochloraz as an internal standard, the performance characteristics obtained by repeated analyses of extract, spiked at 50 μg kg−1 with six strobilurins (azoxystrobin, picoxystrobin, dimoxystrobin, kresoxim-methyl, pyraclostrobin, and trifloxystrobin), were in the following range: recoveries 78−92%, repeatability (RSD) 8−15%, linearity (R2) 0.9900−0.9978. The analysis of wheat with incurred strobilurin residues demonstrated good trueness of data generated by the DART-TOF MS method; the results were in a good agreement with those obtained by the conventional approach, i.e., by the QuEChERS sample handling procedure followed by identification/quantification employing high-performance liquid chromatography coupled with tandem mass spectrometry (LC−MS/MS). Tandem mass spectrometry using DESI-LIT MSn provided a sufficient number of product ions for confirmation of the identity of azoxystrobin and pyraclostrobin in incurred wheat samples.\n
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\n \n\n \n \n \n \n \n Recent developments in ambient ionization techniques for analytical mass spectrometry.\n \n \n \n\n\n \n Harris, G. A.; Nyadong, L.; and Fernandez, F. M.\n\n\n \n\n\n\n Analyst, 133: 1297–1301. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{harris_recent_2008,\n\ttitle = {Recent developments in ambient ionization techniques for analytical mass spectrometry},\n\tvolume = {133},\n\tdoi = {DOI: 10.1039/b806810k},\n\tabstract = {Ambient ionization techniques enable the interrogation of a variety of samples in their native state by mass spectrometry, and are rapidly advancing all fields where screening for the presence of various analytes in a broadband and/or high-throughput fashion is desirable. This Highlight article provides an introduction to the field, and showcases the different ionization approaches reported since 2004, with an emphasis on themost recent developments.},\n\tjournal = {Analyst},\n\tauthor = {Harris, Glenn A. and Nyadong, Leonard and Fernandez, Facundo M.},\n\tyear = {2008},\n\tkeywords = {review; AccuTOF},\n\tpages = {1297--1301},\n}\n\n\n\n
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\n\n\n
\n Ambient ionization techniques enable the interrogation of a variety of samples in their native state by mass spectrometry, and are rapidly advancing all fields where screening for the presence of various analytes in a broadband and/or high-throughput fashion is desirable. This Highlight article provides an introduction to the field, and showcases the different ionization approaches reported since 2004, with an emphasis on themost recent developments.\n
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\n \n\n \n \n \n \n \n DART–TOFMS: A Challenging Approach in Rapid Monitoring of Brominated Flame Retardants in Environmental Matrices.\n \n \n \n\n\n \n Hajslova, J.; Vaclavik, L.; Pulkrabova, J.; Poustka, J.; and Cajka, T.\n\n\n \n\n\n\n Organohalogen Compounds, 70: 922–925. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{hajslova_darttofms:_2008,\n\ttitle = {{DART}–{TOFMS}: {A} {Challenging} {Approach} in {Rapid} {Monitoring} of {Brominated} {Flame} {Retardants} in {Environmental} {Matrices}},\n\tvolume = {70},\n\tjournal = {Organohalogen Compounds},\n\tauthor = {Hajslova, J. and Vaclavik, L. and Pulkrabova, J. and Poustka, J. and Cajka, T.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {922--925},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Pharmacokinetics of Cyanidin and Anti-Influenza Phytonutrients in an Elder Berry Extract Determined by LC-MS and DART TOF-MS.\n \n \n \n\n\n \n Roschek Jr., B.; and Alberte, R.\n\n\n \n\n\n\n Online Journal of Pharmacology and Pharmacokinetics, 4: 1–17. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{roschek_jr._pharmacokinetics_2008,\n\ttitle = {Pharmacokinetics of {Cyanidin} and {Anti}-{Influenza} {Phytonutrients} in an {Elder} {Berry} {Extract} {Determined} by {LC}-{MS} and {DART} {TOF}-{MS}},\n\tvolume = {4},\n\tjournal = {Online Journal of Pharmacology and Pharmacokinetics},\n\tauthor = {Roschek Jr., B. and Alberte, R.S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {1--17},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Implementation of DART and DESI Ionization on a Fieldable Mass Spectrometer.\n \n \n \n\n\n \n Wells, J. M.; Roth, M. J.; Keil, A. D.; Grossenbacher, J. W.; Justes, D. R.; Patterson, G. E.; and Barket Jr., D. J.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 19(10): 1419–1424. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{wells_implementation_2008,\n\ttitle = {Implementation of {DART} and {DESI} {Ionization} on a {Fieldable} {Mass} {Spectrometer}},\n\tvolume = {19},\n\tdoi = {10.1016/j.jasms.2008.06.028},\n\tabstract = {A recently developed prototype mobile laboratory mass spectrometer, incorporating an atmospheric pressure ionization (API) interface, is described. This system takes advantage of the small size, lower voltage requirements, and tandem MS abilities of the cylindrical ion trap mass analyzer. The prototype API MS uses small, low-power pumps to fit into a 0.1-m3 self-contained package weighing less than 45 kg. This instrument has been adapted to allow rapid interfacing to electrospray ionization, desorption electrospray ionization, and direct analysis in real-time sources. Initial data indicate that these techniques provide rapid detection and identification of compounds for quality control, homeland security, and forensic applications. In addition, this instrument is self-contained and compact, making it ideally extensible to mobile laboratory and field analyses. Initial MS and MS/MS data for analyses of drugs, food, and explosives are presented herein.},\n\tnumber = {10},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Wells, J. Mitchell and Roth, Michael J. and Keil, Adam D. and Grossenbacher, John W. and Justes, Dina R. and Patterson, Garth E. and Barket Jr., Dennis J.},\n\tyear = {2008},\n\tkeywords = {Griffin},\n\tpages = {1419--1424},\n}\n\n\n\n
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\n A recently developed prototype mobile laboratory mass spectrometer, incorporating an atmospheric pressure ionization (API) interface, is described. This system takes advantage of the small size, lower voltage requirements, and tandem MS abilities of the cylindrical ion trap mass analyzer. The prototype API MS uses small, low-power pumps to fit into a 0.1-m3 self-contained package weighing less than 45 kg. This instrument has been adapted to allow rapid interfacing to electrospray ionization, desorption electrospray ionization, and direct analysis in real-time sources. Initial data indicate that these techniques provide rapid detection and identification of compounds for quality control, homeland security, and forensic applications. In addition, this instrument is self-contained and compact, making it ideally extensible to mobile laboratory and field analyses. Initial MS and MS/MS data for analyses of drugs, food, and explosives are presented herein.\n
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\n \n\n \n \n \n \n \n HRMS Directly From TLC Slides. A Powerful Tool for Rapid Analysis of Organic Mixtures.\n \n \n \n\n\n \n Smith, N. J.; Domin, M. A.; and Scott, L. T.\n\n\n \n\n\n\n Organic Letters, 10(16): 3493–3496. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{smith_hrms_2008,\n\ttitle = {{HRMS} {Directly} {From} {TLC} {Slides}. {A} {Powerful} {Tool} for {Rapid} {Analysis} of {Organic} {Mixtures}},\n\tvolume = {10},\n\tissn = {1523-7060},\n\tabstract = {Abstract: High-resolution mass spectra (HRMS) of individual spots on thin-layer chromatography (TLC) slides can now be obtained quickly and easily at atmospheric pressure, with zero sample preparation, using commercially available instrumentation. The method is complementary to GC mass spectrometry but is not limited to compounds of high volatility and high thermal stability. TLC HRMS can be used to monitor chemical reactions in real time and has the capacity thereby to accelerate significantly the pace of synthetic organic chemistry.},\n\tnumber = {16},\n\tjournal = {Organic Letters},\n\tauthor = {Smith, Natalie J. and Domin, Marek A. and Scott, Lawrence T.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {3493--3496},\n}\n\n\n\n
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\n Abstract: High-resolution mass spectra (HRMS) of individual spots on thin-layer chromatography (TLC) slides can now be obtained quickly and easily at atmospheric pressure, with zero sample preparation, using commercially available instrumentation. The method is complementary to GC mass spectrometry but is not limited to compounds of high volatility and high thermal stability. TLC HRMS can be used to monitor chemical reactions in real time and has the capacity thereby to accelerate significantly the pace of synthetic organic chemistry.\n
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\n \n\n \n \n \n \n \n \n Analysis of Deoxynivalenol in Beer.\n \n \n \n \n\n\n \n Hajslova, J.; Vaclavik, L.; Cajka, T.; Poustka, J.; and Schurek, J.\n\n\n \n\n\n\n 2008.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@misc{hajslova_analysis_2008,\n\ttitle = {Analysis of {Deoxynivalenol} in {Beer}},\n\turl = {http://chromatographyonline.findanalytichem.com/lcgc/Articles/Analysis-of-Deoxynivalenol-in-Beer/ArticleStandard/Article/detail/547873},\n\tjournal = {LCGC: Chromatography Online},\n\tauthor = {Hajslova, Jana and Vaclavik, Lukas and Cajka, Tomas and Poustka, Jan and Schurek, Jakub},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n \n Detection of Chemical Warfare Agents on Surfaces Relevant to Homeland Security by Direct Analysis in Real-Time Spectrometry.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Connell, T.; and Nilles, J.\n\n\n \n\n\n\n American Laboratory, 40: 16–20. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramee_detection_2008,\n\ttitle = {Detection of {Chemical} {Warfare} {Agents} on {Surfaces} {Relevant} to {Homeland} {Security} by {Direct} {Analysis} in {Real}-{Time} {Spectrometry}.},\n\tvolume = {40},\n\turl = {http://www.americanlaboratory.com/913-Technical-Articles/757-Detection-of-Chemical-Warfare-Agents-on-Surfaces-Relevant-to-Homeland-Security-by-Direct-Analysis-in-Real-Time-Spectrometry/},\n\tabstract = {Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents, or that require solvent extraction, DART leaves the sample surface undisturbed.\n\nAnalysis of low-volatility, condensed-phase chemicals on surfaces has been an extremely difficult and long-standing objective in environmental monitoring. When target analytes possess picotorr vapor pressures, the problem of monitoring becomes formidable. As such, any noncontact sampling at atmospheric pressure that does not require solvents or wipes would be a technological breakthrough. In addition, the absence of sample preparation would allow extremely rapid analysis in time-critical situations. Today, such a technology is now available. It is known as Direct Analysis in Real Time1 or DART™ (JEOL USA, Inc., Peabody, MA).\n\nThe U.S. Army has been testing and developing DART since 2002 for the detection of chemical warfare agents on surfaces. Fast, safe, and accurate detection of chemical agents is critical for protection, security, and decision-making. Sample preparation is seldom a requirement with DART, since the contaminated surface is simply analyzed directly using a plume of gaseous Rydberg atoms. Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents,2 or that require solvent extraction, DART leaves the sample surface undisturbed. This is a forensically worthy advantage. Recent findings of chemical warfare agent detection on militarily relevant surfaces in Homeland Security is a new approach to Warfighter safety and},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D and Connell, T.R. and Nilles, J.M.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {16--20},\n}\n\n\n\n
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\n Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents, or that require solvent extraction, DART leaves the sample surface undisturbed. Analysis of low-volatility, condensed-phase chemicals on surfaces has been an extremely difficult and long-standing objective in environmental monitoring. When target analytes possess picotorr vapor pressures, the problem of monitoring becomes formidable. As such, any noncontact sampling at atmospheric pressure that does not require solvents or wipes would be a technological breakthrough. In addition, the absence of sample preparation would allow extremely rapid analysis in time-critical situations. Today, such a technology is now available. It is known as Direct Analysis in Real Time1 or DART™ (JEOL USA, Inc., Peabody, MA). The U.S. Army has been testing and developing DART since 2002 for the detection of chemical warfare agents on surfaces. Fast, safe, and accurate detection of chemical agents is critical for protection, security, and decision-making. Sample preparation is seldom a requirement with DART, since the contaminated surface is simply analyzed directly using a plume of gaseous Rydberg atoms. Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents,2 or that require solvent extraction, DART leaves the sample surface undisturbed. This is a forensically worthy advantage. Recent findings of chemical warfare agent detection on militarily relevant surfaces in Homeland Security is a new approach to Warfighter safety and\n
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\n \n\n \n \n \n \n \n Automated determination of precursor ion, product ion, and neutral loss compositions and deconvolution of composite mass spectra using ion correlation based on exact masses and relative isotopic abundances.\n \n \n \n\n\n \n Grange, A. H.; and Sovocool, G. W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 22(15): 2375–2390. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_automated_2008,\n\ttitle = {Automated determination of precursor ion, product ion, and neutral loss compositions and deconvolution of composite mass spectra using ion correlation based on exact masses and relative isotopic abundances},\n\tvolume = {22},\n\tissn = {1097-0231},\n\tabstract = {After an accidental, deliberate, or weather-related dispersion of chemicals (dispersive event), rapid determination of elemental compositions of ions in mass spectra is essential for tentatively identifying compounds. A direct analysis in real time (DART)® ion source interfaced to a JEOL AccuTOF® mass spectrometer provided exact masses accurate to within 2 mDa for most ions in full scan mass spectra and relative isotopic abundances (RIAs) accurate to within 15-20\\% for abundant isotopic ions. To speed determination of the correct composition for precursor ions and most product ions and neutral losses, a three-part software suite was developed. Starting with text files of m/z ratios and their ion abundances from mass spectra acquired at low, moderate, and high collision energies, the ion extraction program (IEP) compiled lists for the most abundant monoisotopic ions of their exact masses and the RIAs of the +1 and +2 isotopic peaks when abundance thresholds were met; precursor ions; and higher-mass, precursor-related species. The ion correlation program (ICP) determined if a precursor ion composition could yield a product ion and corresponding neutral loss compositions for each product ion in turn. The input and output program (IOP) provided the ICP with each precursor ion:product ion pair for multiple sets of error limits and prepared correlation lists for single or multiple precursor ions. The software determined the correct precursor ion compositions for 21 individual standards and for three- and seven-component mixtures. Partial deconvolution of composite mass spectra was achieved based on exact masses and RIAs, rather than on chromatography. Published in 2008 by John Wiley \\& Sons, Ltd.},\n\tnumber = {15},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H. and Sovocool, G. Wayne},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {2375--2390},\n}\n\n\n\n
\n
\n\n\n
\n After an accidental, deliberate, or weather-related dispersion of chemicals (dispersive event), rapid determination of elemental compositions of ions in mass spectra is essential for tentatively identifying compounds. A direct analysis in real time (DART)® ion source interfaced to a JEOL AccuTOF® mass spectrometer provided exact masses accurate to within 2 mDa for most ions in full scan mass spectra and relative isotopic abundances (RIAs) accurate to within 15-20% for abundant isotopic ions. To speed determination of the correct composition for precursor ions and most product ions and neutral losses, a three-part software suite was developed. Starting with text files of m/z ratios and their ion abundances from mass spectra acquired at low, moderate, and high collision energies, the ion extraction program (IEP) compiled lists for the most abundant monoisotopic ions of their exact masses and the RIAs of the +1 and +2 isotopic peaks when abundance thresholds were met; precursor ions; and higher-mass, precursor-related species. The ion correlation program (ICP) determined if a precursor ion composition could yield a product ion and corresponding neutral loss compositions for each product ion in turn. The input and output program (IOP) provided the ICP with each precursor ion:product ion pair for multiple sets of error limits and prepared correlation lists for single or multiple precursor ions. The software determined the correct precursor ion compositions for 21 individual standards and for three- and seven-component mixtures. Partial deconvolution of composite mass spectra was achieved based on exact masses and RIAs, rather than on chromatography. Published in 2008 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Quantification of small molecules in plasma with direct analysis in real time tandem mass spectrometry, without sample preparation and liquid chromatographic separation.\n \n \n \n\n\n \n Zhao, Y.; Lam, M.; Wu, D.; and R., M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 22(20): 3217–3224. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{zhao_quantification_2008,\n\ttitle = {Quantification of small molecules in plasma with direct analysis in real time tandem mass spectrometry, without sample preparation and liquid chromatographic separation.},\n\tvolume = {22},\n\tabstract = {Recently, a new ion source, Direct Analysis in Real Time (DART), has been introduced which allows direct biological sample introduction into a mass spectrometry (MS) system. The elimination of conventionally required sample preparation and separation by high-performance liquid chromatography (HPLC) prior to MS analysis represents a remarkable opportunity to reduce assay turn-around time, environmental impact and capital/manpower investment. This new technology initially was used in various qualitative applications to directly detect chemicals on solid surfaces, in liquids and gases. In this study, a DART source operating under ambient pressure with ground potential was installed onto a Sciex 4000 tandem mass spectrometer and employed in the sample analysis of plasma based on direct introduction into the DART-MS/MS system. Reasonable precision and accuracy (\\%CV and \\%Error, both {\\textless}10\\%) were achieved of a significant number of compounds tested in biological fluids. In addition, the limit of detection for 80\\% of the tested compounds reached 5 ng/mL or lower which is sufficient for pharmaceutical drug discovery support. Finally, experimental conditions that significantly impacted assay performance were investigated with respect to optimization and limitation. Because of its simplicity, fast data acquisition (3-5 s) and low cost, DART has the potential to significantly impact quantitative pharmaceutical analysis in biological matrices.},\n\tnumber = {20},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Zhao, Y. and Lam, M. and Wu, D. and R., Mak},\n\tyear = {2008},\n\tkeywords = {Applied Biosystems Triple Quad},\n\tpages = {3217--3224},\n}\n\n\n\n
\n
\n\n\n
\n Recently, a new ion source, Direct Analysis in Real Time (DART), has been introduced which allows direct biological sample introduction into a mass spectrometry (MS) system. The elimination of conventionally required sample preparation and separation by high-performance liquid chromatography (HPLC) prior to MS analysis represents a remarkable opportunity to reduce assay turn-around time, environmental impact and capital/manpower investment. This new technology initially was used in various qualitative applications to directly detect chemicals on solid surfaces, in liquids and gases. In this study, a DART source operating under ambient pressure with ground potential was installed onto a Sciex 4000 tandem mass spectrometer and employed in the sample analysis of plasma based on direct introduction into the DART-MS/MS system. Reasonable precision and accuracy (%CV and %Error, both \\textless10%) were achieved of a significant number of compounds tested in biological fluids. In addition, the limit of detection for 80% of the tested compounds reached 5 ng/mL or lower which is sufficient for pharmaceutical drug discovery support. Finally, experimental conditions that significantly impacted assay performance were investigated with respect to optimization and limitation. Because of its simplicity, fast data acquisition (3-5 s) and low cost, DART has the potential to significantly impact quantitative pharmaceutical analysis in biological matrices.\n
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\n \n\n \n \n \n \n \n A Collaborative Epidemiological Investigation into the Criminal Fake Artesunate Trade in South East Asia.\n \n \n \n\n\n \n Newton, P. N.; Fernandez, F. M.; Plancon, A.; Mildenhall, D. C.; Green, M. D.; Ziyong, L.; Christophel, E. M.; Phanouvong, S.; Howells, S.; McIntosh, E.; Laurin, P.; Blum, N.; Hampton, C. Y.; Faure, K.; Nyadong, L.; Soong, C. W. R.; Santoso, B.; Zhiguang, W.; Newton, J.; and Palmer, K.\n\n\n \n\n\n\n PLoS Medicine, 5(2): e32. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{newton_collaborative_2008,\n\ttitle = {A {Collaborative} {Epidemiological} {Investigation} into the {Criminal} {Fake} {Artesunate} {Trade} in {South} {East} {Asia}},\n\tvolume = {5},\n\tabstract = {BackgroundSince 1998 the serious public health problem in South East Asia of counterfeit artesunate, containing no or subtherapeutic amounts of the active antimalarial ingredient, has led to deaths from untreated malaria, reduced confidence in this vital drug, large economic losses for the legitimate manufacturers, and concerns that artemisinin resistance might be engendered.Methods and FindingsWith evidence of a deteriorating situation, a group of police, criminal analysts, chemists, palynologists, and health workers collaborated to determine the source of these counterfeits under the auspices of the International Criminal Police Organization (INTERPOL) and the Western Pacific World Health Organization Regional Office. A total of 391 samples of genuine and counterfeit artesunate collected in Vietnam (75), Cambodia (48), Lao PDR (115), Myanmar (Burma) (137) and the Thai/Myanmar border (16), were available for analysis. Sixteen different fake hologram types were identified. High-performance liquid chromatography and/or mass spectrometry confirmed that all specimens thought to be counterfeit (195/391, 49.9\\%) on the basis of packaging contained no or small quantities of artesunate (up to 12 mg per tablet as opposed to ∼ 50 mg per genuine tablet). Chemical analysis demonstrated a wide diversity of wrong active ingredients, including banned pharmaceuticals, such as metamizole, and safrole, a carcinogen, and raw material for manufacture of methylenedioxymethamphetamine (‘ecstasy'). Evidence from chemical, mineralogical, biological, and packaging analysis suggested that at least some of the counterfeits were manufactured in southeast People's Republic of China. This evidence prompted the Chinese Government to act quickly against the criminal traders with arrests and seizures.ConclusionsAn international multi-disciplinary group obtained evidence that some of the counterfeit artesunate was manufactured in China, and this prompted a criminal investigation. International cross-disciplinary collaborations may be appropriate in the investigation of other serious counterfeit medicine public health problems elsewhere, but strengthening of international collaborations and forensic and drug regulatory authority capacity will be required.},\n\tnumber = {2},\n\tjournal = {PLoS Medicine},\n\tauthor = {Newton, Paul N. and Fernandez, Facundo M. and Plancon, Aline and Mildenhall, Dallas C. and Green, Michael D. and Ziyong, Li and Christophel, Eva Maria and Phanouvong, Souly and Howells, Stephen and McIntosh, Eric and Laurin, Paul and Blum, Nancy and Hampton, Christina Y. and Faure, Kevin and Nyadong, Leonard and Soong, C. W. Ray and Santoso, Budiono and Zhiguang, Wang and Newton, John and Palmer, Kevin},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {e32},\n}\n\n\n\n
\n
\n\n\n
\n BackgroundSince 1998 the serious public health problem in South East Asia of counterfeit artesunate, containing no or subtherapeutic amounts of the active antimalarial ingredient, has led to deaths from untreated malaria, reduced confidence in this vital drug, large economic losses for the legitimate manufacturers, and concerns that artemisinin resistance might be engendered.Methods and FindingsWith evidence of a deteriorating situation, a group of police, criminal analysts, chemists, palynologists, and health workers collaborated to determine the source of these counterfeits under the auspices of the International Criminal Police Organization (INTERPOL) and the Western Pacific World Health Organization Regional Office. A total of 391 samples of genuine and counterfeit artesunate collected in Vietnam (75), Cambodia (48), Lao PDR (115), Myanmar (Burma) (137) and the Thai/Myanmar border (16), were available for analysis. Sixteen different fake hologram types were identified. High-performance liquid chromatography and/or mass spectrometry confirmed that all specimens thought to be counterfeit (195/391, 49.9%) on the basis of packaging contained no or small quantities of artesunate (up to 12 mg per tablet as opposed to ∼ 50 mg per genuine tablet). Chemical analysis demonstrated a wide diversity of wrong active ingredients, including banned pharmaceuticals, such as metamizole, and safrole, a carcinogen, and raw material for manufacture of methylenedioxymethamphetamine (‘ecstasy'). Evidence from chemical, mineralogical, biological, and packaging analysis suggested that at least some of the counterfeits were manufactured in southeast People's Republic of China. This evidence prompted the Chinese Government to act quickly against the criminal traders with arrests and seizures.ConclusionsAn international multi-disciplinary group obtained evidence that some of the counterfeit artesunate was manufactured in China, and this prompted a criminal investigation. International cross-disciplinary collaborations may be appropriate in the investigation of other serious counterfeit medicine public health problems elsewhere, but strengthening of international collaborations and forensic and drug regulatory authority capacity will be required.\n
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\n \n\n \n \n \n \n \n Cuticular hydrocarbon analysis of an awake behaving fly using direct analysis in real-time time-of-flight mass spectrometry.\n \n \n \n\n\n \n Yew, J. Y.; Cody, R. B.; and Kravitz, E. A.\n\n\n \n\n\n\n Proceedings of the National Academy of Sciences, 105(20): 7135–7140. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{yew_cuticular_2008,\n\ttitle = {Cuticular hydrocarbon analysis of an awake behaving fly using direct analysis in real-time time-of-flight mass spectrometry},\n\tvolume = {105},\n\tdoi = {10.1073/pnas.0802692105},\n\tabstract = {In mammals and insects, pheromones strongly influence social behaviors such as aggression and mate recognition. In , pheromones in the form of cuticular hydrocarbons play prominent roles in courtship. GC/MS is the primary analytical tool currently used to study cuticular hydrocarbons. Although GC/MS is highly reproducible and sensitive, it requires that the fly be placed in a lethal solution of organic solvent, thereby impeding further behavioral studies. We present a technique for the analysis of hydrocarbons and other surface molecules from live animals by using direct analysis in real-time (DART) MS. Cuticular hydrocarbons were sampled from the surface of a restrained, awake behaving fly by using several brief, carefully controlled depressions of the abdomen with a small steel probe. DART mass spectral analysis of the probe detected ions with mass-to-charge ratio (/) of the protonated molecule corresponding to many of the previously identified unsaturated hydrocarbons. Six additional cuticular hydrocarbons also were identified. Consistent with previous GC/MS studies, male and female differences in chemical composition were evident. Spatial differences in the expression profile also were observed on males. Sampling from an individual female first as a virgin and then 45 and 90 min after successful copulation showed that mass signals likely to correspond to -vaccenyl acetate, tricosene, and pentacosene increased in relative intensity after courtship. This method provides near-instantaneous analysis of an individual animal's chemical profile in parallel with behavioral studies and could be extended to other models of pheromone-mediated behavior.},\n\tnumber = {20},\n\tjournal = {Proceedings of the National Academy of Sciences},\n\tauthor = {Yew, Joanne Y. and Cody, Robert B. and Kravitz, Edward A.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {7135--7140},\n}\n\n\n\n
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\n\n\n
\n In mammals and insects, pheromones strongly influence social behaviors such as aggression and mate recognition. In , pheromones in the form of cuticular hydrocarbons play prominent roles in courtship. GC/MS is the primary analytical tool currently used to study cuticular hydrocarbons. Although GC/MS is highly reproducible and sensitive, it requires that the fly be placed in a lethal solution of organic solvent, thereby impeding further behavioral studies. We present a technique for the analysis of hydrocarbons and other surface molecules from live animals by using direct analysis in real-time (DART) MS. Cuticular hydrocarbons were sampled from the surface of a restrained, awake behaving fly by using several brief, carefully controlled depressions of the abdomen with a small steel probe. DART mass spectral analysis of the probe detected ions with mass-to-charge ratio (/) of the protonated molecule corresponding to many of the previously identified unsaturated hydrocarbons. Six additional cuticular hydrocarbons also were identified. Consistent with previous GC/MS studies, male and female differences in chemical composition were evident. Spatial differences in the expression profile also were observed on males. Sampling from an individual female first as a virgin and then 45 and 90 min after successful copulation showed that mass signals likely to correspond to -vaccenyl acetate, tricosene, and pentacosene increased in relative intensity after courtship. This method provides near-instantaneous analysis of an individual animal's chemical profile in parallel with behavioral studies and could be extended to other models of pheromone-mediated behavior.\n
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\n \n\n \n \n \n \n \n \n Planar Chromatography - Back to the future?.\n \n \n \n \n\n\n \n Morlock, G.; and Schwack, W.\n\n\n \n\n\n\n LC/GC Europe, (21): 366–371. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"PlanarPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{morlock_planar_2008,\n\ttitle = {Planar {Chromatography} - {Back} to the future?},\n\turl = {http://chromatographyonline.findanalytichem.com/lcgc/article/articleDetail.jsp?id=531582&pageID=1&sk=&date=},\n\tabstract = {The importance of planar chromatography, particularly thin layer chromatography (TLC), is vastly underestimated. This article highlights\nthe unique attributes of high performance thin layer chromatography (HPTLC) compared with rival column techniques. Two advanced\napplications in planar chromatography are described to illustrate the potential of this technique: bioactivity-based detection and coupling\nwith mass spectrometry (MS).},\n\tnumber = {21},\n\tjournal = {LC/GC Europe},\n\tauthor = {Morlock, G. and Schwack, W.},\n\tyear = {2008},\n\tkeywords = {Thermo LTQ},\n\tpages = {366--371},\n}\n\n\n\n
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\n The importance of planar chromatography, particularly thin layer chromatography (TLC), is vastly underestimated. This article highlights the unique attributes of high performance thin layer chromatography (HPTLC) compared with rival column techniques. Two advanced applications in planar chromatography are described to illustrate the potential of this technique: bioactivity-based detection and coupling with mass spectrometry (MS).\n
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\n \n\n \n \n \n \n \n Analysis of hairy root culture of Rauvolfia serpentina using direct analysis in real time mass spectrometric technique.\n \n \n \n\n\n \n Madhusudanan, K. P.; Banerjee, S.; Khanuja, S. P. S.; and Chattopadhyay, S. K.\n\n\n \n\n\n\n Biomedical Chromatography, 22(6): 596–600. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{madhusudanan_analysis_2008,\n\ttitle = {Analysis of hairy root culture of {Rauvolfia} serpentina using direct analysis in real time mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the hairy root culture of Rauvolfia serpentina. The intact hairy roots were analyzed by holding them in the gap between the DART source and the mass spectrometer for measurements. Two nitrogen-containing compounds, vomilenine and reserpine, were characterized from the analysis of the hairy roots almost instantaneously. The confirmation of the structures of the identified compounds was made through their accurate molecular formula determinations. This is the first report of the application of DART technique for the characterization of compounds that are expressed in the hairy root cultures of Rauvolfia serpentina. Moreover, this also constitutes the first report of expression of reserpine in the hairy root culture of Rauvolfia serpentina.},\n\tnumber = {6},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Madhusudanan, K. P. and Banerjee, Suchitra and Khanuja, Suman P. S. and Chattopadhyay, Sunil K.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {596--600},\n}\n\n\n\n
\n
\n\n\n
\n The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the hairy root culture of Rauvolfia serpentina. The intact hairy roots were analyzed by holding them in the gap between the DART source and the mass spectrometer for measurements. Two nitrogen-containing compounds, vomilenine and reserpine, were characterized from the analysis of the hairy roots almost instantaneously. The confirmation of the structures of the identified compounds was made through their accurate molecular formula determinations. This is the first report of the application of DART technique for the characterization of compounds that are expressed in the hairy root cultures of Rauvolfia serpentina. Moreover, this also constitutes the first report of expression of reserpine in the hairy root culture of Rauvolfia serpentina.\n
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\n \n\n \n \n \n \n \n Direct analysis in real time–time-of-flight mass spectrometry: Analysis of pesticide residues and environmental contaminants.\n \n \n \n\n\n \n Vaclavik, L.; Schurek, J.; Cajka, T.; and Hajslova, J.\n\n\n \n\n\n\n Chemicke Listy, 102: s324–s327. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_direct_2008,\n\ttitle = {Direct analysis in real time–time-of-flight mass spectrometry: {Analysis} of pesticide residues and environmental contaminants.},\n\tvolume = {102},\n\tjournal = {Chemicke Listy},\n\tauthor = {Vaclavik, L. and Schurek, J. and Cajka, T. and Hajslova, J.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {s324--s327},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n An Autosampler and Field Sample Carrier for Maximizing Throughput Using an Open-Air Source for MS.\n \n \n \n\n\n \n Grange, A.\n\n\n \n\n\n\n American Laboratory, 40(16): 11–13. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_autosampler_2008,\n\ttitle = {An {Autosampler} and {Field} {Sample} {Carrier} for {Maximizing} {Throughput} {Using} an {Open}-{Air} {Source} for {MS}},\n\tvolume = {40},\n\tnumber = {16},\n\tjournal = {American Laboratory},\n\tauthor = {Grange, A.H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {11--13},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Solvent Effect on the Self-Assembled Structure of an Amphiphilic Perylene Diimide Derivative.\n \n \n \n\n\n \n Yang, X.; Xu, X.; and Ji, H.\n\n\n \n\n\n\n Journal of Physical Chemistry B, 112: 7196–7202. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{yang_solvent_2008,\n\ttitle = {Solvent {Effect} on the {Self}-{Assembled} {Structure} of an {Amphiphilic} {Perylene} {Diimide} {Derivative}},\n\tvolume = {112},\n\tdoi = {10.1021/jp801413k},\n\tabstract = {An amphiphilic electron-deficient (n-type) perylene diimide has been synthesized and characterized. The diimide\ncontains a hydrophobic long chain on one end and a hydrophilic ethoxy chain on the other. The self-assembly\nof this molecule in polar and nonpolar solvents has been demonstrated by concentration- and temperaturedependent\nabsorption and fluorescence spectroscopies. Analysis of the spectral change for the aggregates\nshows typical J-aggregates for structures precipitated from polar solvents and H-aggregates for structures\nprecipitated from nonpolar solvents. SEM and TEM micrographs and a suggested packing scheme, compatible\nwith the formation of nanostrips in nonpolar solvents and nanofibers in polar solvents, are presented.},\n\tjournal = {Journal of Physical Chemistry B},\n\tauthor = {Yang, Xin and Xu, Xiaohe and Ji, Hai-Feng},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {7196--7202},\n}\n\n\n\n
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\n An amphiphilic electron-deficient (n-type) perylene diimide has been synthesized and characterized. The diimide contains a hydrophobic long chain on one end and a hydrophilic ethoxy chain on the other. The self-assembly of this molecule in polar and nonpolar solvents has been demonstrated by concentration- and temperaturedependent absorption and fluorescence spectroscopies. Analysis of the spectral change for the aggregates shows typical J-aggregates for structures precipitated from polar solvents and H-aggregates for structures precipitated from nonpolar solvents. SEM and TEM micrographs and a suggested packing scheme, compatible with the formation of nanostrips in nonpolar solvents and nanofibers in polar solvents, are presented.\n
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\n \n\n \n \n \n \n \n Expression of tropane alkaloids in the hairy root culture of Atropa acuminata substantiated by DART mass spectrometric technique.\n \n \n \n\n\n \n Banerjee, S.; Madhusudanan, K. P.; Chattopadhyay, S. K.; Rahman, L. U.; and Khanuja, S. P. S.\n\n\n \n\n\n\n Biomedical Chromatography, 22(8): 830–834. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{banerjee_expression_2008,\n\ttitle = {Expression of tropane alkaloids in the hairy root culture of {Atropa} acuminata substantiated by {DART} mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {Agrobacterium rhizogenes-mediated hairy root cultures were established in Atropa acuminata. The chemical profiling of the hairy roots was carried out by a new mass spectrometric technique, direct analysis in real time (DART). The intact hairy roots were directly analyzed by holding them in the gap between the DART ion source and mass spectrometer. Two alkaloids, atropine and scopolamine, were characterized. The structural confirmation of the two alkaloids was made through their accurate molecular formula determinations. This is the first report of establishing hairy roots in A. acuminata as well as application of the DART technique for the chemical profiling of its hairy roots.},\n\tnumber = {8},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Banerjee, Suchitra and Madhusudanan, K. P. and Chattopadhyay, Sunil K. and Rahman, Laiq Ur and Khanuja, Suman P. S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {830--834},\n}\n\n\n\n
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\n Agrobacterium rhizogenes-mediated hairy root cultures were established in Atropa acuminata. The chemical profiling of the hairy roots was carried out by a new mass spectrometric technique, direct analysis in real time (DART). The intact hairy roots were directly analyzed by holding them in the gap between the DART ion source and mass spectrometer. Two alkaloids, atropine and scopolamine, were characterized. The structural confirmation of the two alkaloids was made through their accurate molecular formula determinations. This is the first report of establishing hairy roots in A. acuminata as well as application of the DART technique for the chemical profiling of its hairy roots.\n
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\n \n\n \n \n \n \n \n Analysis of cell cultures of Taxus wallichiana using direct analysis in real-time mass spectrometric technique.\n \n \n \n\n\n \n Banerjee, S.; Madhusudanan, K. P.; Khanuja, S. P. S.; and Chattopadhyay, S. K.\n\n\n \n\n\n\n Biomedical Chromatography, 22(3): 250–253. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{banerjee_analysis_2008,\n\ttitle = {Analysis of cell cultures of {Taxus} wallichiana using direct analysis in real-time mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the calli of Taxus wallichiana. The intact callus samples were directly analyzed by holding them in the gap between the DART source and mass spectrometer for measurements. Five C-14 oxygenated taxoids were characterized from the analysis of the calli of the Taxus wallichiana almost instantaneously. The confirmation of the structures of the identified taxoids was made through their accurate molecular formula determinations.},\n\tnumber = {3},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Banerjee, Suchitra and Madhusudanan, K. P. and Khanuja, Suman P. S. and Chattopadhyay, Sunil K.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {250--253},\n}\n\n\n\n
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\n The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the calli of Taxus wallichiana. The intact callus samples were directly analyzed by holding them in the gap between the DART source and mass spectrometer for measurements. Five C-14 oxygenated taxoids were characterized from the analysis of the calli of the Taxus wallichiana almost instantaneously. The confirmation of the structures of the identified taxoids was made through their accurate molecular formula determinations.\n
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\n \n\n \n \n \n \n \n GC–TOF-MS and DART–TOF-MS: Challenges in the Analysis of Soft Drinks.\n \n \n \n\n\n \n Cajka, T.; Vaclavik, L.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n LC/GC Europe, 21(5): 250–256. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cajka_gctof-ms_2008,\n\ttitle = {{GC}–{TOF}-{MS} and {DART}–{TOF}-{MS}: {Challenges} in the {Analysis} of {Soft} {Drinks}.},\n\tvolume = {21},\n\tabstract = {The potential of the time-of-flight mass spectrometry (TOF-MS) to innovate the analysis of soft drinks is described using gas chromatography (GC) hyphenated to TOF-MS and a new type of ion source, direct analysis in real time (DART), coupled to high-resolution TOF-MS. Head-space solid-phase microextraction (SPME) was used to isolate/extract volatile compounds followed by GC–TOF-MS to identify tainted compound in contaminated soft drinks. Direct analysis in real time–time-of-flight mass spectrometry (DART–TOF-MS) was also used to obtain negative and positive ion profiles of different soft drinks to determine the presence of various compounds, including antimicrobial preservatives, artificial sweeteners, acidulants and saccharides, without any sample preparation and chromatographic separation.},\n\tnumber = {5},\n\tjournal = {LC/GC Europe},\n\tauthor = {Cajka, T. and Vaclavik, L. and Riddellova, K. and Hajslova, J.},\n\tyear = {2008},\n\tkeywords = {AccuTOF; GC x GC; Leco Pegasus},\n\tpages = {250--256},\n}\n\n\n\n
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\n The potential of the time-of-flight mass spectrometry (TOF-MS) to innovate the analysis of soft drinks is described using gas chromatography (GC) hyphenated to TOF-MS and a new type of ion source, direct analysis in real time (DART), coupled to high-resolution TOF-MS. Head-space solid-phase microextraction (SPME) was used to isolate/extract volatile compounds followed by GC–TOF-MS to identify tainted compound in contaminated soft drinks. Direct analysis in real time–time-of-flight mass spectrometry (DART–TOF-MS) was also used to obtain negative and positive ion profiles of different soft drinks to determine the presence of various compounds, including antimicrobial preservatives, artificial sweeteners, acidulants and saccharides, without any sample preparation and chromatographic separation.\n
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\n \n\n \n \n \n \n \n Prevalence and Detection of Counterfeit Pharmaceuticals: A Mini Review.\n \n \n \n\n\n \n Fernandez, F. M.; Green, M. D.; and Newton, P. N.\n\n\n \n\n\n\n Ind. Eng. Chem. Res., 47(3): 585–590. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{fernandez_prevalence_2008,\n\ttitle = {Prevalence and {Detection} of {Counterfeit} {Pharmaceuticals}: {A} {Mini} {Review}},\n\tvolume = {47},\n\tissn = {0888-5885},\n\tabstract = {Counterfeit drugs are a widespread, important public health problem. This mini review reports on the current status of the issue of drug counterfeiting, with special emphasis on our findings on counterfeit anti-infectives, and the new detection tools being developed to identify and characterize fake drugs.},\n\tnumber = {3},\n\tjournal = {Ind. Eng. Chem. Res.},\n\tauthor = {Fernandez, F. M. and Green, M. D. and Newton, P. N.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {585--590},\n}\n\n\n\n
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\n Counterfeit drugs are a widespread, important public health problem. This mini review reports on the current status of the issue of drug counterfeiting, with special emphasis on our findings on counterfeit anti-infectives, and the new detection tools being developed to identify and characterize fake drugs.\n
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\n \n\n \n \n \n \n \n Analytical Strategy for Rapid Identification and Quantification of Lubricant Additives in Mineral Oil by High-Performance Thin-Layer Chromatography with UV Absorption and Fluorescence Detection Combined with Mass Spectrometry and Infrared Spectroscopy.\n \n \n \n\n\n \n Dytkiewitz, E.; and Morlock, G. E.\n\n\n \n\n\n\n Journal of AOAC International, 91(5): 1237–1244. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{dytkiewitz_analytical_2008,\n\ttitle = {Analytical {Strategy} for {Rapid} {Identification} and {Quantification} of {Lubricant} {Additives} in {Mineral} {Oil} by {High}-{Performance} {Thin}-{Layer} {Chromatography} with {UV} {Absorption} and {Fluorescence} {Detection} {Combined} with {Mass} {Spectrometry} and {Infrared} {Spectroscopy}},\n\tvolume = {91},\n\tabstract = {A simple strategy for identification and quantification of lubricant additives in mineral oil was demonstrated by high-performance thin-layer chromatography with UV absorption and fluorescence detection using various coupling options, e.g., with attenuated total reflectance infrared (ATR-IR) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, electrospray ionization mass spectrometry (ESI-MS), and direct analysis in real-time mass spectrometry (DART-MS). For the additives zinc bis(O,O'-diisobutyl dithiophosphate), zinc bis(O,O'-didodecyl dithiophosphate), and Anglamol 99®, 2 chromatographic systems were developed, i.e., a reversed-phase (RP) system on RP2 plates using an acetonitrile-based mobile phase and a normal-phase system on silica gel 60 plates using a toluene-based gradient. Densitometry was performed by absorption measurement at 220 nm. Repeatabilities (relative standard deviation, n = 6) between 2.2 and 5.5\\% and correlation coefficients {\\textgreater}0.9973 were highly satisfactory for the analysis of these additives in the mineral oil. Primuline reagent was used to improve the detection limit of the lipophilic additives by a factor of 2, followed by fluorescence measurement at UV 366/{\\textgreater}400 nm. For rapid identification by ATR-IR and FTIR, the respective additive zones on the plate were online extracted by an interface called ChromeXtract, concentrated, and directly applied for measurements in the wave number range of 4000–400 cm−1. Identification was confirmed by online ESI-MS within a minute using ChromeXtract and by DART-MS within seconds.},\n\tnumber = {5},\n\tjournal = {Journal of AOAC International},\n\tauthor = {Dytkiewitz, Elisabeth and Morlock, Gertrud E.},\n\tyear = {2008},\n\tkeywords = {Agilent Quad},\n\tpages = {1237--1244},\n}\n\n\n\n
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\n A simple strategy for identification and quantification of lubricant additives in mineral oil was demonstrated by high-performance thin-layer chromatography with UV absorption and fluorescence detection using various coupling options, e.g., with attenuated total reflectance infrared (ATR-IR) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, electrospray ionization mass spectrometry (ESI-MS), and direct analysis in real-time mass spectrometry (DART-MS). For the additives zinc bis(O,O'-diisobutyl dithiophosphate), zinc bis(O,O'-didodecyl dithiophosphate), and Anglamol 99®, 2 chromatographic systems were developed, i.e., a reversed-phase (RP) system on RP2 plates using an acetonitrile-based mobile phase and a normal-phase system on silica gel 60 plates using a toluene-based gradient. Densitometry was performed by absorption measurement at 220 nm. Repeatabilities (relative standard deviation, n = 6) between 2.2 and 5.5% and correlation coefficients \\textgreater0.9973 were highly satisfactory for the analysis of these additives in the mineral oil. Primuline reagent was used to improve the detection limit of the lipophilic additives by a factor of 2, followed by fluorescence measurement at UV 366/\\textgreater400 nm. For rapid identification by ATR-IR and FTIR, the respective additive zones on the plate were online extracted by an interface called ChromeXtract, concentrated, and directly applied for measurements in the wave number range of 4000–400 cm−1. Identification was confirmed by online ESI-MS within a minute using ChromeXtract and by DART-MS within seconds.\n
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\n \n\n \n \n \n \n \n Flammable Solvent Detection Directly from Common Household Materials Yields Differential Results: An Application of Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n\n\n \n Coates, C.; Coticone, S.; Barreto, P.; Cobb, A.; Cody, R.; and Barreto, J.\n\n\n \n\n\n\n Journal of Forensic Identification, 58(6): 624 –631. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{coates_flammable_2008,\n\ttitle = {Flammable {Solvent} {Detection} {Directly} from {Common} {Household} {Materials} {Yields} {Differential} {Results}: {An} {Application} of {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}.},\n\tvolume = {58},\n\tabstract = {In this study, we report the analysis of volatile flammable solvents present on common household materials by employing a mass spectrometric technique that incorporates a novel ion source: direct analysis in real time (DART). We used the new ionization method to directly volatilize and ionize a solvent sample, which was then sent to a high-resolution mass spectrometer. We analyzed two common flammable solvents, gasoline and paint thinner, directly from cotton, drywall, and nylon materials. DART sampling occurs directly from the chemical matrix of the common household materials, with no sample preparation needed. Cotton swabs containing solvents, gasoline, and paint thinner produced characteristic signature peaks. In addition, different substrates (cotton, nylon, and drywall) containing gasoline and paint thinner were tested to determine the possibility of detecting aromatic and aliphatic solvents from a complex chemical matrix using DART technology. Specifically, we discovered that nylon was a poor substrate for DART detection of gasoline, with the entire signal disappearing in only two hours. Surprisingly, DART easily detected paint thinner on nylon even after 16 hours. Notably, DART was effective in all other cases, detecting both paint thinner and gasoline over a 0- to 16-hour period on cotton and drywall substrates. We conclude that DART sample detection directly from household materials is not simply a matter of vapor pressure; instead, direct DART detection probably dependent on a complex interaction involving adsorption effects or matrix effects on the ionization mechanism of the flammable solvents. We demonstrate and report a potentially simple, powerful, and useful alternative to traditional mass spectrometric analysis.},\n\tnumber = {6},\n\tjournal = {Journal of Forensic Identification},\n\tauthor = {Coates, C.M. and Coticone, S. and Barreto, P.D. and Cobb, A.E. and Cody, R.B. and Barreto, J.C.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {624 --631},\n}\n\n\n\n
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\n In this study, we report the analysis of volatile flammable solvents present on common household materials by employing a mass spectrometric technique that incorporates a novel ion source: direct analysis in real time (DART). We used the new ionization method to directly volatilize and ionize a solvent sample, which was then sent to a high-resolution mass spectrometer. We analyzed two common flammable solvents, gasoline and paint thinner, directly from cotton, drywall, and nylon materials. DART sampling occurs directly from the chemical matrix of the common household materials, with no sample preparation needed. Cotton swabs containing solvents, gasoline, and paint thinner produced characteristic signature peaks. In addition, different substrates (cotton, nylon, and drywall) containing gasoline and paint thinner were tested to determine the possibility of detecting aromatic and aliphatic solvents from a complex chemical matrix using DART technology. Specifically, we discovered that nylon was a poor substrate for DART detection of gasoline, with the entire signal disappearing in only two hours. Surprisingly, DART easily detected paint thinner on nylon even after 16 hours. Notably, DART was effective in all other cases, detecting both paint thinner and gasoline over a 0- to 16-hour period on cotton and drywall substrates. We conclude that DART sample detection directly from household materials is not simply a matter of vapor pressure; instead, direct DART detection probably dependent on a complex interaction involving adsorption effects or matrix effects on the ionization mechanism of the flammable solvents. We demonstrate and report a potentially simple, powerful, and useful alternative to traditional mass spectrometric analysis.\n
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\n \n\n \n \n \n \n \n \n Rapid and sensitive determination of acrylamide in drinking water by planar chromatography and fluorescence detection after derivatization with dansulfinic acid.\n \n \n \n \n\n\n \n Alpmann, A.; and Morlock, G.\n\n\n \n\n\n\n Journal of Separation Science, 31(1): 71–77. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{alpmann_rapid_2008,\n\ttitle = {Rapid and sensitive determination of acrylamide in drinking water by planar chromatography and fluorescence detection after derivatization with dansulfinic acid},\n\tvolume = {31},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.200700391},\n\tabstract = {On the basis of a novel derivatization, a new planar chromatographic method has been developed for the determination of acrylamide (AA) in drinking water at the ultra-trace level. After SPE, the water extracts were oversprayed on a high-performance thin-layer chromatography (HPTLC) silica gel plate with the derivatization agent dansulfinic acid and derivatized in situ. Chromatography was performed with ethyl acetate and the fluorescent product was quantified at 366/{\\textgreater}400 nm. Verification was based on HPTLC-ESI/MS, HPTLC-direct analysis in real-time (DART)-TOF/MS and NMR. The routine HPTLC-fluorescence detection (FLD) method was validated for spiked drinking water. The regression analysis was linear (r {\\textgreater}0.9918) in the range of 0.1-0.4 mug/L. LOD was calculated to be 0.025 mug/L and experimentally proved for spiked samples at levels down to 0.05 mug/L (S/N = 6) which was suited for monitoring the EU limit value of 0.1 mug/L in drinking water (0.5 mug/L demanded by World Health Organization (WHO)/US Environmental Protection Agency (EPA)). Within-run precision and the mean between-run precision (RSD, n = 3, three concentration levels each) were evaluated to be 4.8 and 11.0\\%, respectively. The mean recovery (0.1, 0.2, and 0.3 mug/L) was 96\\% corrected by the internal standard. The method, in comparison with HPLC-MS/MS showed comparable results and demonstrated the accuracy of the method.},\n\tnumber = {1},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Alpmann, Alexander and Morlock, Gertrud},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {71--77},\n}\n\n\n\n
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\n On the basis of a novel derivatization, a new planar chromatographic method has been developed for the determination of acrylamide (AA) in drinking water at the ultra-trace level. After SPE, the water extracts were oversprayed on a high-performance thin-layer chromatography (HPTLC) silica gel plate with the derivatization agent dansulfinic acid and derivatized in situ. Chromatography was performed with ethyl acetate and the fluorescent product was quantified at 366/\\textgreater400 nm. Verification was based on HPTLC-ESI/MS, HPTLC-direct analysis in real-time (DART)-TOF/MS and NMR. The routine HPTLC-fluorescence detection (FLD) method was validated for spiked drinking water. The regression analysis was linear (r \\textgreater0.9918) in the range of 0.1-0.4 mug/L. LOD was calculated to be 0.025 mug/L and experimentally proved for spiked samples at levels down to 0.05 mug/L (S/N = 6) which was suited for monitoring the EU limit value of 0.1 mug/L in drinking water (0.5 mug/L demanded by World Health Organization (WHO)/US Environmental Protection Agency (EPA)). Within-run precision and the mean between-run precision (RSD, n = 3, three concentration levels each) were evaluated to be 4.8 and 11.0%, respectively. The mean recovery (0.1, 0.2, and 0.3 mug/L) was 96% corrected by the internal standard. The method, in comparison with HPLC-MS/MS showed comparable results and demonstrated the accuracy of the method.\n
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\n \n\n \n \n \n \n \n An Inexpensive Autosampler to Maximize Throughput for an Ion Source that Samples Surfaces in Open Air.\n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Environmental Forensics, 9(2): 127–136. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_inexpensive_2008,\n\ttitle = {An {Inexpensive} {Autosampler} to {Maximize} {Throughput} for an {Ion} {Source} that {Samples} {Surfaces} in {Open} {Air}},\n\tvolume = {9},\n\tissn = {1527-5922},\n\tabstract = {Rapid analysis of hundreds of wipe samples after a chemical dispersion event is essential for quickly characterizing the hazard posed to the public. An autosampler was built to pull 76 cotton swabs mounted along a 91-cm (3-foot) long, square aluminum rod in open air, through the ionizing beam of a direct analysis in real time (DART) ion source interfaced to a time-of-flight mass spectrometer. The rod and swabs mounted on N-scale model railroad flat cars were pulled through the ion source in 7.5 min by a 7-rpm motor. Percent relative standard deviations (\\%RSDs) of 18.5\\% to 21.3\\% were obtained for the chromatographic peak areas of the protonated molecule. Maximum-to-minimum ratios of the areas were between 2.22 and 2.71. Measured exact masses of analyte ions were always accurate to within 1 mDa.},\n\tnumber = {2},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, Andrew H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {127--136},\n}\n\n\n\n
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\n Rapid analysis of hundreds of wipe samples after a chemical dispersion event is essential for quickly characterizing the hazard posed to the public. An autosampler was built to pull 76 cotton swabs mounted along a 91-cm (3-foot) long, square aluminum rod in open air, through the ionizing beam of a direct analysis in real time (DART) ion source interfaced to a time-of-flight mass spectrometer. The rod and swabs mounted on N-scale model railroad flat cars were pulled through the ion source in 7.5 min by a 7-rpm motor. Percent relative standard deviations (%RSDs) of 18.5% to 21.3% were obtained for the chromatographic peak areas of the protonated molecule. Maximum-to-minimum ratios of the areas were between 2.22 and 2.71. Measured exact masses of analyte ions were always accurate to within 1 mDa.\n
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\n \n\n \n \n \n \n \n Pharmacokinetic analysis of anti-allergy and anti-inflammation bioactives in a nettle (Urtica dioica) extract.\n \n \n \n\n\n \n Ayers, S.; Roschek, B. J.; Williams, J.; and Alberte, R.\n\n\n \n\n\n\n Online Journal of Pharmacology and PharmacoKinetics, 5: 6–21. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{ayers_pharmacokinetic_2008,\n\ttitle = {Pharmacokinetic analysis of anti-allergy and anti-inflammation bioactives in a nettle ({Urtica} dioica) extract.},\n\tvolume = {5},\n\tabstract = {Pharmacokinetic analyses were conducted using DART TOF-MS on the uptake of bioactive components present in a nettle (Urtica dioica) extract delivered orally as a lozenge. Previously adenine, synephrine, osthole, and nicotinamide were shown to be key bioactives contributing to the anti-inflammatory and anti-allergy properties of the nettle extract (Roschek et al, 2009). Average serum concentrations of adenine reached 35.2 nmol L-1, nicotinamide reached 8.7 nmol L-1, osthole reached 11.0 nmol L-1, and synephrine reached 107.4 nmol L-1. These serum levels are equivalent to 0.3\\%, 0.2\\%, 0.2\\%, and 1.6\\% oral bioavailability for adenine, synephrine, osthole and nicotinamide respectively. Urine concentrations for adenine, nicotinamide, synephrine, and osthole reached 4.9 nmol L-1, 2.5 nmol L-1, 6.6 nmol L-1, and 0.2 nmol L-1, respectively. The major pharmacokinetic parameters (Cmax, Tmax, T1/2) were determined and compared for serum and urine. For all three of the compounds, Cmax values decreased 2- to 16-fold in urine compared to serum, Tmax values increased 2- to 12-fold, and T1/2 values increased 2- to 10-fold. Molecular modeling revealed that these compounds were not likely to cross the blood-brain barrier, particularly important for the anti-histamine bioactives to ensure a non-drowsy activity. These results show that antiinflammatory and anti-allergenic compounds in nettle are readily absorbed into the body and excreted in the urine when a nettle extract is delivered orally as a lozenge. In addition, DART TOF-MS is useful in quantifying multiple components in biological matrices with little or no sample preparation.},\n\tjournal = {Online Journal of Pharmacology and PharmacoKinetics},\n\tauthor = {Ayers, S. and Roschek, B. Jr and Williams, J.M. and Alberte, R.S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {6--21},\n}\n\n\n\n
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\n\n\n
\n Pharmacokinetic analyses were conducted using DART TOF-MS on the uptake of bioactive components present in a nettle (Urtica dioica) extract delivered orally as a lozenge. Previously adenine, synephrine, osthole, and nicotinamide were shown to be key bioactives contributing to the anti-inflammatory and anti-allergy properties of the nettle extract (Roschek et al, 2009). Average serum concentrations of adenine reached 35.2 nmol L-1, nicotinamide reached 8.7 nmol L-1, osthole reached 11.0 nmol L-1, and synephrine reached 107.4 nmol L-1. These serum levels are equivalent to 0.3%, 0.2%, 0.2%, and 1.6% oral bioavailability for adenine, synephrine, osthole and nicotinamide respectively. Urine concentrations for adenine, nicotinamide, synephrine, and osthole reached 4.9 nmol L-1, 2.5 nmol L-1, 6.6 nmol L-1, and 0.2 nmol L-1, respectively. The major pharmacokinetic parameters (Cmax, Tmax, T1/2) were determined and compared for serum and urine. For all three of the compounds, Cmax values decreased 2- to 16-fold in urine compared to serum, Tmax values increased 2- to 12-fold, and T1/2 values increased 2- to 10-fold. Molecular modeling revealed that these compounds were not likely to cross the blood-brain barrier, particularly important for the anti-histamine bioactives to ensure a non-drowsy activity. These results show that antiinflammatory and anti-allergenic compounds in nettle are readily absorbed into the body and excreted in the urine when a nettle extract is delivered orally as a lozenge. In addition, DART TOF-MS is useful in quantifying multiple components in biological matrices with little or no sample preparation.\n
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\n \n\n \n \n \n \n \n An Integrated Wipe Sample Transport/Autosampler to Maximize Throughput for a Direct Analysis in Real Time (DART)/Orthogonal Acceleration, Time-of-Flight Mass Spectrometer (oa-TOFMS).\n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Environmental Forensics, 9(2): 137 – 143. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_integrated_2008,\n\ttitle = {An {Integrated} {Wipe} {Sample} {Transport}/{Autosampler} to {Maximize} {Throughput} for a {Direct} {Analysis} in {Real} {Time} ({DART})/{Orthogonal} {Acceleration}, {Time}-of-{Flight} {Mass} {Spectrometer} (oa-{TOFMS})},\n\tvolume = {9},\n\tissn = {1527-5922},\n\tabstract = {A wipe sample transport was designed and built to meet two objectives: to simplify collection, storage, and transport of cotton swab wipe samples and to provide a sample train of 72 wipe samples nearly ready for analysis when the swabs reach the laboratory. The cotton swabs are mounted on an Al rod that is the sample support for an autosampler used to perform direct analysis in real time (DART)/orthogonal acceleration, time-of-flight mass spectrometry (oa-TOFMS) analyses. The goal is for one analyst to analyze 1000 wipe samples mounted on 14 Al rods in one 8-h shift.},\n\tnumber = {2},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, Andrew H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {137 -- 143},\n}\n\n\n\n
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\n A wipe sample transport was designed and built to meet two objectives: to simplify collection, storage, and transport of cotton swab wipe samples and to provide a sample train of 72 wipe samples nearly ready for analysis when the swabs reach the laboratory. The cotton swabs are mounted on an Al rod that is the sample support for an autosampler used to perform direct analysis in real time (DART)/orthogonal acceleration, time-of-flight mass spectrometry (oa-TOFMS) analyses. The goal is for one analyst to analyze 1000 wipe samples mounted on 14 Al rods in one 8-h shift.\n
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\n \n\n \n \n \n \n \n \n Characterization of “Yaa Chud” Medicine on the Thailand–Myanmar Border: Selecting for Drug-resistant Malaria and Threatening Public Health.\n \n \n \n \n\n\n \n Newton, P. N.; Hampton, C. Y.; Alter-Hall, K.; Teerwarakulpana, T.; Prakongpan, S.; Ruangveerayuth, R.; White, N. J.; Day, N. P. J.; Tudino, M. B.; Mancuso, N.; and Fernández, F. M.\n\n\n \n\n\n\n The American Journal of Tropical Medicine and Hygiene, 79(5): 662 –669. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{newton_characterization_2008,\n\ttitle = {Characterization of “{Yaa} {Chud}” {Medicine} on the {Thailand}–{Myanmar} {Border}: {Selecting} for {Drug}-resistant {Malaria} and {Threatening} {Public} {Health}},\n\tvolume = {79},\n\turl = {http://www.ajtmh.org/content/79/5/662.abstract},\n\tabstract = {Multidrug-resistant Plasmodium falciparum malaria is a severe public health problem on the Thailand–Myanmar border. Many villagers buy packets of 4–5 mixed medicines (“yaa chud”) from shops without medical assessment as their first-line malaria treatment. In 2000–2001 a local researcher purchased 50 yaa chud from 44 shops around Mae Sot, Thailand and Myawaddy, Myanmar (Burma), for his wife who was said to be pregnant with fever and drowsiness. The tablets/capsules were provisionally identified by appearance and active ingredients determined in a subset by using mass and atomic spectrometry. The most frequently detected active ingredients were acetaminophen (22\\%), chlorpheniramine (13.4\\%), chloroquine (12.6\\%), tetracycline/doxycycline (11.4\\%), and quinine (5.1\\%). Only seven bags contained potentially curative medicine for malaria. A total of 82\\% of the bags contained medicines contraindicated in pregnancy. Inappropriate, ineffective antimalarial drugs on the Thailand–Myanmar border are likely to increase malaria morbidity, mortality and health costs and engender the emergence and spread of antimalarial drug resistance.},\n\tnumber = {5},\n\tjournal = {The American Journal of Tropical Medicine and Hygiene},\n\tauthor = {Newton, Paul N. and Hampton, Christina Y. and Alter-Hall, Krystyn and Teerwarakulpana, Thanongsak and Prakongpan, Sompol and Ruangveerayuth, Ronnatrai and White, Nicholas J. and Day, Nicholas P. J. and Tudino, Mabel B. and Mancuso, Natalia and Fernández, Facundo M.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {662 --669},\n}\n\n\n\n
\n
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\n Multidrug-resistant Plasmodium falciparum malaria is a severe public health problem on the Thailand–Myanmar border. Many villagers buy packets of 4–5 mixed medicines (“yaa chud”) from shops without medical assessment as their first-line malaria treatment. In 2000–2001 a local researcher purchased 50 yaa chud from 44 shops around Mae Sot, Thailand and Myawaddy, Myanmar (Burma), for his wife who was said to be pregnant with fever and drowsiness. The tablets/capsules were provisionally identified by appearance and active ingredients determined in a subset by using mass and atomic spectrometry. The most frequently detected active ingredients were acetaminophen (22%), chlorpheniramine (13.4%), chloroquine (12.6%), tetracycline/doxycycline (11.4%), and quinine (5.1%). Only seven bags contained potentially curative medicine for malaria. A total of 82% of the bags contained medicines contraindicated in pregnancy. Inappropriate, ineffective antimalarial drugs on the Thailand–Myanmar border are likely to increase malaria morbidity, mortality and health costs and engender the emergence and spread of antimalarial drug resistance.\n
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\n \n\n \n \n \n \n \n Pharmacokinetics of Cyanidin and Anti-Influenza Phytonutrients in an Elder Berry Extract Determined by LC-MS and DART TOF-MS.\n \n \n \n\n\n \n Roschek Jr., B.; and Alberte, R.\n\n\n \n\n\n\n Online Journal of Pharmacology and Pharmacokinetics, 4: 1–17. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{roschek_jr._pharmacokinetics_2008,\n\ttitle = {Pharmacokinetics of {Cyanidin} and {Anti}-{Influenza} {Phytonutrients} in an {Elder} {Berry} {Extract} {Determined} by {LC}-{MS} and {DART} {TOF}-{MS}},\n\tvolume = {4},\n\tjournal = {Online Journal of Pharmacology and Pharmacokinetics},\n\tauthor = {Roschek Jr., B. and Alberte, R.S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {1--17},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Cuticular hydrocarbon analysis of an awake behaving fly using direct analysis in real-time time-of-flight mass spectrometry.\n \n \n \n\n\n \n Yew, J. Y.; Cody, R. B.; and Kravitz, E. A.\n\n\n \n\n\n\n Proceedings of the National Academy of Sciences, 105(20): 7135–7140. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{yew_cuticular_2008,\n\ttitle = {Cuticular hydrocarbon analysis of an awake behaving fly using direct analysis in real-time time-of-flight mass spectrometry},\n\tvolume = {105},\n\tdoi = {10.1073/pnas.0802692105},\n\tabstract = {In mammals and insects, pheromones strongly influence social behaviors such as aggression and mate recognition. In , pheromones in the form of cuticular hydrocarbons play prominent roles in courtship. GC/MS is the primary analytical tool currently used to study cuticular hydrocarbons. Although GC/MS is highly reproducible and sensitive, it requires that the fly be placed in a lethal solution of organic solvent, thereby impeding further behavioral studies. We present a technique for the analysis of hydrocarbons and other surface molecules from live animals by using direct analysis in real-time (DART) MS. Cuticular hydrocarbons were sampled from the surface of a restrained, awake behaving fly by using several brief, carefully controlled depressions of the abdomen with a small steel probe. DART mass spectral analysis of the probe detected ions with mass-to-charge ratio (/) of the protonated molecule corresponding to many of the previously identified unsaturated hydrocarbons. Six additional cuticular hydrocarbons also were identified. Consistent with previous GC/MS studies, male and female differences in chemical composition were evident. Spatial differences in the expression profile also were observed on males. Sampling from an individual female first as a virgin and then 45 and 90 min after successful copulation showed that mass signals likely to correspond to -vaccenyl acetate, tricosene, and pentacosene increased in relative intensity after courtship. This method provides near-instantaneous analysis of an individual animal's chemical profile in parallel with behavioral studies and could be extended to other models of pheromone-mediated behavior.},\n\tnumber = {20},\n\tjournal = {Proceedings of the National Academy of Sciences},\n\tauthor = {Yew, Joanne Y. and Cody, Robert B. and Kravitz, Edward A.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {7135--7140},\n}\n\n\n\n
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\n\n\n
\n In mammals and insects, pheromones strongly influence social behaviors such as aggression and mate recognition. In , pheromones in the form of cuticular hydrocarbons play prominent roles in courtship. GC/MS is the primary analytical tool currently used to study cuticular hydrocarbons. Although GC/MS is highly reproducible and sensitive, it requires that the fly be placed in a lethal solution of organic solvent, thereby impeding further behavioral studies. We present a technique for the analysis of hydrocarbons and other surface molecules from live animals by using direct analysis in real-time (DART) MS. Cuticular hydrocarbons were sampled from the surface of a restrained, awake behaving fly by using several brief, carefully controlled depressions of the abdomen with a small steel probe. DART mass spectral analysis of the probe detected ions with mass-to-charge ratio (/) of the protonated molecule corresponding to many of the previously identified unsaturated hydrocarbons. Six additional cuticular hydrocarbons also were identified. Consistent with previous GC/MS studies, male and female differences in chemical composition were evident. Spatial differences in the expression profile also were observed on males. Sampling from an individual female first as a virgin and then 45 and 90 min after successful copulation showed that mass signals likely to correspond to -vaccenyl acetate, tricosene, and pentacosene increased in relative intensity after courtship. This method provides near-instantaneous analysis of an individual animal's chemical profile in parallel with behavioral studies and could be extended to other models of pheromone-mediated behavior.\n
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\n \n\n \n \n \n \n \n HRMS Directly From TLC Slides. A Powerful Tool for Rapid Analysis of Organic Mixtures.\n \n \n \n\n\n \n Smith, N. J.; Domin, M. A.; and Scott, L. T.\n\n\n \n\n\n\n Organic Letters, 10(16): 3493–3496. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{smith_hrms_2008,\n\ttitle = {{HRMS} {Directly} {From} {TLC} {Slides}. {A} {Powerful} {Tool} for {Rapid} {Analysis} of {Organic} {Mixtures}},\n\tvolume = {10},\n\tissn = {1523-7060},\n\tabstract = {Abstract: High-resolution mass spectra (HRMS) of individual spots on thin-layer chromatography (TLC) slides can now be obtained quickly and easily at atmospheric pressure, with zero sample preparation, using commercially available instrumentation. The method is complementary to GC mass spectrometry but is not limited to compounds of high volatility and high thermal stability. TLC HRMS can be used to monitor chemical reactions in real time and has the capacity thereby to accelerate significantly the pace of synthetic organic chemistry.},\n\tnumber = {16},\n\tjournal = {Organic Letters},\n\tauthor = {Smith, Natalie J. and Domin, Marek A. and Scott, Lawrence T.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {3493--3496},\n}\n\n\n\n
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\n Abstract: High-resolution mass spectra (HRMS) of individual spots on thin-layer chromatography (TLC) slides can now be obtained quickly and easily at atmospheric pressure, with zero sample preparation, using commercially available instrumentation. The method is complementary to GC mass spectrometry but is not limited to compounds of high volatility and high thermal stability. TLC HRMS can be used to monitor chemical reactions in real time and has the capacity thereby to accelerate significantly the pace of synthetic organic chemistry.\n
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\n \n\n \n \n \n \n \n Analysis of hairy root culture of Rauvolfia serpentina using direct analysis in real time mass spectrometric technique.\n \n \n \n\n\n \n Madhusudanan, K. P.; Banerjee, S.; Khanuja, S. P. S.; and Chattopadhyay, S. K.\n\n\n \n\n\n\n Biomedical Chromatography, 22(6): 596–600. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{madhusudanan_analysis_2008,\n\ttitle = {Analysis of hairy root culture of {Rauvolfia} serpentina using direct analysis in real time mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the hairy root culture of Rauvolfia serpentina. The intact hairy roots were analyzed by holding them in the gap between the DART source and the mass spectrometer for measurements. Two nitrogen-containing compounds, vomilenine and reserpine, were characterized from the analysis of the hairy roots almost instantaneously. The confirmation of the structures of the identified compounds was made through their accurate molecular formula determinations. This is the first report of the application of DART technique for the characterization of compounds that are expressed in the hairy root cultures of Rauvolfia serpentina. Moreover, this also constitutes the first report of expression of reserpine in the hairy root culture of Rauvolfia serpentina.},\n\tnumber = {6},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Madhusudanan, K. P. and Banerjee, Suchitra and Khanuja, Suman P. S. and Chattopadhyay, Sunil K.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {596--600},\n}\n\n\n\n
\n
\n\n\n
\n The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the hairy root culture of Rauvolfia serpentina. The intact hairy roots were analyzed by holding them in the gap between the DART source and the mass spectrometer for measurements. Two nitrogen-containing compounds, vomilenine and reserpine, were characterized from the analysis of the hairy roots almost instantaneously. The confirmation of the structures of the identified compounds was made through their accurate molecular formula determinations. This is the first report of the application of DART technique for the characterization of compounds that are expressed in the hairy root cultures of Rauvolfia serpentina. Moreover, this also constitutes the first report of expression of reserpine in the hairy root culture of Rauvolfia serpentina.\n
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\n \n\n \n \n \n \n \n Automated determination of precursor ion, product ion, and neutral loss compositions and deconvolution of composite mass spectra using ion correlation based on exact masses and relative isotopic abundances.\n \n \n \n\n\n \n Grange, A. H.; and Sovocool, G. W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 22(15): 2375–2390. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_automated_2008,\n\ttitle = {Automated determination of precursor ion, product ion, and neutral loss compositions and deconvolution of composite mass spectra using ion correlation based on exact masses and relative isotopic abundances},\n\tvolume = {22},\n\tissn = {1097-0231},\n\tabstract = {After an accidental, deliberate, or weather-related dispersion of chemicals (dispersive event), rapid determination of elemental compositions of ions in mass spectra is essential for tentatively identifying compounds. A direct analysis in real time (DART)® ion source interfaced to a JEOL AccuTOF® mass spectrometer provided exact masses accurate to within 2 mDa for most ions in full scan mass spectra and relative isotopic abundances (RIAs) accurate to within 15-20\\% for abundant isotopic ions. To speed determination of the correct composition for precursor ions and most product ions and neutral losses, a three-part software suite was developed. Starting with text files of m/z ratios and their ion abundances from mass spectra acquired at low, moderate, and high collision energies, the ion extraction program (IEP) compiled lists for the most abundant monoisotopic ions of their exact masses and the RIAs of the +1 and +2 isotopic peaks when abundance thresholds were met; precursor ions; and higher-mass, precursor-related species. The ion correlation program (ICP) determined if a precursor ion composition could yield a product ion and corresponding neutral loss compositions for each product ion in turn. The input and output program (IOP) provided the ICP with each precursor ion:product ion pair for multiple sets of error limits and prepared correlation lists for single or multiple precursor ions. The software determined the correct precursor ion compositions for 21 individual standards and for three- and seven-component mixtures. Partial deconvolution of composite mass spectra was achieved based on exact masses and RIAs, rather than on chromatography. Published in 2008 by John Wiley \\& Sons, Ltd.},\n\tnumber = {15},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H. and Sovocool, G. Wayne},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {2375--2390},\n}\n\n\n\n
\n
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\n After an accidental, deliberate, or weather-related dispersion of chemicals (dispersive event), rapid determination of elemental compositions of ions in mass spectra is essential for tentatively identifying compounds. A direct analysis in real time (DART)® ion source interfaced to a JEOL AccuTOF® mass spectrometer provided exact masses accurate to within 2 mDa for most ions in full scan mass spectra and relative isotopic abundances (RIAs) accurate to within 15-20% for abundant isotopic ions. To speed determination of the correct composition for precursor ions and most product ions and neutral losses, a three-part software suite was developed. Starting with text files of m/z ratios and their ion abundances from mass spectra acquired at low, moderate, and high collision energies, the ion extraction program (IEP) compiled lists for the most abundant monoisotopic ions of their exact masses and the RIAs of the +1 and +2 isotopic peaks when abundance thresholds were met; precursor ions; and higher-mass, precursor-related species. The ion correlation program (ICP) determined if a precursor ion composition could yield a product ion and corresponding neutral loss compositions for each product ion in turn. The input and output program (IOP) provided the ICP with each precursor ion:product ion pair for multiple sets of error limits and prepared correlation lists for single or multiple precursor ions. The software determined the correct precursor ion compositions for 21 individual standards and for three- and seven-component mixtures. Partial deconvolution of composite mass spectra was achieved based on exact masses and RIAs, rather than on chromatography. Published in 2008 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n GC–TOF-MS and DART–TOF-MS: Challenges in the Analysis of Soft Drinks.\n \n \n \n\n\n \n Cajka, T.; Vaclavik, L.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n LC/GC Europe, 21(5): 250–256. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cajka_gctof-ms_2008,\n\ttitle = {{GC}–{TOF}-{MS} and {DART}–{TOF}-{MS}: {Challenges} in the {Analysis} of {Soft} {Drinks}.},\n\tvolume = {21},\n\tabstract = {The potential of the time-of-flight mass spectrometry (TOF-MS) to innovate the analysis of soft drinks is described using gas chromatography (GC) hyphenated to TOF-MS and a new type of ion source, direct analysis in real time (DART), coupled to high-resolution TOF-MS. Head-space solid-phase microextraction (SPME) was used to isolate/extract volatile compounds followed by GC–TOF-MS to identify tainted compound in contaminated soft drinks. Direct analysis in real time–time-of-flight mass spectrometry (DART–TOF-MS) was also used to obtain negative and positive ion profiles of different soft drinks to determine the presence of various compounds, including antimicrobial preservatives, artificial sweeteners, acidulants and saccharides, without any sample preparation and chromatographic separation.},\n\tnumber = {5},\n\tjournal = {LC/GC Europe},\n\tauthor = {Cajka, T. and Vaclavik, L. and Riddellova, K. and Hajslova, J.},\n\tyear = {2008},\n\tkeywords = {AccuTOF; GC x GC; Leco Pegasus},\n\tpages = {250--256},\n}\n\n\n\n
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\n The potential of the time-of-flight mass spectrometry (TOF-MS) to innovate the analysis of soft drinks is described using gas chromatography (GC) hyphenated to TOF-MS and a new type of ion source, direct analysis in real time (DART), coupled to high-resolution TOF-MS. Head-space solid-phase microextraction (SPME) was used to isolate/extract volatile compounds followed by GC–TOF-MS to identify tainted compound in contaminated soft drinks. Direct analysis in real time–time-of-flight mass spectrometry (DART–TOF-MS) was also used to obtain negative and positive ion profiles of different soft drinks to determine the presence of various compounds, including antimicrobial preservatives, artificial sweeteners, acidulants and saccharides, without any sample preparation and chromatographic separation.\n
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\n \n\n \n \n \n \n \n Quantification of small molecules in plasma with direct analysis in real time tandem mass spectrometry, without sample preparation and liquid chromatographic separation.\n \n \n \n\n\n \n Zhao, Y.; Lam, M.; Wu, D.; and R., M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 22(20): 3217–3224. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{zhao_quantification_2008,\n\ttitle = {Quantification of small molecules in plasma with direct analysis in real time tandem mass spectrometry, without sample preparation and liquid chromatographic separation.},\n\tvolume = {22},\n\tabstract = {Recently, a new ion source, Direct Analysis in Real Time (DART), has been introduced which allows direct biological sample introduction into a mass spectrometry (MS) system. The elimination of conventionally required sample preparation and separation by high-performance liquid chromatography (HPLC) prior to MS analysis represents a remarkable opportunity to reduce assay turn-around time, environmental impact and capital/manpower investment. This new technology initially was used in various qualitative applications to directly detect chemicals on solid surfaces, in liquids and gases. In this study, a DART source operating under ambient pressure with ground potential was installed onto a Sciex 4000 tandem mass spectrometer and employed in the sample analysis of plasma based on direct introduction into the DART-MS/MS system. Reasonable precision and accuracy (\\%CV and \\%Error, both {\\textless}10\\%) were achieved of a significant number of compounds tested in biological fluids. In addition, the limit of detection for 80\\% of the tested compounds reached 5 ng/mL or lower which is sufficient for pharmaceutical drug discovery support. Finally, experimental conditions that significantly impacted assay performance were investigated with respect to optimization and limitation. Because of its simplicity, fast data acquisition (3-5 s) and low cost, DART has the potential to significantly impact quantitative pharmaceutical analysis in biological matrices.},\n\tnumber = {20},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Zhao, Y. and Lam, M. and Wu, D. and R., Mak},\n\tyear = {2008},\n\tkeywords = {Applied Biosystems Triple Quad},\n\tpages = {3217--3224},\n}\n\n\n\n
\n
\n\n\n
\n Recently, a new ion source, Direct Analysis in Real Time (DART), has been introduced which allows direct biological sample introduction into a mass spectrometry (MS) system. The elimination of conventionally required sample preparation and separation by high-performance liquid chromatography (HPLC) prior to MS analysis represents a remarkable opportunity to reduce assay turn-around time, environmental impact and capital/manpower investment. This new technology initially was used in various qualitative applications to directly detect chemicals on solid surfaces, in liquids and gases. In this study, a DART source operating under ambient pressure with ground potential was installed onto a Sciex 4000 tandem mass spectrometer and employed in the sample analysis of plasma based on direct introduction into the DART-MS/MS system. Reasonable precision and accuracy (%CV and %Error, both \\textless10%) were achieved of a significant number of compounds tested in biological fluids. In addition, the limit of detection for 80% of the tested compounds reached 5 ng/mL or lower which is sufficient for pharmaceutical drug discovery support. Finally, experimental conditions that significantly impacted assay performance were investigated with respect to optimization and limitation. Because of its simplicity, fast data acquisition (3-5 s) and low cost, DART has the potential to significantly impact quantitative pharmaceutical analysis in biological matrices.\n
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\n \n\n \n \n \n \n \n Solvent Effect on the Self-Assembled Structure of an Amphiphilic Perylene Diimide Derivative.\n \n \n \n\n\n \n Yang, X.; Xu, X.; and Ji, H.\n\n\n \n\n\n\n Journal of Physical Chemistry B, 112: 7196–7202. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{yang_solvent_2008,\n\ttitle = {Solvent {Effect} on the {Self}-{Assembled} {Structure} of an {Amphiphilic} {Perylene} {Diimide} {Derivative}},\n\tvolume = {112},\n\tdoi = {10.1021/jp801413k},\n\tabstract = {An amphiphilic electron-deficient (n-type) perylene diimide has been synthesized and characterized. The diimide\ncontains a hydrophobic long chain on one end and a hydrophilic ethoxy chain on the other. The self-assembly\nof this molecule in polar and nonpolar solvents has been demonstrated by concentration- and temperaturedependent\nabsorption and fluorescence spectroscopies. Analysis of the spectral change for the aggregates\nshows typical J-aggregates for structures precipitated from polar solvents and H-aggregates for structures\nprecipitated from nonpolar solvents. SEM and TEM micrographs and a suggested packing scheme, compatible\nwith the formation of nanostrips in nonpolar solvents and nanofibers in polar solvents, are presented.},\n\tjournal = {Journal of Physical Chemistry B},\n\tauthor = {Yang, Xin and Xu, Xiaohe and Ji, Hai-Feng},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {7196--7202},\n}\n\n\n\n
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\n An amphiphilic electron-deficient (n-type) perylene diimide has been synthesized and characterized. The diimide contains a hydrophobic long chain on one end and a hydrophilic ethoxy chain on the other. The self-assembly of this molecule in polar and nonpolar solvents has been demonstrated by concentration- and temperaturedependent absorption and fluorescence spectroscopies. Analysis of the spectral change for the aggregates shows typical J-aggregates for structures precipitated from polar solvents and H-aggregates for structures precipitated from nonpolar solvents. SEM and TEM micrographs and a suggested packing scheme, compatible with the formation of nanostrips in nonpolar solvents and nanofibers in polar solvents, are presented.\n
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\n \n\n \n \n \n \n \n An Autosampler and Field Sample Carrier for Maximizing Throughput Using an Open-Air Source for MS.\n \n \n \n\n\n \n Grange, A.\n\n\n \n\n\n\n American Laboratory, 40(16): 11–13. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_autosampler_2008,\n\ttitle = {An {Autosampler} and {Field} {Sample} {Carrier} for {Maximizing} {Throughput} {Using} an {Open}-{Air} {Source} for {MS}},\n\tvolume = {40},\n\tnumber = {16},\n\tjournal = {American Laboratory},\n\tauthor = {Grange, A.H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {11--13},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Control of Strobilurin Fungicides in Wheat Using Direct Analysis in Real Time Accurate Time-of-Flight and Desorption Electrospray Ionization Linear Ion Trap Mass Spectrometry.\n \n \n \n\n\n \n Schurek, J.; Vaclavik, L.; Hooijerink, H.; Lacina, O.; Poustka, J.; Sharman, M.; Caldow, M.; Nielen, M. W. F.; and Hajslova, J.\n\n\n \n\n\n\n Analytical Chemistry, 80(24): 9567–9575. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{schurek_control_2008,\n\ttitle = {Control of {Strobilurin} {Fungicides} in {Wheat} {Using} {Direct} {Analysis} in {Real} {Time} {Accurate} {Time}-of-{Flight} and {Desorption} {Electrospray} {Ionization} {Linear} {Ion} {Trap} {Mass} {Spectrometry}},\n\tvolume = {80},\n\tdoi = {10.1021/ac8018137},\n\tabstract = {Ambient mass spectrometry has been used for the analysis of strobilurin residues in wheat. The use of this novel, challenging technique, employing a direct analysis in a real time (DART) ion-source coupled with a time-of-flight mass spectrometer (TOF MS) and a desorption electrospray ionization (DESI) source coupled with a linear ion trap tandem MS (LIT MSn), permitted a direct screen of the occurrence of target fungicides in treated grains in less than 1 min. For quantification purpose by DART-TOF MS, an ethyl acetate extract had to be prepared. With the use of a prochloraz as an internal standard, the performance characteristics obtained by repeated analyses of extract, spiked at 50 μg kg−1 with six strobilurins (azoxystrobin, picoxystrobin, dimoxystrobin, kresoxim-methyl, pyraclostrobin, and trifloxystrobin), were in the following range: recoveries 78−92\\%, repeatability (RSD) 8−15\\%, linearity (R2) 0.9900−0.9978. The analysis of wheat with incurred strobilurin residues demonstrated good trueness of data generated by the DART-TOF MS method; the results were in a good agreement with those obtained by the conventional approach, i.e., by the QuEChERS sample handling procedure followed by identification/quantification employing high-performance liquid chromatography coupled with tandem mass spectrometry (LC−MS/MS). Tandem mass spectrometry using DESI-LIT MSn provided a sufficient number of product ions for confirmation of the identity of azoxystrobin and pyraclostrobin in incurred wheat samples.},\n\tnumber = {24},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Schurek, Jakub and Vaclavik, Lukas and Hooijerink, H. and Lacina, Ondrej and Poustka, Jan and Sharman, Matthew and Caldow, Marianne and Nielen, Michel W. F. and Hajslova, Jana},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {9567--9575},\n}\n\n\n\n
\n
\n\n\n
\n Ambient mass spectrometry has been used for the analysis of strobilurin residues in wheat. The use of this novel, challenging technique, employing a direct analysis in a real time (DART) ion-source coupled with a time-of-flight mass spectrometer (TOF MS) and a desorption electrospray ionization (DESI) source coupled with a linear ion trap tandem MS (LIT MSn), permitted a direct screen of the occurrence of target fungicides in treated grains in less than 1 min. For quantification purpose by DART-TOF MS, an ethyl acetate extract had to be prepared. With the use of a prochloraz as an internal standard, the performance characteristics obtained by repeated analyses of extract, spiked at 50 μg kg−1 with six strobilurins (azoxystrobin, picoxystrobin, dimoxystrobin, kresoxim-methyl, pyraclostrobin, and trifloxystrobin), were in the following range: recoveries 78−92%, repeatability (RSD) 8−15%, linearity (R2) 0.9900−0.9978. The analysis of wheat with incurred strobilurin residues demonstrated good trueness of data generated by the DART-TOF MS method; the results were in a good agreement with those obtained by the conventional approach, i.e., by the QuEChERS sample handling procedure followed by identification/quantification employing high-performance liquid chromatography coupled with tandem mass spectrometry (LC−MS/MS). Tandem mass spectrometry using DESI-LIT MSn provided a sufficient number of product ions for confirmation of the identity of azoxystrobin and pyraclostrobin in incurred wheat samples.\n
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\n \n\n \n \n \n \n \n Flammable Solvent Detection Directly from Common Household Materials Yields Differential Results: An Application of Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n\n\n \n Coates, C.; Coticone, S.; Barreto, P.; Cobb, A.; Cody, R.; and Barreto, J.\n\n\n \n\n\n\n Journal of Forensic Identification, 58(6): 624 –631. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{coates_flammable_2008,\n\ttitle = {Flammable {Solvent} {Detection} {Directly} from {Common} {Household} {Materials} {Yields} {Differential} {Results}: {An} {Application} of {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}.},\n\tvolume = {58},\n\tabstract = {In this study, we report the analysis of volatile flammable solvents present on common household materials by employing a mass spectrometric technique that incorporates a novel ion source: direct analysis in real time (DART). We used the new ionization method to directly volatilize and ionize a solvent sample, which was then sent to a high-resolution mass spectrometer. We analyzed two common flammable solvents, gasoline and paint thinner, directly from cotton, drywall, and nylon materials. DART sampling occurs directly from the chemical matrix of the common household materials, with no sample preparation needed. Cotton swabs containing solvents, gasoline, and paint thinner produced characteristic signature peaks. In addition, different substrates (cotton, nylon, and drywall) containing gasoline and paint thinner were tested to determine the possibility of detecting aromatic and aliphatic solvents from a complex chemical matrix using DART technology. Specifically, we discovered that nylon was a poor substrate for DART detection of gasoline, with the entire signal disappearing in only two hours. Surprisingly, DART easily detected paint thinner on nylon even after 16 hours. Notably, DART was effective in all other cases, detecting both paint thinner and gasoline over a 0- to 16-hour period on cotton and drywall substrates. We conclude that DART sample detection directly from household materials is not simply a matter of vapor pressure; instead, direct DART detection probably dependent on a complex interaction involving adsorption effects or matrix effects on the ionization mechanism of the flammable solvents. We demonstrate and report a potentially simple, powerful, and useful alternative to traditional mass spectrometric analysis.},\n\tnumber = {6},\n\tjournal = {Journal of Forensic Identification},\n\tauthor = {Coates, C.M. and Coticone, S. and Barreto, P.D. and Cobb, A.E. and Cody, R.B. and Barreto, J.C.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {624 --631},\n}\n\n\n\n
\n
\n\n\n
\n In this study, we report the analysis of volatile flammable solvents present on common household materials by employing a mass spectrometric technique that incorporates a novel ion source: direct analysis in real time (DART). We used the new ionization method to directly volatilize and ionize a solvent sample, which was then sent to a high-resolution mass spectrometer. We analyzed two common flammable solvents, gasoline and paint thinner, directly from cotton, drywall, and nylon materials. DART sampling occurs directly from the chemical matrix of the common household materials, with no sample preparation needed. Cotton swabs containing solvents, gasoline, and paint thinner produced characteristic signature peaks. In addition, different substrates (cotton, nylon, and drywall) containing gasoline and paint thinner were tested to determine the possibility of detecting aromatic and aliphatic solvents from a complex chemical matrix using DART technology. Specifically, we discovered that nylon was a poor substrate for DART detection of gasoline, with the entire signal disappearing in only two hours. Surprisingly, DART easily detected paint thinner on nylon even after 16 hours. Notably, DART was effective in all other cases, detecting both paint thinner and gasoline over a 0- to 16-hour period on cotton and drywall substrates. We conclude that DART sample detection directly from household materials is not simply a matter of vapor pressure; instead, direct DART detection probably dependent on a complex interaction involving adsorption effects or matrix effects on the ionization mechanism of the flammable solvents. We demonstrate and report a potentially simple, powerful, and useful alternative to traditional mass spectrometric analysis.\n
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\n \n\n \n \n \n \n \n \n Characterization of “Yaa Chud” Medicine on the Thailand–Myanmar Border: Selecting for Drug-resistant Malaria and Threatening Public Health.\n \n \n \n \n\n\n \n Newton, P. N.; Hampton, C. Y.; Alter-Hall, K.; Teerwarakulpana, T.; Prakongpan, S.; Ruangveerayuth, R.; White, N. J.; Day, N. P. J.; Tudino, M. B.; Mancuso, N.; and Fernández, F. M.\n\n\n \n\n\n\n The American Journal of Tropical Medicine and Hygiene, 79(5): 662 –669. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{newton_characterization_2008,\n\ttitle = {Characterization of “{Yaa} {Chud}” {Medicine} on the {Thailand}–{Myanmar} {Border}: {Selecting} for {Drug}-resistant {Malaria} and {Threatening} {Public} {Health}},\n\tvolume = {79},\n\turl = {http://www.ajtmh.org/content/79/5/662.abstract},\n\tabstract = {Multidrug-resistant Plasmodium falciparum malaria is a severe public health problem on the Thailand–Myanmar border. Many villagers buy packets of 4–5 mixed medicines (“yaa chud”) from shops without medical assessment as their first-line malaria treatment. In 2000–2001 a local researcher purchased 50 yaa chud from 44 shops around Mae Sot, Thailand and Myawaddy, Myanmar (Burma), for his wife who was said to be pregnant with fever and drowsiness. The tablets/capsules were provisionally identified by appearance and active ingredients determined in a subset by using mass and atomic spectrometry. The most frequently detected active ingredients were acetaminophen (22\\%), chlorpheniramine (13.4\\%), chloroquine (12.6\\%), tetracycline/doxycycline (11.4\\%), and quinine (5.1\\%). Only seven bags contained potentially curative medicine for malaria. A total of 82\\% of the bags contained medicines contraindicated in pregnancy. Inappropriate, ineffective antimalarial drugs on the Thailand–Myanmar border are likely to increase malaria morbidity, mortality and health costs and engender the emergence and spread of antimalarial drug resistance.},\n\tnumber = {5},\n\tjournal = {The American Journal of Tropical Medicine and Hygiene},\n\tauthor = {Newton, Paul N. and Hampton, Christina Y. and Alter-Hall, Krystyn and Teerwarakulpana, Thanongsak and Prakongpan, Sompol and Ruangveerayuth, Ronnatrai and White, Nicholas J. and Day, Nicholas P. J. and Tudino, Mabel B. and Mancuso, Natalia and Fernández, Facundo M.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {662 --669},\n}\n\n\n\n
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\n Multidrug-resistant Plasmodium falciparum malaria is a severe public health problem on the Thailand–Myanmar border. Many villagers buy packets of 4–5 mixed medicines (“yaa chud”) from shops without medical assessment as their first-line malaria treatment. In 2000–2001 a local researcher purchased 50 yaa chud from 44 shops around Mae Sot, Thailand and Myawaddy, Myanmar (Burma), for his wife who was said to be pregnant with fever and drowsiness. The tablets/capsules were provisionally identified by appearance and active ingredients determined in a subset by using mass and atomic spectrometry. The most frequently detected active ingredients were acetaminophen (22%), chlorpheniramine (13.4%), chloroquine (12.6%), tetracycline/doxycycline (11.4%), and quinine (5.1%). Only seven bags contained potentially curative medicine for malaria. A total of 82% of the bags contained medicines contraindicated in pregnancy. Inappropriate, ineffective antimalarial drugs on the Thailand–Myanmar border are likely to increase malaria morbidity, mortality and health costs and engender the emergence and spread of antimalarial drug resistance.\n
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\n \n\n \n \n \n \n \n Prevalence and Detection of Counterfeit Pharmaceuticals: A Mini Review.\n \n \n \n\n\n \n Fernandez, F. M.; Green, M. D.; and Newton, P. N.\n\n\n \n\n\n\n Ind. Eng. Chem. Res., 47(3): 585–590. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{fernandez_prevalence_2008,\n\ttitle = {Prevalence and {Detection} of {Counterfeit} {Pharmaceuticals}: {A} {Mini} {Review}},\n\tvolume = {47},\n\tissn = {0888-5885},\n\tabstract = {Counterfeit drugs are a widespread, important public health problem. This mini review reports on the current status of the issue of drug counterfeiting, with special emphasis on our findings on counterfeit anti-infectives, and the new detection tools being developed to identify and characterize fake drugs.},\n\tnumber = {3},\n\tjournal = {Ind. Eng. Chem. Res.},\n\tauthor = {Fernandez, F. M. and Green, M. D. and Newton, P. N.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {585--590},\n}\n\n\n\n
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\n Counterfeit drugs are a widespread, important public health problem. This mini review reports on the current status of the issue of drug counterfeiting, with special emphasis on our findings on counterfeit anti-infectives, and the new detection tools being developed to identify and characterize fake drugs.\n
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\n \n\n \n \n \n \n \n \n Planar Chromatography - Back to the future?.\n \n \n \n \n\n\n \n Morlock, G.; and Schwack, W.\n\n\n \n\n\n\n LC/GC Europe, (21): 366–371. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"PlanarPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{morlock_planar_2008,\n\ttitle = {Planar {Chromatography} - {Back} to the future?},\n\turl = {http://chromatographyonline.findanalytichem.com/lcgc/article/articleDetail.jsp?id=531582&pageID=1&sk=&date=},\n\tabstract = {The importance of planar chromatography, particularly thin layer chromatography (TLC), is vastly underestimated. This article highlights\nthe unique attributes of high performance thin layer chromatography (HPTLC) compared with rival column techniques. Two advanced\napplications in planar chromatography are described to illustrate the potential of this technique: bioactivity-based detection and coupling\nwith mass spectrometry (MS).},\n\tnumber = {21},\n\tjournal = {LC/GC Europe},\n\tauthor = {Morlock, G. and Schwack, W.},\n\tyear = {2008},\n\tkeywords = {Thermo LTQ},\n\tpages = {366--371},\n}\n\n\n\n
\n
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\n The importance of planar chromatography, particularly thin layer chromatography (TLC), is vastly underestimated. This article highlights the unique attributes of high performance thin layer chromatography (HPTLC) compared with rival column techniques. Two advanced applications in planar chromatography are described to illustrate the potential of this technique: bioactivity-based detection and coupling with mass spectrometry (MS).\n
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\n \n\n \n \n \n \n \n Expression of tropane alkaloids in the hairy root culture of Atropa acuminata substantiated by DART mass spectrometric technique.\n \n \n \n\n\n \n Banerjee, S.; Madhusudanan, K. P.; Chattopadhyay, S. K.; Rahman, L. U.; and Khanuja, S. P. S.\n\n\n \n\n\n\n Biomedical Chromatography, 22(8): 830–834. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{banerjee_expression_2008,\n\ttitle = {Expression of tropane alkaloids in the hairy root culture of {Atropa} acuminata substantiated by {DART} mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {Agrobacterium rhizogenes-mediated hairy root cultures were established in Atropa acuminata. The chemical profiling of the hairy roots was carried out by a new mass spectrometric technique, direct analysis in real time (DART). The intact hairy roots were directly analyzed by holding them in the gap between the DART ion source and mass spectrometer. Two alkaloids, atropine and scopolamine, were characterized. The structural confirmation of the two alkaloids was made through their accurate molecular formula determinations. This is the first report of establishing hairy roots in A. acuminata as well as application of the DART technique for the chemical profiling of its hairy roots.},\n\tnumber = {8},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Banerjee, Suchitra and Madhusudanan, K. P. and Chattopadhyay, Sunil K. and Rahman, Laiq Ur and Khanuja, Suman P. S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {830--834},\n}\n\n\n\n
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\n Agrobacterium rhizogenes-mediated hairy root cultures were established in Atropa acuminata. The chemical profiling of the hairy roots was carried out by a new mass spectrometric technique, direct analysis in real time (DART). The intact hairy roots were directly analyzed by holding them in the gap between the DART ion source and mass spectrometer. Two alkaloids, atropine and scopolamine, were characterized. The structural confirmation of the two alkaloids was made through their accurate molecular formula determinations. This is the first report of establishing hairy roots in A. acuminata as well as application of the DART technique for the chemical profiling of its hairy roots.\n
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\n \n\n \n \n \n \n \n Pharmacokinetic analysis of anti-allergy and anti-inflammation bioactives in a nettle (Urtica dioica) extract.\n \n \n \n\n\n \n Ayers, S.; Roschek, B. J.; Williams, J.; and Alberte, R.\n\n\n \n\n\n\n Online Journal of Pharmacology and PharmacoKinetics, 5: 6–21. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{ayers_pharmacokinetic_2008,\n\ttitle = {Pharmacokinetic analysis of anti-allergy and anti-inflammation bioactives in a nettle ({Urtica} dioica) extract.},\n\tvolume = {5},\n\tabstract = {Pharmacokinetic analyses were conducted using DART TOF-MS on the uptake of bioactive components present in a nettle (Urtica dioica) extract delivered orally as a lozenge. Previously adenine, synephrine, osthole, and nicotinamide were shown to be key bioactives contributing to the anti-inflammatory and anti-allergy properties of the nettle extract (Roschek et al, 2009). Average serum concentrations of adenine reached 35.2 nmol L-1, nicotinamide reached 8.7 nmol L-1, osthole reached 11.0 nmol L-1, and synephrine reached 107.4 nmol L-1. These serum levels are equivalent to 0.3\\%, 0.2\\%, 0.2\\%, and 1.6\\% oral bioavailability for adenine, synephrine, osthole and nicotinamide respectively. Urine concentrations for adenine, nicotinamide, synephrine, and osthole reached 4.9 nmol L-1, 2.5 nmol L-1, 6.6 nmol L-1, and 0.2 nmol L-1, respectively. The major pharmacokinetic parameters (Cmax, Tmax, T1/2) were determined and compared for serum and urine. For all three of the compounds, Cmax values decreased 2- to 16-fold in urine compared to serum, Tmax values increased 2- to 12-fold, and T1/2 values increased 2- to 10-fold. Molecular modeling revealed that these compounds were not likely to cross the blood-brain barrier, particularly important for the anti-histamine bioactives to ensure a non-drowsy activity. These results show that antiinflammatory and anti-allergenic compounds in nettle are readily absorbed into the body and excreted in the urine when a nettle extract is delivered orally as a lozenge. In addition, DART TOF-MS is useful in quantifying multiple components in biological matrices with little or no sample preparation.},\n\tjournal = {Online Journal of Pharmacology and PharmacoKinetics},\n\tauthor = {Ayers, S. and Roschek, B. Jr and Williams, J.M. and Alberte, R.S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {6--21},\n}\n\n\n\n
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\n Pharmacokinetic analyses were conducted using DART TOF-MS on the uptake of bioactive components present in a nettle (Urtica dioica) extract delivered orally as a lozenge. Previously adenine, synephrine, osthole, and nicotinamide were shown to be key bioactives contributing to the anti-inflammatory and anti-allergy properties of the nettle extract (Roschek et al, 2009). Average serum concentrations of adenine reached 35.2 nmol L-1, nicotinamide reached 8.7 nmol L-1, osthole reached 11.0 nmol L-1, and synephrine reached 107.4 nmol L-1. These serum levels are equivalent to 0.3%, 0.2%, 0.2%, and 1.6% oral bioavailability for adenine, synephrine, osthole and nicotinamide respectively. Urine concentrations for adenine, nicotinamide, synephrine, and osthole reached 4.9 nmol L-1, 2.5 nmol L-1, 6.6 nmol L-1, and 0.2 nmol L-1, respectively. The major pharmacokinetic parameters (Cmax, Tmax, T1/2) were determined and compared for serum and urine. For all three of the compounds, Cmax values decreased 2- to 16-fold in urine compared to serum, Tmax values increased 2- to 12-fold, and T1/2 values increased 2- to 10-fold. Molecular modeling revealed that these compounds were not likely to cross the blood-brain barrier, particularly important for the anti-histamine bioactives to ensure a non-drowsy activity. These results show that antiinflammatory and anti-allergenic compounds in nettle are readily absorbed into the body and excreted in the urine when a nettle extract is delivered orally as a lozenge. In addition, DART TOF-MS is useful in quantifying multiple components in biological matrices with little or no sample preparation.\n
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\n \n\n \n \n \n \n \n An Integrated Wipe Sample Transport/Autosampler to Maximize Throughput for a Direct Analysis in Real Time (DART)/Orthogonal Acceleration, Time-of-Flight Mass Spectrometer (oa-TOFMS).\n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Environmental Forensics, 9(2): 137 – 143. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_integrated_2008,\n\ttitle = {An {Integrated} {Wipe} {Sample} {Transport}/{Autosampler} to {Maximize} {Throughput} for a {Direct} {Analysis} in {Real} {Time} ({DART})/{Orthogonal} {Acceleration}, {Time}-of-{Flight} {Mass} {Spectrometer} (oa-{TOFMS})},\n\tvolume = {9},\n\tissn = {1527-5922},\n\tabstract = {A wipe sample transport was designed and built to meet two objectives: to simplify collection, storage, and transport of cotton swab wipe samples and to provide a sample train of 72 wipe samples nearly ready for analysis when the swabs reach the laboratory. The cotton swabs are mounted on an Al rod that is the sample support for an autosampler used to perform direct analysis in real time (DART)/orthogonal acceleration, time-of-flight mass spectrometry (oa-TOFMS) analyses. The goal is for one analyst to analyze 1000 wipe samples mounted on 14 Al rods in one 8-h shift.},\n\tnumber = {2},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, Andrew H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {137 -- 143},\n}\n\n\n\n
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\n A wipe sample transport was designed and built to meet two objectives: to simplify collection, storage, and transport of cotton swab wipe samples and to provide a sample train of 72 wipe samples nearly ready for analysis when the swabs reach the laboratory. The cotton swabs are mounted on an Al rod that is the sample support for an autosampler used to perform direct analysis in real time (DART)/orthogonal acceleration, time-of-flight mass spectrometry (oa-TOFMS) analyses. The goal is for one analyst to analyze 1000 wipe samples mounted on 14 Al rods in one 8-h shift.\n
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\n \n\n \n \n \n \n \n \n Analysis of Deoxynivalenol in Beer.\n \n \n \n \n\n\n \n Hajslova, J.; Vaclavik, L.; Cajka, T.; Poustka, J.; and Schurek, J.\n\n\n \n\n\n\n 2008.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@misc{hajslova_analysis_2008,\n\ttitle = {Analysis of {Deoxynivalenol} in {Beer}},\n\turl = {http://chromatographyonline.findanalytichem.com/lcgc/Articles/Analysis-of-Deoxynivalenol-in-Beer/ArticleStandard/Article/detail/547873},\n\tjournal = {LCGC: Chromatography Online},\n\tauthor = {Hajslova, Jana and Vaclavik, Lukas and Cajka, Tomas and Poustka, Jan and Schurek, Jakub},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Analytical Strategy for Rapid Identification and Quantification of Lubricant Additives in Mineral Oil by High-Performance Thin-Layer Chromatography with UV Absorption and Fluorescence Detection Combined with Mass Spectrometry and Infrared Spectroscopy.\n \n \n \n\n\n \n Dytkiewitz, E.; and Morlock, G. E.\n\n\n \n\n\n\n Journal of AOAC International, 91(5): 1237–1244. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{dytkiewitz_analytical_2008,\n\ttitle = {Analytical {Strategy} for {Rapid} {Identification} and {Quantification} of {Lubricant} {Additives} in {Mineral} {Oil} by {High}-{Performance} {Thin}-{Layer} {Chromatography} with {UV} {Absorption} and {Fluorescence} {Detection} {Combined} with {Mass} {Spectrometry} and {Infrared} {Spectroscopy}},\n\tvolume = {91},\n\tabstract = {A simple strategy for identification and quantification of lubricant additives in mineral oil was demonstrated by high-performance thin-layer chromatography with UV absorption and fluorescence detection using various coupling options, e.g., with attenuated total reflectance infrared (ATR-IR) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, electrospray ionization mass spectrometry (ESI-MS), and direct analysis in real-time mass spectrometry (DART-MS). For the additives zinc bis(O,O'-diisobutyl dithiophosphate), zinc bis(O,O'-didodecyl dithiophosphate), and Anglamol 99®, 2 chromatographic systems were developed, i.e., a reversed-phase (RP) system on RP2 plates using an acetonitrile-based mobile phase and a normal-phase system on silica gel 60 plates using a toluene-based gradient. Densitometry was performed by absorption measurement at 220 nm. Repeatabilities (relative standard deviation, n = 6) between 2.2 and 5.5\\% and correlation coefficients {\\textgreater}0.9973 were highly satisfactory for the analysis of these additives in the mineral oil. Primuline reagent was used to improve the detection limit of the lipophilic additives by a factor of 2, followed by fluorescence measurement at UV 366/{\\textgreater}400 nm. For rapid identification by ATR-IR and FTIR, the respective additive zones on the plate were online extracted by an interface called ChromeXtract, concentrated, and directly applied for measurements in the wave number range of 4000–400 cm−1. Identification was confirmed by online ESI-MS within a minute using ChromeXtract and by DART-MS within seconds.},\n\tnumber = {5},\n\tjournal = {Journal of AOAC International},\n\tauthor = {Dytkiewitz, Elisabeth and Morlock, Gertrud E.},\n\tyear = {2008},\n\tkeywords = {Agilent Quad},\n\tpages = {1237--1244},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n A simple strategy for identification and quantification of lubricant additives in mineral oil was demonstrated by high-performance thin-layer chromatography with UV absorption and fluorescence detection using various coupling options, e.g., with attenuated total reflectance infrared (ATR-IR) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, electrospray ionization mass spectrometry (ESI-MS), and direct analysis in real-time mass spectrometry (DART-MS). For the additives zinc bis(O,O'-diisobutyl dithiophosphate), zinc bis(O,O'-didodecyl dithiophosphate), and Anglamol 99®, 2 chromatographic systems were developed, i.e., a reversed-phase (RP) system on RP2 plates using an acetonitrile-based mobile phase and a normal-phase system on silica gel 60 plates using a toluene-based gradient. Densitometry was performed by absorption measurement at 220 nm. Repeatabilities (relative standard deviation, n = 6) between 2.2 and 5.5% and correlation coefficients \\textgreater0.9973 were highly satisfactory for the analysis of these additives in the mineral oil. Primuline reagent was used to improve the detection limit of the lipophilic additives by a factor of 2, followed by fluorescence measurement at UV 366/\\textgreater400 nm. For rapid identification by ATR-IR and FTIR, the respective additive zones on the plate were online extracted by an interface called ChromeXtract, concentrated, and directly applied for measurements in the wave number range of 4000–400 cm−1. Identification was confirmed by online ESI-MS within a minute using ChromeXtract and by DART-MS within seconds.\n
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\n \n\n \n \n \n \n \n Implementation of DART and DESI Ionization on a Fieldable Mass Spectrometer.\n \n \n \n\n\n \n Wells, J. M.; Roth, M. J.; Keil, A. D.; Grossenbacher, J. W.; Justes, D. R.; Patterson, G. E.; and Barket Jr., D. J.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 19(10): 1419–1424. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{wells_implementation_2008,\n\ttitle = {Implementation of {DART} and {DESI} {Ionization} on a {Fieldable} {Mass} {Spectrometer}},\n\tvolume = {19},\n\tdoi = {10.1016/j.jasms.2008.06.028},\n\tabstract = {A recently developed prototype mobile laboratory mass spectrometer, incorporating an atmospheric pressure ionization (API) interface, is described. This system takes advantage of the small size, lower voltage requirements, and tandem MS abilities of the cylindrical ion trap mass analyzer. The prototype API MS uses small, low-power pumps to fit into a 0.1-m3 self-contained package weighing less than 45 kg. This instrument has been adapted to allow rapid interfacing to electrospray ionization, desorption electrospray ionization, and direct analysis in real-time sources. Initial data indicate that these techniques provide rapid detection and identification of compounds for quality control, homeland security, and forensic applications. In addition, this instrument is self-contained and compact, making it ideally extensible to mobile laboratory and field analyses. Initial MS and MS/MS data for analyses of drugs, food, and explosives are presented herein.},\n\tnumber = {10},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Wells, J. Mitchell and Roth, Michael J. and Keil, Adam D. and Grossenbacher, John W. and Justes, Dina R. and Patterson, Garth E. and Barket Jr., Dennis J.},\n\tyear = {2008},\n\tkeywords = {Griffin},\n\tpages = {1419--1424},\n}\n\n\n\n
\n
\n\n\n
\n A recently developed prototype mobile laboratory mass spectrometer, incorporating an atmospheric pressure ionization (API) interface, is described. This system takes advantage of the small size, lower voltage requirements, and tandem MS abilities of the cylindrical ion trap mass analyzer. The prototype API MS uses small, low-power pumps to fit into a 0.1-m3 self-contained package weighing less than 45 kg. This instrument has been adapted to allow rapid interfacing to electrospray ionization, desorption electrospray ionization, and direct analysis in real-time sources. Initial data indicate that these techniques provide rapid detection and identification of compounds for quality control, homeland security, and forensic applications. In addition, this instrument is self-contained and compact, making it ideally extensible to mobile laboratory and field analyses. Initial MS and MS/MS data for analyses of drugs, food, and explosives are presented herein.\n
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\n \n\n \n \n \n \n \n An Inexpensive Autosampler to Maximize Throughput for an Ion Source that Samples Surfaces in Open Air.\n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Environmental Forensics, 9(2): 127–136. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_inexpensive_2008,\n\ttitle = {An {Inexpensive} {Autosampler} to {Maximize} {Throughput} for an {Ion} {Source} that {Samples} {Surfaces} in {Open} {Air}},\n\tvolume = {9},\n\tissn = {1527-5922},\n\tabstract = {Rapid analysis of hundreds of wipe samples after a chemical dispersion event is essential for quickly characterizing the hazard posed to the public. An autosampler was built to pull 76 cotton swabs mounted along a 91-cm (3-foot) long, square aluminum rod in open air, through the ionizing beam of a direct analysis in real time (DART) ion source interfaced to a time-of-flight mass spectrometer. The rod and swabs mounted on N-scale model railroad flat cars were pulled through the ion source in 7.5 min by a 7-rpm motor. Percent relative standard deviations (\\%RSDs) of 18.5\\% to 21.3\\% were obtained for the chromatographic peak areas of the protonated molecule. Maximum-to-minimum ratios of the areas were between 2.22 and 2.71. Measured exact masses of analyte ions were always accurate to within 1 mDa.},\n\tnumber = {2},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, Andrew H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {127--136},\n}\n\n\n\n
\n
\n\n\n
\n Rapid analysis of hundreds of wipe samples after a chemical dispersion event is essential for quickly characterizing the hazard posed to the public. An autosampler was built to pull 76 cotton swabs mounted along a 91-cm (3-foot) long, square aluminum rod in open air, through the ionizing beam of a direct analysis in real time (DART) ion source interfaced to a time-of-flight mass spectrometer. The rod and swabs mounted on N-scale model railroad flat cars were pulled through the ion source in 7.5 min by a 7-rpm motor. Percent relative standard deviations (%RSDs) of 18.5% to 21.3% were obtained for the chromatographic peak areas of the protonated molecule. Maximum-to-minimum ratios of the areas were between 2.22 and 2.71. Measured exact masses of analyte ions were always accurate to within 1 mDa.\n
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\n \n\n \n \n \n \n \n \n Rapid and sensitive determination of acrylamide in drinking water by planar chromatography and fluorescence detection after derivatization with dansulfinic acid.\n \n \n \n \n\n\n \n Alpmann, A.; and Morlock, G.\n\n\n \n\n\n\n Journal of Separation Science, 31(1): 71–77. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{alpmann_rapid_2008,\n\ttitle = {Rapid and sensitive determination of acrylamide in drinking water by planar chromatography and fluorescence detection after derivatization with dansulfinic acid},\n\tvolume = {31},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.200700391},\n\tabstract = {On the basis of a novel derivatization, a new planar chromatographic method has been developed for the determination of acrylamide (AA) in drinking water at the ultra-trace level. After SPE, the water extracts were oversprayed on a high-performance thin-layer chromatography (HPTLC) silica gel plate with the derivatization agent dansulfinic acid and derivatized in situ. Chromatography was performed with ethyl acetate and the fluorescent product was quantified at 366/{\\textgreater}400 nm. Verification was based on HPTLC-ESI/MS, HPTLC-direct analysis in real-time (DART)-TOF/MS and NMR. The routine HPTLC-fluorescence detection (FLD) method was validated for spiked drinking water. The regression analysis was linear (r {\\textgreater}0.9918) in the range of 0.1-0.4 mug/L. LOD was calculated to be 0.025 mug/L and experimentally proved for spiked samples at levels down to 0.05 mug/L (S/N = 6) which was suited for monitoring the EU limit value of 0.1 mug/L in drinking water (0.5 mug/L demanded by World Health Organization (WHO)/US Environmental Protection Agency (EPA)). Within-run precision and the mean between-run precision (RSD, n = 3, three concentration levels each) were evaluated to be 4.8 and 11.0\\%, respectively. The mean recovery (0.1, 0.2, and 0.3 mug/L) was 96\\% corrected by the internal standard. The method, in comparison with HPLC-MS/MS showed comparable results and demonstrated the accuracy of the method.},\n\tnumber = {1},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Alpmann, Alexander and Morlock, Gertrud},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {71--77},\n}\n\n\n\n
\n
\n\n\n
\n On the basis of a novel derivatization, a new planar chromatographic method has been developed for the determination of acrylamide (AA) in drinking water at the ultra-trace level. After SPE, the water extracts were oversprayed on a high-performance thin-layer chromatography (HPTLC) silica gel plate with the derivatization agent dansulfinic acid and derivatized in situ. Chromatography was performed with ethyl acetate and the fluorescent product was quantified at 366/\\textgreater400 nm. Verification was based on HPTLC-ESI/MS, HPTLC-direct analysis in real-time (DART)-TOF/MS and NMR. The routine HPTLC-fluorescence detection (FLD) method was validated for spiked drinking water. The regression analysis was linear (r \\textgreater0.9918) in the range of 0.1-0.4 mug/L. LOD was calculated to be 0.025 mug/L and experimentally proved for spiked samples at levels down to 0.05 mug/L (S/N = 6) which was suited for monitoring the EU limit value of 0.1 mug/L in drinking water (0.5 mug/L demanded by World Health Organization (WHO)/US Environmental Protection Agency (EPA)). Within-run precision and the mean between-run precision (RSD, n = 3, three concentration levels each) were evaluated to be 4.8 and 11.0%, respectively. The mean recovery (0.1, 0.2, and 0.3 mug/L) was 96% corrected by the internal standard. The method, in comparison with HPLC-MS/MS showed comparable results and demonstrated the accuracy of the method.\n
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\n \n\n \n \n \n \n \n Analysis of cell cultures of Taxus wallichiana using direct analysis in real-time mass spectrometric technique.\n \n \n \n\n\n \n Banerjee, S.; Madhusudanan, K. P.; Khanuja, S. P. S.; and Chattopadhyay, S. K.\n\n\n \n\n\n\n Biomedical Chromatography, 22(3): 250–253. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{banerjee_analysis_2008,\n\ttitle = {Analysis of cell cultures of {Taxus} wallichiana using direct analysis in real-time mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the calli of Taxus wallichiana. The intact callus samples were directly analyzed by holding them in the gap between the DART source and mass spectrometer for measurements. Five C-14 oxygenated taxoids were characterized from the analysis of the calli of the Taxus wallichiana almost instantaneously. The confirmation of the structures of the identified taxoids was made through their accurate molecular formula determinations.},\n\tnumber = {3},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Banerjee, Suchitra and Madhusudanan, K. P. and Khanuja, Suman P. S. and Chattopadhyay, Sunil K.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {250--253},\n}\n\n\n\n
\n
\n\n\n
\n The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the calli of Taxus wallichiana. The intact callus samples were directly analyzed by holding them in the gap between the DART source and mass spectrometer for measurements. Five C-14 oxygenated taxoids were characterized from the analysis of the calli of the Taxus wallichiana almost instantaneously. The confirmation of the structures of the identified taxoids was made through their accurate molecular formula determinations.\n
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\n \n\n \n \n \n \n \n A Collaborative Epidemiological Investigation into the Criminal Fake Artesunate Trade in South East Asia.\n \n \n \n\n\n \n Newton, P. N.; Fernandez, F. M.; Plancon, A.; Mildenhall, D. C.; Green, M. D.; Ziyong, L.; Christophel, E. M.; Phanouvong, S.; Howells, S.; McIntosh, E.; Laurin, P.; Blum, N.; Hampton, C. Y.; Faure, K.; Nyadong, L.; Soong, C. W. R.; Santoso, B.; Zhiguang, W.; Newton, J.; and Palmer, K.\n\n\n \n\n\n\n PLoS Medicine, 5(2): e32. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{newton_collaborative_2008,\n\ttitle = {A {Collaborative} {Epidemiological} {Investigation} into the {Criminal} {Fake} {Artesunate} {Trade} in {South} {East} {Asia}},\n\tvolume = {5},\n\tabstract = {BackgroundSince 1998 the serious public health problem in South East Asia of counterfeit artesunate, containing no or subtherapeutic amounts of the active antimalarial ingredient, has led to deaths from untreated malaria, reduced confidence in this vital drug, large economic losses for the legitimate manufacturers, and concerns that artemisinin resistance might be engendered.Methods and FindingsWith evidence of a deteriorating situation, a group of police, criminal analysts, chemists, palynologists, and health workers collaborated to determine the source of these counterfeits under the auspices of the International Criminal Police Organization (INTERPOL) and the Western Pacific World Health Organization Regional Office. A total of 391 samples of genuine and counterfeit artesunate collected in Vietnam (75), Cambodia (48), Lao PDR (115), Myanmar (Burma) (137) and the Thai/Myanmar border (16), were available for analysis. Sixteen different fake hologram types were identified. High-performance liquid chromatography and/or mass spectrometry confirmed that all specimens thought to be counterfeit (195/391, 49.9\\%) on the basis of packaging contained no or small quantities of artesunate (up to 12 mg per tablet as opposed to ∼ 50 mg per genuine tablet). Chemical analysis demonstrated a wide diversity of wrong active ingredients, including banned pharmaceuticals, such as metamizole, and safrole, a carcinogen, and raw material for manufacture of methylenedioxymethamphetamine (‘ecstasy'). Evidence from chemical, mineralogical, biological, and packaging analysis suggested that at least some of the counterfeits were manufactured in southeast People's Republic of China. This evidence prompted the Chinese Government to act quickly against the criminal traders with arrests and seizures.ConclusionsAn international multi-disciplinary group obtained evidence that some of the counterfeit artesunate was manufactured in China, and this prompted a criminal investigation. International cross-disciplinary collaborations may be appropriate in the investigation of other serious counterfeit medicine public health problems elsewhere, but strengthening of international collaborations and forensic and drug regulatory authority capacity will be required.},\n\tnumber = {2},\n\tjournal = {PLoS Medicine},\n\tauthor = {Newton, Paul N. and Fernandez, Facundo M. and Plancon, Aline and Mildenhall, Dallas C. and Green, Michael D. and Ziyong, Li and Christophel, Eva Maria and Phanouvong, Souly and Howells, Stephen and McIntosh, Eric and Laurin, Paul and Blum, Nancy and Hampton, Christina Y. and Faure, Kevin and Nyadong, Leonard and Soong, C. W. Ray and Santoso, Budiono and Zhiguang, Wang and Newton, John and Palmer, Kevin},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {e32},\n}\n\n\n\n
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\n BackgroundSince 1998 the serious public health problem in South East Asia of counterfeit artesunate, containing no or subtherapeutic amounts of the active antimalarial ingredient, has led to deaths from untreated malaria, reduced confidence in this vital drug, large economic losses for the legitimate manufacturers, and concerns that artemisinin resistance might be engendered.Methods and FindingsWith evidence of a deteriorating situation, a group of police, criminal analysts, chemists, palynologists, and health workers collaborated to determine the source of these counterfeits under the auspices of the International Criminal Police Organization (INTERPOL) and the Western Pacific World Health Organization Regional Office. A total of 391 samples of genuine and counterfeit artesunate collected in Vietnam (75), Cambodia (48), Lao PDR (115), Myanmar (Burma) (137) and the Thai/Myanmar border (16), were available for analysis. Sixteen different fake hologram types were identified. High-performance liquid chromatography and/or mass spectrometry confirmed that all specimens thought to be counterfeit (195/391, 49.9%) on the basis of packaging contained no or small quantities of artesunate (up to 12 mg per tablet as opposed to ∼ 50 mg per genuine tablet). Chemical analysis demonstrated a wide diversity of wrong active ingredients, including banned pharmaceuticals, such as metamizole, and safrole, a carcinogen, and raw material for manufacture of methylenedioxymethamphetamine (‘ecstasy'). Evidence from chemical, mineralogical, biological, and packaging analysis suggested that at least some of the counterfeits were manufactured in southeast People's Republic of China. This evidence prompted the Chinese Government to act quickly against the criminal traders with arrests and seizures.ConclusionsAn international multi-disciplinary group obtained evidence that some of the counterfeit artesunate was manufactured in China, and this prompted a criminal investigation. International cross-disciplinary collaborations may be appropriate in the investigation of other serious counterfeit medicine public health problems elsewhere, but strengthening of international collaborations and forensic and drug regulatory authority capacity will be required.\n
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\n \n\n \n \n \n \n \n Direct analysis in real time–time-of-flight mass spectrometry: Analysis of pesticide residues and environmental contaminants.\n \n \n \n\n\n \n Vaclavik, L.; Schurek, J.; Cajka, T.; and Hajslova, J.\n\n\n \n\n\n\n Chemicke Listy, 102: s324–s327. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{vaclavik_direct_2008,\n\ttitle = {Direct analysis in real time–time-of-flight mass spectrometry: {Analysis} of pesticide residues and environmental contaminants.},\n\tvolume = {102},\n\tjournal = {Chemicke Listy},\n\tauthor = {Vaclavik, L. and Schurek, J. and Cajka, T. and Hajslova, J.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {s324--s327},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n DART–TOFMS: A Challenging Approach in Rapid Monitoring of Brominated Flame Retardants in Environmental Matrices.\n \n \n \n\n\n \n Hajslova, J.; Vaclavik, L.; Pulkrabova, J.; Poustka, J.; and Cajka, T.\n\n\n \n\n\n\n Organohalogen Compounds, 70: 922–925. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{hajslova_darttofms:_2008,\n\ttitle = {{DART}–{TOFMS}: {A} {Challenging} {Approach} in {Rapid} {Monitoring} of {Brominated} {Flame} {Retardants} in {Environmental} {Matrices}},\n\tvolume = {70},\n\tjournal = {Organohalogen Compounds},\n\tauthor = {Hajslova, J. and Vaclavik, L. and Pulkrabova, J. and Poustka, J. and Cajka, T.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {922--925},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Recent developments in ambient ionization techniques for analytical mass spectrometry.\n \n \n \n\n\n \n Harris, G. A.; Nyadong, L.; and Fernandez, F. M.\n\n\n \n\n\n\n Analyst, 133: 1297–1301. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{harris_recent_2008,\n\ttitle = {Recent developments in ambient ionization techniques for analytical mass spectrometry},\n\tvolume = {133},\n\tdoi = {DOI: 10.1039/b806810k},\n\tabstract = {Ambient ionization techniques enable the interrogation of a variety of samples in their native state by mass spectrometry, and are rapidly advancing all fields where screening for the presence of various analytes in a broadband and/or high-throughput fashion is desirable. This Highlight article provides an introduction to the field, and showcases the different ionization approaches reported since 2004, with an emphasis on themost recent developments.},\n\tjournal = {Analyst},\n\tauthor = {Harris, Glenn A. and Nyadong, Leonard and Fernandez, Facundo M.},\n\tyear = {2008},\n\tkeywords = {review; AccuTOF},\n\tpages = {1297--1301},\n}\n\n\n\n
\n
\n\n\n
\n Ambient ionization techniques enable the interrogation of a variety of samples in their native state by mass spectrometry, and are rapidly advancing all fields where screening for the presence of various analytes in a broadband and/or high-throughput fashion is desirable. This Highlight article provides an introduction to the field, and showcases the different ionization approaches reported since 2004, with an emphasis on themost recent developments.\n
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\n \n\n \n \n \n \n \n \n Detection of Chemical Warfare Agents on Surfaces Relevant to Homeland Security by Direct Analysis in Real-Time Spectrometry.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Connell, T.; and Nilles, J.\n\n\n \n\n\n\n American Laboratory, 40: 16–20. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramee_detection_2008,\n\ttitle = {Detection of {Chemical} {Warfare} {Agents} on {Surfaces} {Relevant} to {Homeland} {Security} by {Direct} {Analysis} in {Real}-{Time} {Spectrometry}.},\n\tvolume = {40},\n\turl = {http://www.americanlaboratory.com/913-Technical-Articles/757-Detection-of-Chemical-Warfare-Agents-on-Surfaces-Relevant-to-Homeland-Security-by-Direct-Analysis-in-Real-Time-Spectrometry/},\n\tabstract = {Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents, or that require solvent extraction, DART leaves the sample surface undisturbed.\n\nAnalysis of low-volatility, condensed-phase chemicals on surfaces has been an extremely difficult and long-standing objective in environmental monitoring. When target analytes possess picotorr vapor pressures, the problem of monitoring becomes formidable. As such, any noncontact sampling at atmospheric pressure that does not require solvents or wipes would be a technological breakthrough. In addition, the absence of sample preparation would allow extremely rapid analysis in time-critical situations. Today, such a technology is now available. It is known as Direct Analysis in Real Time1 or DART™ (JEOL USA, Inc., Peabody, MA).\n\nThe U.S. Army has been testing and developing DART since 2002 for the detection of chemical warfare agents on surfaces. Fast, safe, and accurate detection of chemical agents is critical for protection, security, and decision-making. Sample preparation is seldom a requirement with DART, since the contaminated surface is simply analyzed directly using a plume of gaseous Rydberg atoms. Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents,2 or that require solvent extraction, DART leaves the sample surface undisturbed. This is a forensically worthy advantage. Recent findings of chemical warfare agent detection on militarily relevant surfaces in Homeland Security is a new approach to Warfighter safety and},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D and Connell, T.R. and Nilles, J.M.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {16--20},\n}\n\n\n\n
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\n Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents, or that require solvent extraction, DART leaves the sample surface undisturbed. Analysis of low-volatility, condensed-phase chemicals on surfaces has been an extremely difficult and long-standing objective in environmental monitoring. When target analytes possess picotorr vapor pressures, the problem of monitoring becomes formidable. As such, any noncontact sampling at atmospheric pressure that does not require solvents or wipes would be a technological breakthrough. In addition, the absence of sample preparation would allow extremely rapid analysis in time-critical situations. Today, such a technology is now available. It is known as Direct Analysis in Real Time1 or DART™ (JEOL USA, Inc., Peabody, MA). The U.S. Army has been testing and developing DART since 2002 for the detection of chemical warfare agents on surfaces. Fast, safe, and accurate detection of chemical agents is critical for protection, security, and decision-making. Sample preparation is seldom a requirement with DART, since the contaminated surface is simply analyzed directly using a plume of gaseous Rydberg atoms. Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents,2 or that require solvent extraction, DART leaves the sample surface undisturbed. This is a forensically worthy advantage. Recent findings of chemical warfare agent detection on militarily relevant surfaces in Homeland Security is a new approach to Warfighter safety and\n
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\n \n\n \n \n \n \n \n Pharmacokinetics of Cyanidin and Anti-Influenza Phytonutrients in an Elder Berry Extract Determined by LC-MS and DART TOF-MS.\n \n \n \n\n\n \n Roschek Jr., B.; and Alberte, R.\n\n\n \n\n\n\n Online Journal of Pharmacology and Pharmacokinetics, 4: 1–17. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{roschek_jr._pharmacokinetics_2008,\n\ttitle = {Pharmacokinetics of {Cyanidin} and {Anti}-{Influenza} {Phytonutrients} in an {Elder} {Berry} {Extract} {Determined} by {LC}-{MS} and {DART} {TOF}-{MS}},\n\tvolume = {4},\n\tjournal = {Online Journal of Pharmacology and Pharmacokinetics},\n\tauthor = {Roschek Jr., B. and Alberte, R.S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {1--17},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n HRMS Directly From TLC Slides. A Powerful Tool for Rapid Analysis of Organic Mixtures.\n \n \n \n\n\n \n Smith, N. J.; Domin, M. A.; and Scott, L. T.\n\n\n \n\n\n\n Organic Letters, 10(16): 3493–3496. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{smith_hrms_2008,\n\ttitle = {{HRMS} {Directly} {From} {TLC} {Slides}. {A} {Powerful} {Tool} for {Rapid} {Analysis} of {Organic} {Mixtures}},\n\tvolume = {10},\n\tissn = {1523-7060},\n\tabstract = {Abstract: High-resolution mass spectra (HRMS) of individual spots on thin-layer chromatography (TLC) slides can now be obtained quickly and easily at atmospheric pressure, with zero sample preparation, using commercially available instrumentation. The method is complementary to GC mass spectrometry but is not limited to compounds of high volatility and high thermal stability. TLC HRMS can be used to monitor chemical reactions in real time and has the capacity thereby to accelerate significantly the pace of synthetic organic chemistry.},\n\tnumber = {16},\n\tjournal = {Organic Letters},\n\tauthor = {Smith, Natalie J. and Domin, Marek A. and Scott, Lawrence T.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {3493--3496},\n}\n\n\n\n
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\n Abstract: High-resolution mass spectra (HRMS) of individual spots on thin-layer chromatography (TLC) slides can now be obtained quickly and easily at atmospheric pressure, with zero sample preparation, using commercially available instrumentation. The method is complementary to GC mass spectrometry but is not limited to compounds of high volatility and high thermal stability. TLC HRMS can be used to monitor chemical reactions in real time and has the capacity thereby to accelerate significantly the pace of synthetic organic chemistry.\n
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\n \n\n \n \n \n \n \n Cuticular hydrocarbon analysis of an awake behaving fly using direct analysis in real-time time-of-flight mass spectrometry.\n \n \n \n\n\n \n Yew, J. Y.; Cody, R. B.; and Kravitz, E. A.\n\n\n \n\n\n\n Proceedings of the National Academy of Sciences, 105(20): 7135–7140. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{yew_cuticular_2008,\n\ttitle = {Cuticular hydrocarbon analysis of an awake behaving fly using direct analysis in real-time time-of-flight mass spectrometry},\n\tvolume = {105},\n\tdoi = {10.1073/pnas.0802692105},\n\tabstract = {In mammals and insects, pheromones strongly influence social behaviors such as aggression and mate recognition. In , pheromones in the form of cuticular hydrocarbons play prominent roles in courtship. GC/MS is the primary analytical tool currently used to study cuticular hydrocarbons. Although GC/MS is highly reproducible and sensitive, it requires that the fly be placed in a lethal solution of organic solvent, thereby impeding further behavioral studies. We present a technique for the analysis of hydrocarbons and other surface molecules from live animals by using direct analysis in real-time (DART) MS. Cuticular hydrocarbons were sampled from the surface of a restrained, awake behaving fly by using several brief, carefully controlled depressions of the abdomen with a small steel probe. DART mass spectral analysis of the probe detected ions with mass-to-charge ratio (/) of the protonated molecule corresponding to many of the previously identified unsaturated hydrocarbons. Six additional cuticular hydrocarbons also were identified. Consistent with previous GC/MS studies, male and female differences in chemical composition were evident. Spatial differences in the expression profile also were observed on males. Sampling from an individual female first as a virgin and then 45 and 90 min after successful copulation showed that mass signals likely to correspond to -vaccenyl acetate, tricosene, and pentacosene increased in relative intensity after courtship. This method provides near-instantaneous analysis of an individual animal's chemical profile in parallel with behavioral studies and could be extended to other models of pheromone-mediated behavior.},\n\tnumber = {20},\n\tjournal = {Proceedings of the National Academy of Sciences},\n\tauthor = {Yew, Joanne Y. and Cody, Robert B. and Kravitz, Edward A.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {7135--7140},\n}\n\n\n\n\n\n\n\n
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\n In mammals and insects, pheromones strongly influence social behaviors such as aggression and mate recognition. In , pheromones in the form of cuticular hydrocarbons play prominent roles in courtship. GC/MS is the primary analytical tool currently used to study cuticular hydrocarbons. Although GC/MS is highly reproducible and sensitive, it requires that the fly be placed in a lethal solution of organic solvent, thereby impeding further behavioral studies. We present a technique for the analysis of hydrocarbons and other surface molecules from live animals by using direct analysis in real-time (DART) MS. Cuticular hydrocarbons were sampled from the surface of a restrained, awake behaving fly by using several brief, carefully controlled depressions of the abdomen with a small steel probe. DART mass spectral analysis of the probe detected ions with mass-to-charge ratio (/) of the protonated molecule corresponding to many of the previously identified unsaturated hydrocarbons. Six additional cuticular hydrocarbons also were identified. Consistent with previous GC/MS studies, male and female differences in chemical composition were evident. Spatial differences in the expression profile also were observed on males. Sampling from an individual female first as a virgin and then 45 and 90 min after successful copulation showed that mass signals likely to correspond to -vaccenyl acetate, tricosene, and pentacosene increased in relative intensity after courtship. This method provides near-instantaneous analysis of an individual animal's chemical profile in parallel with behavioral studies and could be extended to other models of pheromone-mediated behavior.\n
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\n \n\n \n \n \n \n \n Analysis of hairy root culture of Rauvolfia serpentina using direct analysis in real time mass spectrometric technique.\n \n \n \n\n\n \n Madhusudanan, K. P.; Banerjee, S.; Khanuja, S. P. S.; and Chattopadhyay, S. K.\n\n\n \n\n\n\n Biomedical Chromatography, 22(6): 596–600. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{madhusudanan_analysis_2008,\n\ttitle = {Analysis of hairy root culture of {Rauvolfia} serpentina using direct analysis in real time mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the hairy root culture of Rauvolfia serpentina. The intact hairy roots were analyzed by holding them in the gap between the DART source and the mass spectrometer for measurements. Two nitrogen-containing compounds, vomilenine and reserpine, were characterized from the analysis of the hairy roots almost instantaneously. The confirmation of the structures of the identified compounds was made through their accurate molecular formula determinations. This is the first report of the application of DART technique for the characterization of compounds that are expressed in the hairy root cultures of Rauvolfia serpentina. Moreover, this also constitutes the first report of expression of reserpine in the hairy root culture of Rauvolfia serpentina.},\n\tnumber = {6},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Madhusudanan, K. P. and Banerjee, Suchitra and Khanuja, Suman P. S. and Chattopadhyay, Sunil K.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {596--600},\n}\n\n\n\n
\n
\n\n\n
\n The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the hairy root culture of Rauvolfia serpentina. The intact hairy roots were analyzed by holding them in the gap between the DART source and the mass spectrometer for measurements. Two nitrogen-containing compounds, vomilenine and reserpine, were characterized from the analysis of the hairy roots almost instantaneously. The confirmation of the structures of the identified compounds was made through their accurate molecular formula determinations. This is the first report of the application of DART technique for the characterization of compounds that are expressed in the hairy root cultures of Rauvolfia serpentina. Moreover, this also constitutes the first report of expression of reserpine in the hairy root culture of Rauvolfia serpentina.\n
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\n \n\n \n \n \n \n \n Automated determination of precursor ion, product ion, and neutral loss compositions and deconvolution of composite mass spectra using ion correlation based on exact masses and relative isotopic abundances.\n \n \n \n\n\n \n Grange, A. H.; and Sovocool, G. W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 22(15): 2375–2390. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_automated_2008,\n\ttitle = {Automated determination of precursor ion, product ion, and neutral loss compositions and deconvolution of composite mass spectra using ion correlation based on exact masses and relative isotopic abundances},\n\tvolume = {22},\n\tissn = {1097-0231},\n\tabstract = {After an accidental, deliberate, or weather-related dispersion of chemicals (dispersive event), rapid determination of elemental compositions of ions in mass spectra is essential for tentatively identifying compounds. A direct analysis in real time (DART)® ion source interfaced to a JEOL AccuTOF® mass spectrometer provided exact masses accurate to within 2 mDa for most ions in full scan mass spectra and relative isotopic abundances (RIAs) accurate to within 15-20\\% for abundant isotopic ions. To speed determination of the correct composition for precursor ions and most product ions and neutral losses, a three-part software suite was developed. Starting with text files of m/z ratios and their ion abundances from mass spectra acquired at low, moderate, and high collision energies, the ion extraction program (IEP) compiled lists for the most abundant monoisotopic ions of their exact masses and the RIAs of the +1 and +2 isotopic peaks when abundance thresholds were met; precursor ions; and higher-mass, precursor-related species. The ion correlation program (ICP) determined if a precursor ion composition could yield a product ion and corresponding neutral loss compositions for each product ion in turn. The input and output program (IOP) provided the ICP with each precursor ion:product ion pair for multiple sets of error limits and prepared correlation lists for single or multiple precursor ions. The software determined the correct precursor ion compositions for 21 individual standards and for three- and seven-component mixtures. Partial deconvolution of composite mass spectra was achieved based on exact masses and RIAs, rather than on chromatography. Published in 2008 by John Wiley \\& Sons, Ltd.},\n\tnumber = {15},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H. and Sovocool, G. Wayne},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {2375--2390},\n}\n\n\n\n
\n
\n\n\n
\n After an accidental, deliberate, or weather-related dispersion of chemicals (dispersive event), rapid determination of elemental compositions of ions in mass spectra is essential for tentatively identifying compounds. A direct analysis in real time (DART)® ion source interfaced to a JEOL AccuTOF® mass spectrometer provided exact masses accurate to within 2 mDa for most ions in full scan mass spectra and relative isotopic abundances (RIAs) accurate to within 15-20% for abundant isotopic ions. To speed determination of the correct composition for precursor ions and most product ions and neutral losses, a three-part software suite was developed. Starting with text files of m/z ratios and their ion abundances from mass spectra acquired at low, moderate, and high collision energies, the ion extraction program (IEP) compiled lists for the most abundant monoisotopic ions of their exact masses and the RIAs of the +1 and +2 isotopic peaks when abundance thresholds were met; precursor ions; and higher-mass, precursor-related species. The ion correlation program (ICP) determined if a precursor ion composition could yield a product ion and corresponding neutral loss compositions for each product ion in turn. The input and output program (IOP) provided the ICP with each precursor ion:product ion pair for multiple sets of error limits and prepared correlation lists for single or multiple precursor ions. The software determined the correct precursor ion compositions for 21 individual standards and for three- and seven-component mixtures. Partial deconvolution of composite mass spectra was achieved based on exact masses and RIAs, rather than on chromatography. Published in 2008 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n GC–TOF-MS and DART–TOF-MS: Challenges in the Analysis of Soft Drinks.\n \n \n \n\n\n \n Cajka, T.; Vaclavik, L.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n LC/GC Europe, 21(5): 250–256. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cajka_gctof-ms_2008,\n\ttitle = {{GC}–{TOF}-{MS} and {DART}–{TOF}-{MS}: {Challenges} in the {Analysis} of {Soft} {Drinks}.},\n\tvolume = {21},\n\tabstract = {The potential of the time-of-flight mass spectrometry (TOF-MS) to innovate the analysis of soft drinks is described using gas chromatography (GC) hyphenated to TOF-MS and a new type of ion source, direct analysis in real time (DART), coupled to high-resolution TOF-MS. Head-space solid-phase microextraction (SPME) was used to isolate/extract volatile compounds followed by GC–TOF-MS to identify tainted compound in contaminated soft drinks. Direct analysis in real time–time-of-flight mass spectrometry (DART–TOF-MS) was also used to obtain negative and positive ion profiles of different soft drinks to determine the presence of various compounds, including antimicrobial preservatives, artificial sweeteners, acidulants and saccharides, without any sample preparation and chromatographic separation.},\n\tnumber = {5},\n\tjournal = {LC/GC Europe},\n\tauthor = {Cajka, T. and Vaclavik, L. and Riddellova, K. and Hajslova, J.},\n\tyear = {2008},\n\tkeywords = {AccuTOF; GC x GC; Leco Pegasus},\n\tpages = {250--256},\n}\n\n\n\n
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\n The potential of the time-of-flight mass spectrometry (TOF-MS) to innovate the analysis of soft drinks is described using gas chromatography (GC) hyphenated to TOF-MS and a new type of ion source, direct analysis in real time (DART), coupled to high-resolution TOF-MS. Head-space solid-phase microextraction (SPME) was used to isolate/extract volatile compounds followed by GC–TOF-MS to identify tainted compound in contaminated soft drinks. Direct analysis in real time–time-of-flight mass spectrometry (DART–TOF-MS) was also used to obtain negative and positive ion profiles of different soft drinks to determine the presence of various compounds, including antimicrobial preservatives, artificial sweeteners, acidulants and saccharides, without any sample preparation and chromatographic separation.\n
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\n \n\n \n \n \n \n \n An Autosampler and Field Sample Carrier for Maximizing Throughput Using an Open-Air Source for MS.\n \n \n \n\n\n \n Grange, A.\n\n\n \n\n\n\n American Laboratory, 40(16): 11–13. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_autosampler_2008,\n\ttitle = {An {Autosampler} and {Field} {Sample} {Carrier} for {Maximizing} {Throughput} {Using} an {Open}-{Air} {Source} for {MS}},\n\tvolume = {40},\n\tnumber = {16},\n\tjournal = {American Laboratory},\n\tauthor = {Grange, A.H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {11--13},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n Quantification of small molecules in plasma with direct analysis in real time tandem mass spectrometry, without sample preparation and liquid chromatographic separation.\n \n \n \n\n\n \n Zhao, Y.; Lam, M.; Wu, D.; and R., M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 22(20): 3217–3224. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{zhao_quantification_2008,\n\ttitle = {Quantification of small molecules in plasma with direct analysis in real time tandem mass spectrometry, without sample preparation and liquid chromatographic separation.},\n\tvolume = {22},\n\tabstract = {Recently, a new ion source, Direct Analysis in Real Time (DART), has been introduced which allows direct biological sample introduction into a mass spectrometry (MS) system. The elimination of conventionally required sample preparation and separation by high-performance liquid chromatography (HPLC) prior to MS analysis represents a remarkable opportunity to reduce assay turn-around time, environmental impact and capital/manpower investment. This new technology initially was used in various qualitative applications to directly detect chemicals on solid surfaces, in liquids and gases. In this study, a DART source operating under ambient pressure with ground potential was installed onto a Sciex 4000 tandem mass spectrometer and employed in the sample analysis of plasma based on direct introduction into the DART-MS/MS system. Reasonable precision and accuracy (\\%CV and \\%Error, both {\\textless}10\\%) were achieved of a significant number of compounds tested in biological fluids. In addition, the limit of detection for 80\\% of the tested compounds reached 5 ng/mL or lower which is sufficient for pharmaceutical drug discovery support. Finally, experimental conditions that significantly impacted assay performance were investigated with respect to optimization and limitation. Because of its simplicity, fast data acquisition (3-5 s) and low cost, DART has the potential to significantly impact quantitative pharmaceutical analysis in biological matrices.},\n\tnumber = {20},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Zhao, Y. and Lam, M. and Wu, D. and R., Mak},\n\tyear = {2008},\n\tkeywords = {Applied Biosystems Triple Quad},\n\tpages = {3217--3224},\n}\n\n\n\n
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\n Recently, a new ion source, Direct Analysis in Real Time (DART), has been introduced which allows direct biological sample introduction into a mass spectrometry (MS) system. The elimination of conventionally required sample preparation and separation by high-performance liquid chromatography (HPLC) prior to MS analysis represents a remarkable opportunity to reduce assay turn-around time, environmental impact and capital/manpower investment. This new technology initially was used in various qualitative applications to directly detect chemicals on solid surfaces, in liquids and gases. In this study, a DART source operating under ambient pressure with ground potential was installed onto a Sciex 4000 tandem mass spectrometer and employed in the sample analysis of plasma based on direct introduction into the DART-MS/MS system. Reasonable precision and accuracy (%CV and %Error, both \\textless10%) were achieved of a significant number of compounds tested in biological fluids. In addition, the limit of detection for 80% of the tested compounds reached 5 ng/mL or lower which is sufficient for pharmaceutical drug discovery support. Finally, experimental conditions that significantly impacted assay performance were investigated with respect to optimization and limitation. Because of its simplicity, fast data acquisition (3-5 s) and low cost, DART has the potential to significantly impact quantitative pharmaceutical analysis in biological matrices.\n
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\n \n\n \n \n \n \n \n Solvent Effect on the Self-Assembled Structure of an Amphiphilic Perylene Diimide Derivative.\n \n \n \n\n\n \n Yang, X.; Xu, X.; and Ji, H.\n\n\n \n\n\n\n Journal of Physical Chemistry B, 112: 7196–7202. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{yang_solvent_2008,\n\ttitle = {Solvent {Effect} on the {Self}-{Assembled} {Structure} of an {Amphiphilic} {Perylene} {Diimide} {Derivative}},\n\tvolume = {112},\n\tdoi = {10.1021/jp801413k},\n\tabstract = {An amphiphilic electron-deficient (n-type) perylene diimide has been synthesized and characterized. The diimide\ncontains a hydrophobic long chain on one end and a hydrophilic ethoxy chain on the other. The self-assembly\nof this molecule in polar and nonpolar solvents has been demonstrated by concentration- and temperaturedependent\nabsorption and fluorescence spectroscopies. Analysis of the spectral change for the aggregates\nshows typical J-aggregates for structures precipitated from polar solvents and H-aggregates for structures\nprecipitated from nonpolar solvents. SEM and TEM micrographs and a suggested packing scheme, compatible\nwith the formation of nanostrips in nonpolar solvents and nanofibers in polar solvents, are presented.},\n\tjournal = {Journal of Physical Chemistry B},\n\tauthor = {Yang, Xin and Xu, Xiaohe and Ji, Hai-Feng},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {7196--7202},\n}\n\n\n\n
\n
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\n An amphiphilic electron-deficient (n-type) perylene diimide has been synthesized and characterized. The diimide contains a hydrophobic long chain on one end and a hydrophilic ethoxy chain on the other. The self-assembly of this molecule in polar and nonpolar solvents has been demonstrated by concentration- and temperaturedependent absorption and fluorescence spectroscopies. Analysis of the spectral change for the aggregates shows typical J-aggregates for structures precipitated from polar solvents and H-aggregates for structures precipitated from nonpolar solvents. SEM and TEM micrographs and a suggested packing scheme, compatible with the formation of nanostrips in nonpolar solvents and nanofibers in polar solvents, are presented.\n
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\n \n\n \n \n \n \n \n Control of Strobilurin Fungicides in Wheat Using Direct Analysis in Real Time Accurate Time-of-Flight and Desorption Electrospray Ionization Linear Ion Trap Mass Spectrometry.\n \n \n \n\n\n \n Schurek, J.; Vaclavik, L.; Hooijerink, H.; Lacina, O.; Poustka, J.; Sharman, M.; Caldow, M.; Nielen, M. W. F.; and Hajslova, J.\n\n\n \n\n\n\n Analytical Chemistry, 80(24): 9567–9575. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{schurek_control_2008,\n\ttitle = {Control of {Strobilurin} {Fungicides} in {Wheat} {Using} {Direct} {Analysis} in {Real} {Time} {Accurate} {Time}-of-{Flight} and {Desorption} {Electrospray} {Ionization} {Linear} {Ion} {Trap} {Mass} {Spectrometry}},\n\tvolume = {80},\n\tdoi = {10.1021/ac8018137},\n\tabstract = {Ambient mass spectrometry has been used for the analysis of strobilurin residues in wheat. The use of this novel, challenging technique, employing a direct analysis in a real time (DART) ion-source coupled with a time-of-flight mass spectrometer (TOF MS) and a desorption electrospray ionization (DESI) source coupled with a linear ion trap tandem MS (LIT MSn), permitted a direct screen of the occurrence of target fungicides in treated grains in less than 1 min. For quantification purpose by DART-TOF MS, an ethyl acetate extract had to be prepared. With the use of a prochloraz as an internal standard, the performance characteristics obtained by repeated analyses of extract, spiked at 50 μg kg−1 with six strobilurins (azoxystrobin, picoxystrobin, dimoxystrobin, kresoxim-methyl, pyraclostrobin, and trifloxystrobin), were in the following range: recoveries 78−92\\%, repeatability (RSD) 8−15\\%, linearity (R2) 0.9900−0.9978. The analysis of wheat with incurred strobilurin residues demonstrated good trueness of data generated by the DART-TOF MS method; the results were in a good agreement with those obtained by the conventional approach, i.e., by the QuEChERS sample handling procedure followed by identification/quantification employing high-performance liquid chromatography coupled with tandem mass spectrometry (LC−MS/MS). Tandem mass spectrometry using DESI-LIT MSn provided a sufficient number of product ions for confirmation of the identity of azoxystrobin and pyraclostrobin in incurred wheat samples.},\n\tnumber = {24},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Schurek, Jakub and Vaclavik, Lukas and Hooijerink, H. and Lacina, Ondrej and Poustka, Jan and Sharman, Matthew and Caldow, Marianne and Nielen, Michel W. F. and Hajslova, Jana},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {9567--9575},\n}\n\n\n\n
\n
\n\n\n
\n Ambient mass spectrometry has been used for the analysis of strobilurin residues in wheat. The use of this novel, challenging technique, employing a direct analysis in a real time (DART) ion-source coupled with a time-of-flight mass spectrometer (TOF MS) and a desorption electrospray ionization (DESI) source coupled with a linear ion trap tandem MS (LIT MSn), permitted a direct screen of the occurrence of target fungicides in treated grains in less than 1 min. For quantification purpose by DART-TOF MS, an ethyl acetate extract had to be prepared. With the use of a prochloraz as an internal standard, the performance characteristics obtained by repeated analyses of extract, spiked at 50 μg kg−1 with six strobilurins (azoxystrobin, picoxystrobin, dimoxystrobin, kresoxim-methyl, pyraclostrobin, and trifloxystrobin), were in the following range: recoveries 78−92%, repeatability (RSD) 8−15%, linearity (R2) 0.9900−0.9978. The analysis of wheat with incurred strobilurin residues demonstrated good trueness of data generated by the DART-TOF MS method; the results were in a good agreement with those obtained by the conventional approach, i.e., by the QuEChERS sample handling procedure followed by identification/quantification employing high-performance liquid chromatography coupled with tandem mass spectrometry (LC−MS/MS). Tandem mass spectrometry using DESI-LIT MSn provided a sufficient number of product ions for confirmation of the identity of azoxystrobin and pyraclostrobin in incurred wheat samples.\n
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\n \n\n \n \n \n \n \n Flammable Solvent Detection Directly from Common Household Materials Yields Differential Results: An Application of Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n\n\n \n Coates, C.; Coticone, S.; Barreto, P.; Cobb, A.; Cody, R.; and Barreto, J.\n\n\n \n\n\n\n Journal of Forensic Identification, 58(6): 624 –631. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{coates_flammable_2008,\n\ttitle = {Flammable {Solvent} {Detection} {Directly} from {Common} {Household} {Materials} {Yields} {Differential} {Results}: {An} {Application} of {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}.},\n\tvolume = {58},\n\tabstract = {In this study, we report the analysis of volatile flammable solvents present on common household materials by employing a mass spectrometric technique that incorporates a novel ion source: direct analysis in real time (DART). We used the new ionization method to directly volatilize and ionize a solvent sample, which was then sent to a high-resolution mass spectrometer. We analyzed two common flammable solvents, gasoline and paint thinner, directly from cotton, drywall, and nylon materials. DART sampling occurs directly from the chemical matrix of the common household materials, with no sample preparation needed. Cotton swabs containing solvents, gasoline, and paint thinner produced characteristic signature peaks. In addition, different substrates (cotton, nylon, and drywall) containing gasoline and paint thinner were tested to determine the possibility of detecting aromatic and aliphatic solvents from a complex chemical matrix using DART technology. Specifically, we discovered that nylon was a poor substrate for DART detection of gasoline, with the entire signal disappearing in only two hours. Surprisingly, DART easily detected paint thinner on nylon even after 16 hours. Notably, DART was effective in all other cases, detecting both paint thinner and gasoline over a 0- to 16-hour period on cotton and drywall substrates. We conclude that DART sample detection directly from household materials is not simply a matter of vapor pressure; instead, direct DART detection probably dependent on a complex interaction involving adsorption effects or matrix effects on the ionization mechanism of the flammable solvents. We demonstrate and report a potentially simple, powerful, and useful alternative to traditional mass spectrometric analysis.},\n\tnumber = {6},\n\tjournal = {Journal of Forensic Identification},\n\tauthor = {Coates, C.M. and Coticone, S. and Barreto, P.D. and Cobb, A.E. and Cody, R.B. and Barreto, J.C.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {624 --631},\n}\n\n\n\n
\n
\n\n\n
\n In this study, we report the analysis of volatile flammable solvents present on common household materials by employing a mass spectrometric technique that incorporates a novel ion source: direct analysis in real time (DART). We used the new ionization method to directly volatilize and ionize a solvent sample, which was then sent to a high-resolution mass spectrometer. We analyzed two common flammable solvents, gasoline and paint thinner, directly from cotton, drywall, and nylon materials. DART sampling occurs directly from the chemical matrix of the common household materials, with no sample preparation needed. Cotton swabs containing solvents, gasoline, and paint thinner produced characteristic signature peaks. In addition, different substrates (cotton, nylon, and drywall) containing gasoline and paint thinner were tested to determine the possibility of detecting aromatic and aliphatic solvents from a complex chemical matrix using DART technology. Specifically, we discovered that nylon was a poor substrate for DART detection of gasoline, with the entire signal disappearing in only two hours. Surprisingly, DART easily detected paint thinner on nylon even after 16 hours. Notably, DART was effective in all other cases, detecting both paint thinner and gasoline over a 0- to 16-hour period on cotton and drywall substrates. We conclude that DART sample detection directly from household materials is not simply a matter of vapor pressure; instead, direct DART detection probably dependent on a complex interaction involving adsorption effects or matrix effects on the ionization mechanism of the flammable solvents. We demonstrate and report a potentially simple, powerful, and useful alternative to traditional mass spectrometric analysis.\n
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\n \n\n \n \n \n \n \n \n Planar Chromatography - Back to the future?.\n \n \n \n \n\n\n \n Morlock, G.; and Schwack, W.\n\n\n \n\n\n\n LC/GC Europe, (21): 366–371. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"PlanarPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{morlock_planar_2008,\n\ttitle = {Planar {Chromatography} - {Back} to the future?},\n\turl = {http://chromatographyonline.findanalytichem.com/lcgc/article/articleDetail.jsp?id=531582&pageID=1&sk=&date=},\n\tabstract = {The importance of planar chromatography, particularly thin layer chromatography (TLC), is vastly underestimated. This article highlights\nthe unique attributes of high performance thin layer chromatography (HPTLC) compared with rival column techniques. Two advanced\napplications in planar chromatography are described to illustrate the potential of this technique: bioactivity-based detection and coupling\nwith mass spectrometry (MS).},\n\tnumber = {21},\n\tjournal = {LC/GC Europe},\n\tauthor = {Morlock, G. and Schwack, W.},\n\tyear = {2008},\n\tkeywords = {Thermo LTQ},\n\tpages = {366--371},\n}\n\n\n\n
\n
\n\n\n
\n The importance of planar chromatography, particularly thin layer chromatography (TLC), is vastly underestimated. This article highlights the unique attributes of high performance thin layer chromatography (HPTLC) compared with rival column techniques. Two advanced applications in planar chromatography are described to illustrate the potential of this technique: bioactivity-based detection and coupling with mass spectrometry (MS).\n
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\n \n\n \n \n \n \n \n Prevalence and Detection of Counterfeit Pharmaceuticals: A Mini Review.\n \n \n \n\n\n \n Fernandez, F. M.; Green, M. D.; and Newton, P. N.\n\n\n \n\n\n\n Ind. Eng. Chem. Res., 47(3): 585–590. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{fernandez_prevalence_2008,\n\ttitle = {Prevalence and {Detection} of {Counterfeit} {Pharmaceuticals}: {A} {Mini} {Review}},\n\tvolume = {47},\n\tissn = {0888-5885},\n\tabstract = {Counterfeit drugs are a widespread, important public health problem. This mini review reports on the current status of the issue of drug counterfeiting, with special emphasis on our findings on counterfeit anti-infectives, and the new detection tools being developed to identify and characterize fake drugs.},\n\tnumber = {3},\n\tjournal = {Ind. Eng. Chem. Res.},\n\tauthor = {Fernandez, F. M. and Green, M. D. and Newton, P. N.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {585--590},\n}\n\n\n\n
\n
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\n Counterfeit drugs are a widespread, important public health problem. This mini review reports on the current status of the issue of drug counterfeiting, with special emphasis on our findings on counterfeit anti-infectives, and the new detection tools being developed to identify and characterize fake drugs.\n
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\n \n\n \n \n \n \n \n \n Characterization of “Yaa Chud” Medicine on the Thailand–Myanmar Border: Selecting for Drug-resistant Malaria and Threatening Public Health.\n \n \n \n \n\n\n \n Newton, P. N.; Hampton, C. Y.; Alter-Hall, K.; Teerwarakulpana, T.; Prakongpan, S.; Ruangveerayuth, R.; White, N. J.; Day, N. P. J.; Tudino, M. B.; Mancuso, N.; and Fernández, F. M.\n\n\n \n\n\n\n The American Journal of Tropical Medicine and Hygiene, 79(5): 662 –669. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{newton_characterization_2008,\n\ttitle = {Characterization of “{Yaa} {Chud}” {Medicine} on the {Thailand}–{Myanmar} {Border}: {Selecting} for {Drug}-resistant {Malaria} and {Threatening} {Public} {Health}},\n\tvolume = {79},\n\turl = {http://www.ajtmh.org/content/79/5/662.abstract},\n\tabstract = {Multidrug-resistant Plasmodium falciparum malaria is a severe public health problem on the Thailand–Myanmar border. Many villagers buy packets of 4–5 mixed medicines (“yaa chud”) from shops without medical assessment as their first-line malaria treatment. In 2000–2001 a local researcher purchased 50 yaa chud from 44 shops around Mae Sot, Thailand and Myawaddy, Myanmar (Burma), for his wife who was said to be pregnant with fever and drowsiness. The tablets/capsules were provisionally identified by appearance and active ingredients determined in a subset by using mass and atomic spectrometry. The most frequently detected active ingredients were acetaminophen (22\\%), chlorpheniramine (13.4\\%), chloroquine (12.6\\%), tetracycline/doxycycline (11.4\\%), and quinine (5.1\\%). Only seven bags contained potentially curative medicine for malaria. A total of 82\\% of the bags contained medicines contraindicated in pregnancy. Inappropriate, ineffective antimalarial drugs on the Thailand–Myanmar border are likely to increase malaria morbidity, mortality and health costs and engender the emergence and spread of antimalarial drug resistance.},\n\tnumber = {5},\n\tjournal = {The American Journal of Tropical Medicine and Hygiene},\n\tauthor = {Newton, Paul N. and Hampton, Christina Y. and Alter-Hall, Krystyn and Teerwarakulpana, Thanongsak and Prakongpan, Sompol and Ruangveerayuth, Ronnatrai and White, Nicholas J. and Day, Nicholas P. J. and Tudino, Mabel B. and Mancuso, Natalia and Fernández, Facundo M.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {662 --669},\n}\n\n\n\n
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\n Multidrug-resistant Plasmodium falciparum malaria is a severe public health problem on the Thailand–Myanmar border. Many villagers buy packets of 4–5 mixed medicines (“yaa chud”) from shops without medical assessment as their first-line malaria treatment. In 2000–2001 a local researcher purchased 50 yaa chud from 44 shops around Mae Sot, Thailand and Myawaddy, Myanmar (Burma), for his wife who was said to be pregnant with fever and drowsiness. The tablets/capsules were provisionally identified by appearance and active ingredients determined in a subset by using mass and atomic spectrometry. The most frequently detected active ingredients were acetaminophen (22%), chlorpheniramine (13.4%), chloroquine (12.6%), tetracycline/doxycycline (11.4%), and quinine (5.1%). Only seven bags contained potentially curative medicine for malaria. A total of 82% of the bags contained medicines contraindicated in pregnancy. Inappropriate, ineffective antimalarial drugs on the Thailand–Myanmar border are likely to increase malaria morbidity, mortality and health costs and engender the emergence and spread of antimalarial drug resistance.\n
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\n \n\n \n \n \n \n \n Expression of tropane alkaloids in the hairy root culture of Atropa acuminata substantiated by DART mass spectrometric technique.\n \n \n \n\n\n \n Banerjee, S.; Madhusudanan, K. P.; Chattopadhyay, S. K.; Rahman, L. U.; and Khanuja, S. P. S.\n\n\n \n\n\n\n Biomedical Chromatography, 22(8): 830–834. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{banerjee_expression_2008,\n\ttitle = {Expression of tropane alkaloids in the hairy root culture of {Atropa} acuminata substantiated by {DART} mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {Agrobacterium rhizogenes-mediated hairy root cultures were established in Atropa acuminata. The chemical profiling of the hairy roots was carried out by a new mass spectrometric technique, direct analysis in real time (DART). The intact hairy roots were directly analyzed by holding them in the gap between the DART ion source and mass spectrometer. Two alkaloids, atropine and scopolamine, were characterized. The structural confirmation of the two alkaloids was made through their accurate molecular formula determinations. This is the first report of establishing hairy roots in A. acuminata as well as application of the DART technique for the chemical profiling of its hairy roots.},\n\tnumber = {8},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Banerjee, Suchitra and Madhusudanan, K. P. and Chattopadhyay, Sunil K. and Rahman, Laiq Ur and Khanuja, Suman P. S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {830--834},\n}\n\n\n\n
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\n Agrobacterium rhizogenes-mediated hairy root cultures were established in Atropa acuminata. The chemical profiling of the hairy roots was carried out by a new mass spectrometric technique, direct analysis in real time (DART). The intact hairy roots were directly analyzed by holding them in the gap between the DART ion source and mass spectrometer. Two alkaloids, atropine and scopolamine, were characterized. The structural confirmation of the two alkaloids was made through their accurate molecular formula determinations. This is the first report of establishing hairy roots in A. acuminata as well as application of the DART technique for the chemical profiling of its hairy roots.\n
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\n \n\n \n \n \n \n \n An Integrated Wipe Sample Transport/Autosampler to Maximize Throughput for a Direct Analysis in Real Time (DART)/Orthogonal Acceleration, Time-of-Flight Mass Spectrometer (oa-TOFMS).\n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Environmental Forensics, 9(2): 137 – 143. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_integrated_2008,\n\ttitle = {An {Integrated} {Wipe} {Sample} {Transport}/{Autosampler} to {Maximize} {Throughput} for a {Direct} {Analysis} in {Real} {Time} ({DART})/{Orthogonal} {Acceleration}, {Time}-of-{Flight} {Mass} {Spectrometer} (oa-{TOFMS})},\n\tvolume = {9},\n\tissn = {1527-5922},\n\tabstract = {A wipe sample transport was designed and built to meet two objectives: to simplify collection, storage, and transport of cotton swab wipe samples and to provide a sample train of 72 wipe samples nearly ready for analysis when the swabs reach the laboratory. The cotton swabs are mounted on an Al rod that is the sample support for an autosampler used to perform direct analysis in real time (DART)/orthogonal acceleration, time-of-flight mass spectrometry (oa-TOFMS) analyses. The goal is for one analyst to analyze 1000 wipe samples mounted on 14 Al rods in one 8-h shift.},\n\tnumber = {2},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, Andrew H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {137 -- 143},\n}\n\n\n\n
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\n A wipe sample transport was designed and built to meet two objectives: to simplify collection, storage, and transport of cotton swab wipe samples and to provide a sample train of 72 wipe samples nearly ready for analysis when the swabs reach the laboratory. The cotton swabs are mounted on an Al rod that is the sample support for an autosampler used to perform direct analysis in real time (DART)/orthogonal acceleration, time-of-flight mass spectrometry (oa-TOFMS) analyses. The goal is for one analyst to analyze 1000 wipe samples mounted on 14 Al rods in one 8-h shift.\n
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\n \n\n \n \n \n \n \n \n Analysis of Deoxynivalenol in Beer.\n \n \n \n \n\n\n \n Hajslova, J.; Vaclavik, L.; Cajka, T.; Poustka, J.; and Schurek, J.\n\n\n \n\n\n\n 2008.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@misc{hajslova_analysis_2008,\n\ttitle = {Analysis of {Deoxynivalenol} in {Beer}},\n\turl = {http://chromatographyonline.findanalytichem.com/lcgc/Articles/Analysis-of-Deoxynivalenol-in-Beer/ArticleStandard/Article/detail/547873},\n\tjournal = {LCGC: Chromatography Online},\n\tauthor = {Hajslova, Jana and Vaclavik, Lukas and Cajka, Tomas and Poustka, Jan and Schurek, Jakub},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Pharmacokinetic analysis of anti-allergy and anti-inflammation bioactives in a nettle (Urtica dioica) extract.\n \n \n \n\n\n \n Ayers, S.; Roschek, B. J.; Williams, J.; and Alberte, R.\n\n\n \n\n\n\n Online Journal of Pharmacology and PharmacoKinetics, 5: 6–21. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{ayers_pharmacokinetic_2008,\n\ttitle = {Pharmacokinetic analysis of anti-allergy and anti-inflammation bioactives in a nettle ({Urtica} dioica) extract.},\n\tvolume = {5},\n\tabstract = {Pharmacokinetic analyses were conducted using DART TOF-MS on the uptake of bioactive components present in a nettle (Urtica dioica) extract delivered orally as a lozenge. Previously adenine, synephrine, osthole, and nicotinamide were shown to be key bioactives contributing to the anti-inflammatory and anti-allergy properties of the nettle extract (Roschek et al, 2009). Average serum concentrations of adenine reached 35.2 nmol L-1, nicotinamide reached 8.7 nmol L-1, osthole reached 11.0 nmol L-1, and synephrine reached 107.4 nmol L-1. These serum levels are equivalent to 0.3\\%, 0.2\\%, 0.2\\%, and 1.6\\% oral bioavailability for adenine, synephrine, osthole and nicotinamide respectively. Urine concentrations for adenine, nicotinamide, synephrine, and osthole reached 4.9 nmol L-1, 2.5 nmol L-1, 6.6 nmol L-1, and 0.2 nmol L-1, respectively. The major pharmacokinetic parameters (Cmax, Tmax, T1/2) were determined and compared for serum and urine. For all three of the compounds, Cmax values decreased 2- to 16-fold in urine compared to serum, Tmax values increased 2- to 12-fold, and T1/2 values increased 2- to 10-fold. Molecular modeling revealed that these compounds were not likely to cross the blood-brain barrier, particularly important for the anti-histamine bioactives to ensure a non-drowsy activity. These results show that antiinflammatory and anti-allergenic compounds in nettle are readily absorbed into the body and excreted in the urine when a nettle extract is delivered orally as a lozenge. In addition, DART TOF-MS is useful in quantifying multiple components in biological matrices with little or no sample preparation.},\n\tjournal = {Online Journal of Pharmacology and PharmacoKinetics},\n\tauthor = {Ayers, S. and Roschek, B. Jr and Williams, J.M. and Alberte, R.S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {6--21},\n}\n\n\n\n
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\n Pharmacokinetic analyses were conducted using DART TOF-MS on the uptake of bioactive components present in a nettle (Urtica dioica) extract delivered orally as a lozenge. Previously adenine, synephrine, osthole, and nicotinamide were shown to be key bioactives contributing to the anti-inflammatory and anti-allergy properties of the nettle extract (Roschek et al, 2009). Average serum concentrations of adenine reached 35.2 nmol L-1, nicotinamide reached 8.7 nmol L-1, osthole reached 11.0 nmol L-1, and synephrine reached 107.4 nmol L-1. These serum levels are equivalent to 0.3%, 0.2%, 0.2%, and 1.6% oral bioavailability for adenine, synephrine, osthole and nicotinamide respectively. Urine concentrations for adenine, nicotinamide, synephrine, and osthole reached 4.9 nmol L-1, 2.5 nmol L-1, 6.6 nmol L-1, and 0.2 nmol L-1, respectively. The major pharmacokinetic parameters (Cmax, Tmax, T1/2) were determined and compared for serum and urine. For all three of the compounds, Cmax values decreased 2- to 16-fold in urine compared to serum, Tmax values increased 2- to 12-fold, and T1/2 values increased 2- to 10-fold. Molecular modeling revealed that these compounds were not likely to cross the blood-brain barrier, particularly important for the anti-histamine bioactives to ensure a non-drowsy activity. These results show that antiinflammatory and anti-allergenic compounds in nettle are readily absorbed into the body and excreted in the urine when a nettle extract is delivered orally as a lozenge. In addition, DART TOF-MS is useful in quantifying multiple components in biological matrices with little or no sample preparation.\n
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\n \n\n \n \n \n \n \n Analytical Strategy for Rapid Identification and Quantification of Lubricant Additives in Mineral Oil by High-Performance Thin-Layer Chromatography with UV Absorption and Fluorescence Detection Combined with Mass Spectrometry and Infrared Spectroscopy.\n \n \n \n\n\n \n Dytkiewitz, E.; and Morlock, G. E.\n\n\n \n\n\n\n Journal of AOAC International, 91(5): 1237–1244. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{dytkiewitz_analytical_2008,\n\ttitle = {Analytical {Strategy} for {Rapid} {Identification} and {Quantification} of {Lubricant} {Additives} in {Mineral} {Oil} by {High}-{Performance} {Thin}-{Layer} {Chromatography} with {UV} {Absorption} and {Fluorescence} {Detection} {Combined} with {Mass} {Spectrometry} and {Infrared} {Spectroscopy}},\n\tvolume = {91},\n\tabstract = {A simple strategy for identification and quantification of lubricant additives in mineral oil was demonstrated by high-performance thin-layer chromatography with UV absorption and fluorescence detection using various coupling options, e.g., with attenuated total reflectance infrared (ATR-IR) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, electrospray ionization mass spectrometry (ESI-MS), and direct analysis in real-time mass spectrometry (DART-MS). For the additives zinc bis(O,O'-diisobutyl dithiophosphate), zinc bis(O,O'-didodecyl dithiophosphate), and Anglamol 99®, 2 chromatographic systems were developed, i.e., a reversed-phase (RP) system on RP2 plates using an acetonitrile-based mobile phase and a normal-phase system on silica gel 60 plates using a toluene-based gradient. Densitometry was performed by absorption measurement at 220 nm. Repeatabilities (relative standard deviation, n = 6) between 2.2 and 5.5\\% and correlation coefficients {\\textgreater}0.9973 were highly satisfactory for the analysis of these additives in the mineral oil. Primuline reagent was used to improve the detection limit of the lipophilic additives by a factor of 2, followed by fluorescence measurement at UV 366/{\\textgreater}400 nm. For rapid identification by ATR-IR and FTIR, the respective additive zones on the plate were online extracted by an interface called ChromeXtract, concentrated, and directly applied for measurements in the wave number range of 4000–400 cm−1. Identification was confirmed by online ESI-MS within a minute using ChromeXtract and by DART-MS within seconds.},\n\tnumber = {5},\n\tjournal = {Journal of AOAC International},\n\tauthor = {Dytkiewitz, Elisabeth and Morlock, Gertrud E.},\n\tyear = {2008},\n\tkeywords = {Agilent Quad},\n\tpages = {1237--1244},\n}\n\n\n\n
\n
\n\n\n
\n A simple strategy for identification and quantification of lubricant additives in mineral oil was demonstrated by high-performance thin-layer chromatography with UV absorption and fluorescence detection using various coupling options, e.g., with attenuated total reflectance infrared (ATR-IR) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, electrospray ionization mass spectrometry (ESI-MS), and direct analysis in real-time mass spectrometry (DART-MS). For the additives zinc bis(O,O'-diisobutyl dithiophosphate), zinc bis(O,O'-didodecyl dithiophosphate), and Anglamol 99®, 2 chromatographic systems were developed, i.e., a reversed-phase (RP) system on RP2 plates using an acetonitrile-based mobile phase and a normal-phase system on silica gel 60 plates using a toluene-based gradient. Densitometry was performed by absorption measurement at 220 nm. Repeatabilities (relative standard deviation, n = 6) between 2.2 and 5.5% and correlation coefficients \\textgreater0.9973 were highly satisfactory for the analysis of these additives in the mineral oil. Primuline reagent was used to improve the detection limit of the lipophilic additives by a factor of 2, followed by fluorescence measurement at UV 366/\\textgreater400 nm. For rapid identification by ATR-IR and FTIR, the respective additive zones on the plate were online extracted by an interface called ChromeXtract, concentrated, and directly applied for measurements in the wave number range of 4000–400 cm−1. Identification was confirmed by online ESI-MS within a minute using ChromeXtract and by DART-MS within seconds.\n
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\n \n\n \n \n \n \n \n An Inexpensive Autosampler to Maximize Throughput for an Ion Source that Samples Surfaces in Open Air.\n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Environmental Forensics, 9(2): 127–136. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_inexpensive_2008,\n\ttitle = {An {Inexpensive} {Autosampler} to {Maximize} {Throughput} for an {Ion} {Source} that {Samples} {Surfaces} in {Open} {Air}},\n\tvolume = {9},\n\tissn = {1527-5922},\n\tabstract = {Rapid analysis of hundreds of wipe samples after a chemical dispersion event is essential for quickly characterizing the hazard posed to the public. An autosampler was built to pull 76 cotton swabs mounted along a 91-cm (3-foot) long, square aluminum rod in open air, through the ionizing beam of a direct analysis in real time (DART) ion source interfaced to a time-of-flight mass spectrometer. The rod and swabs mounted on N-scale model railroad flat cars were pulled through the ion source in 7.5 min by a 7-rpm motor. Percent relative standard deviations (\\%RSDs) of 18.5\\% to 21.3\\% were obtained for the chromatographic peak areas of the protonated molecule. Maximum-to-minimum ratios of the areas were between 2.22 and 2.71. Measured exact masses of analyte ions were always accurate to within 1 mDa.},\n\tnumber = {2},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, Andrew H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {127--136},\n}\n\n\n\n
\n
\n\n\n
\n Rapid analysis of hundreds of wipe samples after a chemical dispersion event is essential for quickly characterizing the hazard posed to the public. An autosampler was built to pull 76 cotton swabs mounted along a 91-cm (3-foot) long, square aluminum rod in open air, through the ionizing beam of a direct analysis in real time (DART) ion source interfaced to a time-of-flight mass spectrometer. The rod and swabs mounted on N-scale model railroad flat cars were pulled through the ion source in 7.5 min by a 7-rpm motor. Percent relative standard deviations (%RSDs) of 18.5% to 21.3% were obtained for the chromatographic peak areas of the protonated molecule. Maximum-to-minimum ratios of the areas were between 2.22 and 2.71. Measured exact masses of analyte ions were always accurate to within 1 mDa.\n
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\n \n\n \n \n \n \n \n \n Rapid and sensitive determination of acrylamide in drinking water by planar chromatography and fluorescence detection after derivatization with dansulfinic acid.\n \n \n \n \n\n\n \n Alpmann, A.; and Morlock, G.\n\n\n \n\n\n\n Journal of Separation Science, 31(1): 71–77. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{alpmann_rapid_2008,\n\ttitle = {Rapid and sensitive determination of acrylamide in drinking water by planar chromatography and fluorescence detection after derivatization with dansulfinic acid},\n\tvolume = {31},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.200700391},\n\tabstract = {On the basis of a novel derivatization, a new planar chromatographic method has been developed for the determination of acrylamide (AA) in drinking water at the ultra-trace level. After SPE, the water extracts were oversprayed on a high-performance thin-layer chromatography (HPTLC) silica gel plate with the derivatization agent dansulfinic acid and derivatized in situ. Chromatography was performed with ethyl acetate and the fluorescent product was quantified at 366/{\\textgreater}400 nm. Verification was based on HPTLC-ESI/MS, HPTLC-direct analysis in real-time (DART)-TOF/MS and NMR. The routine HPTLC-fluorescence detection (FLD) method was validated for spiked drinking water. The regression analysis was linear (r {\\textgreater}0.9918) in the range of 0.1-0.4 mug/L. LOD was calculated to be 0.025 mug/L and experimentally proved for spiked samples at levels down to 0.05 mug/L (S/N = 6) which was suited for monitoring the EU limit value of 0.1 mug/L in drinking water (0.5 mug/L demanded by World Health Organization (WHO)/US Environmental Protection Agency (EPA)). Within-run precision and the mean between-run precision (RSD, n = 3, three concentration levels each) were evaluated to be 4.8 and 11.0\\%, respectively. The mean recovery (0.1, 0.2, and 0.3 mug/L) was 96\\% corrected by the internal standard. The method, in comparison with HPLC-MS/MS showed comparable results and demonstrated the accuracy of the method.},\n\tnumber = {1},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Alpmann, Alexander and Morlock, Gertrud},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {71--77},\n}\n\n\n\n
\n
\n\n\n
\n On the basis of a novel derivatization, a new planar chromatographic method has been developed for the determination of acrylamide (AA) in drinking water at the ultra-trace level. After SPE, the water extracts were oversprayed on a high-performance thin-layer chromatography (HPTLC) silica gel plate with the derivatization agent dansulfinic acid and derivatized in situ. Chromatography was performed with ethyl acetate and the fluorescent product was quantified at 366/\\textgreater400 nm. Verification was based on HPTLC-ESI/MS, HPTLC-direct analysis in real-time (DART)-TOF/MS and NMR. The routine HPTLC-fluorescence detection (FLD) method was validated for spiked drinking water. The regression analysis was linear (r \\textgreater0.9918) in the range of 0.1-0.4 mug/L. LOD was calculated to be 0.025 mug/L and experimentally proved for spiked samples at levels down to 0.05 mug/L (S/N = 6) which was suited for monitoring the EU limit value of 0.1 mug/L in drinking water (0.5 mug/L demanded by World Health Organization (WHO)/US Environmental Protection Agency (EPA)). Within-run precision and the mean between-run precision (RSD, n = 3, three concentration levels each) were evaluated to be 4.8 and 11.0%, respectively. The mean recovery (0.1, 0.2, and 0.3 mug/L) was 96% corrected by the internal standard. The method, in comparison with HPLC-MS/MS showed comparable results and demonstrated the accuracy of the method.\n
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\n \n\n \n \n \n \n \n Implementation of DART and DESI Ionization on a Fieldable Mass Spectrometer.\n \n \n \n\n\n \n Wells, J. M.; Roth, M. J.; Keil, A. D.; Grossenbacher, J. W.; Justes, D. R.; Patterson, G. E.; and Barket Jr., D. J.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 19(10): 1419–1424. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{wells_implementation_2008,\n\ttitle = {Implementation of {DART} and {DESI} {Ionization} on a {Fieldable} {Mass} {Spectrometer}},\n\tvolume = {19},\n\tdoi = {10.1016/j.jasms.2008.06.028},\n\tabstract = {A recently developed prototype mobile laboratory mass spectrometer, incorporating an atmospheric pressure ionization (API) interface, is described. This system takes advantage of the small size, lower voltage requirements, and tandem MS abilities of the cylindrical ion trap mass analyzer. The prototype API MS uses small, low-power pumps to fit into a 0.1-m3 self-contained package weighing less than 45 kg. This instrument has been adapted to allow rapid interfacing to electrospray ionization, desorption electrospray ionization, and direct analysis in real-time sources. Initial data indicate that these techniques provide rapid detection and identification of compounds for quality control, homeland security, and forensic applications. In addition, this instrument is self-contained and compact, making it ideally extensible to mobile laboratory and field analyses. Initial MS and MS/MS data for analyses of drugs, food, and explosives are presented herein.},\n\tnumber = {10},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Wells, J. Mitchell and Roth, Michael J. and Keil, Adam D. and Grossenbacher, John W. and Justes, Dina R. and Patterson, Garth E. and Barket Jr., Dennis J.},\n\tyear = {2008},\n\tkeywords = {Griffin},\n\tpages = {1419--1424},\n}\n\n\n\n
\n
\n\n\n
\n A recently developed prototype mobile laboratory mass spectrometer, incorporating an atmospheric pressure ionization (API) interface, is described. This system takes advantage of the small size, lower voltage requirements, and tandem MS abilities of the cylindrical ion trap mass analyzer. The prototype API MS uses small, low-power pumps to fit into a 0.1-m3 self-contained package weighing less than 45 kg. This instrument has been adapted to allow rapid interfacing to electrospray ionization, desorption electrospray ionization, and direct analysis in real-time sources. Initial data indicate that these techniques provide rapid detection and identification of compounds for quality control, homeland security, and forensic applications. In addition, this instrument is self-contained and compact, making it ideally extensible to mobile laboratory and field analyses. Initial MS and MS/MS data for analyses of drugs, food, and explosives are presented herein.\n
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\n \n\n \n \n \n \n \n Recent developments in ambient ionization techniques for analytical mass spectrometry.\n \n \n \n\n\n \n Harris, G. A.; Nyadong, L.; and Fernandez, F. M.\n\n\n \n\n\n\n Analyst, 133: 1297–1301. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{harris_recent_2008,\n\ttitle = {Recent developments in ambient ionization techniques for analytical mass spectrometry},\n\tvolume = {133},\n\tdoi = {DOI: 10.1039/b806810k},\n\tabstract = {Ambient ionization techniques enable the interrogation of a variety of samples in their native state by mass spectrometry, and are rapidly advancing all fields where screening for the presence of various analytes in a broadband and/or high-throughput fashion is desirable. This Highlight article provides an introduction to the field, and showcases the different ionization approaches reported since 2004, with an emphasis on themost recent developments.},\n\tjournal = {Analyst},\n\tauthor = {Harris, Glenn A. and Nyadong, Leonard and Fernandez, Facundo M.},\n\tyear = {2008},\n\tkeywords = {review; AccuTOF},\n\tpages = {1297--1301},\n}\n\n\n\n
\n
\n\n\n
\n Ambient ionization techniques enable the interrogation of a variety of samples in their native state by mass spectrometry, and are rapidly advancing all fields where screening for the presence of various analytes in a broadband and/or high-throughput fashion is desirable. This Highlight article provides an introduction to the field, and showcases the different ionization approaches reported since 2004, with an emphasis on themost recent developments.\n
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\n \n\n \n \n \n \n \n Analysis of cell cultures of Taxus wallichiana using direct analysis in real-time mass spectrometric technique.\n \n \n \n\n\n \n Banerjee, S.; Madhusudanan, K. P.; Khanuja, S. P. S.; and Chattopadhyay, S. K.\n\n\n \n\n\n\n Biomedical Chromatography, 22(3): 250–253. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{banerjee_analysis_2008,\n\ttitle = {Analysis of cell cultures of {Taxus} wallichiana using direct analysis in real-time mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the calli of Taxus wallichiana. The intact callus samples were directly analyzed by holding them in the gap between the DART source and mass spectrometer for measurements. Five C-14 oxygenated taxoids were characterized from the analysis of the calli of the Taxus wallichiana almost instantaneously. The confirmation of the structures of the identified taxoids was made through their accurate molecular formula determinations.},\n\tnumber = {3},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Banerjee, Suchitra and Madhusudanan, K. P. and Khanuja, Suman P. S. and Chattopadhyay, Sunil K.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {250--253},\n}\n\n\n\n
\n
\n\n\n
\n The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the calli of Taxus wallichiana. The intact callus samples were directly analyzed by holding them in the gap between the DART source and mass spectrometer for measurements. Five C-14 oxygenated taxoids were characterized from the analysis of the calli of the Taxus wallichiana almost instantaneously. The confirmation of the structures of the identified taxoids was made through their accurate molecular formula determinations.\n
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\n \n\n \n \n \n \n \n A Collaborative Epidemiological Investigation into the Criminal Fake Artesunate Trade in South East Asia.\n \n \n \n\n\n \n Newton, P. N.; Fernandez, F. M.; Plancon, A.; Mildenhall, D. C.; Green, M. D.; Ziyong, L.; Christophel, E. M.; Phanouvong, S.; Howells, S.; McIntosh, E.; Laurin, P.; Blum, N.; Hampton, C. Y.; Faure, K.; Nyadong, L.; Soong, C. W. R.; Santoso, B.; Zhiguang, W.; Newton, J.; and Palmer, K.\n\n\n \n\n\n\n PLoS Medicine, 5(2): e32. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{newton_collaborative_2008,\n\ttitle = {A {Collaborative} {Epidemiological} {Investigation} into the {Criminal} {Fake} {Artesunate} {Trade} in {South} {East} {Asia}},\n\tvolume = {5},\n\tabstract = {BackgroundSince 1998 the serious public health problem in South East Asia of counterfeit artesunate, containing no or subtherapeutic amounts of the active antimalarial ingredient, has led to deaths from untreated malaria, reduced confidence in this vital drug, large economic losses for the legitimate manufacturers, and concerns that artemisinin resistance might be engendered.Methods and FindingsWith evidence of a deteriorating situation, a group of police, criminal analysts, chemists, palynologists, and health workers collaborated to determine the source of these counterfeits under the auspices of the International Criminal Police Organization (INTERPOL) and the Western Pacific World Health Organization Regional Office. A total of 391 samples of genuine and counterfeit artesunate collected in Vietnam (75), Cambodia (48), Lao PDR (115), Myanmar (Burma) (137) and the Thai/Myanmar border (16), were available for analysis. Sixteen different fake hologram types were identified. High-performance liquid chromatography and/or mass spectrometry confirmed that all specimens thought to be counterfeit (195/391, 49.9\\%) on the basis of packaging contained no or small quantities of artesunate (up to 12 mg per tablet as opposed to ∼ 50 mg per genuine tablet). Chemical analysis demonstrated a wide diversity of wrong active ingredients, including banned pharmaceuticals, such as metamizole, and safrole, a carcinogen, and raw material for manufacture of methylenedioxymethamphetamine (‘ecstasy'). Evidence from chemical, mineralogical, biological, and packaging analysis suggested that at least some of the counterfeits were manufactured in southeast People's Republic of China. This evidence prompted the Chinese Government to act quickly against the criminal traders with arrests and seizures.ConclusionsAn international multi-disciplinary group obtained evidence that some of the counterfeit artesunate was manufactured in China, and this prompted a criminal investigation. International cross-disciplinary collaborations may be appropriate in the investigation of other serious counterfeit medicine public health problems elsewhere, but strengthening of international collaborations and forensic and drug regulatory authority capacity will be required.},\n\tnumber = {2},\n\tjournal = {PLoS Medicine},\n\tauthor = {Newton, Paul N. and Fernandez, Facundo M. and Plancon, Aline and Mildenhall, Dallas C. and Green, Michael D. and Ziyong, Li and Christophel, Eva Maria and Phanouvong, Souly and Howells, Stephen and McIntosh, Eric and Laurin, Paul and Blum, Nancy and Hampton, Christina Y. and Faure, Kevin and Nyadong, Leonard and Soong, C. W. Ray and Santoso, Budiono and Zhiguang, Wang and Newton, John and Palmer, Kevin},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {e32},\n}\n\n\n\n
\n
\n\n\n
\n BackgroundSince 1998 the serious public health problem in South East Asia of counterfeit artesunate, containing no or subtherapeutic amounts of the active antimalarial ingredient, has led to deaths from untreated malaria, reduced confidence in this vital drug, large economic losses for the legitimate manufacturers, and concerns that artemisinin resistance might be engendered.Methods and FindingsWith evidence of a deteriorating situation, a group of police, criminal analysts, chemists, palynologists, and health workers collaborated to determine the source of these counterfeits under the auspices of the International Criminal Police Organization (INTERPOL) and the Western Pacific World Health Organization Regional Office. A total of 391 samples of genuine and counterfeit artesunate collected in Vietnam (75), Cambodia (48), Lao PDR (115), Myanmar (Burma) (137) and the Thai/Myanmar border (16), were available for analysis. Sixteen different fake hologram types were identified. High-performance liquid chromatography and/or mass spectrometry confirmed that all specimens thought to be counterfeit (195/391, 49.9%) on the basis of packaging contained no or small quantities of artesunate (up to 12 mg per tablet as opposed to ∼ 50 mg per genuine tablet). Chemical analysis demonstrated a wide diversity of wrong active ingredients, including banned pharmaceuticals, such as metamizole, and safrole, a carcinogen, and raw material for manufacture of methylenedioxymethamphetamine (‘ecstasy'). Evidence from chemical, mineralogical, biological, and packaging analysis suggested that at least some of the counterfeits were manufactured in southeast People's Republic of China. This evidence prompted the Chinese Government to act quickly against the criminal traders with arrests and seizures.ConclusionsAn international multi-disciplinary group obtained evidence that some of the counterfeit artesunate was manufactured in China, and this prompted a criminal investigation. International cross-disciplinary collaborations may be appropriate in the investigation of other serious counterfeit medicine public health problems elsewhere, but strengthening of international collaborations and forensic and drug regulatory authority capacity will be required.\n
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\n \n\n \n \n \n \n \n Direct analysis in real time–time-of-flight mass spectrometry: Analysis of pesticide residues and environmental contaminants.\n \n \n \n\n\n \n Vaclavik, L.; Schurek, J.; Cajka, T.; and Hajslova, J.\n\n\n \n\n\n\n Chemicke Listy, 102: s324–s327. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_direct_2008,\n\ttitle = {Direct analysis in real time–time-of-flight mass spectrometry: {Analysis} of pesticide residues and environmental contaminants.},\n\tvolume = {102},\n\tjournal = {Chemicke Listy},\n\tauthor = {Vaclavik, L. and Schurek, J. and Cajka, T. and Hajslova, J.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {s324--s327},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n DART–TOFMS: A Challenging Approach in Rapid Monitoring of Brominated Flame Retardants in Environmental Matrices.\n \n \n \n\n\n \n Hajslova, J.; Vaclavik, L.; Pulkrabova, J.; Poustka, J.; and Cajka, T.\n\n\n \n\n\n\n Organohalogen Compounds, 70: 922–925. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{hajslova_darttofms:_2008,\n\ttitle = {{DART}–{TOFMS}: {A} {Challenging} {Approach} in {Rapid} {Monitoring} of {Brominated} {Flame} {Retardants} in {Environmental} {Matrices}},\n\tvolume = {70},\n\tjournal = {Organohalogen Compounds},\n\tauthor = {Hajslova, J. and Vaclavik, L. and Pulkrabova, J. and Poustka, J. and Cajka, T.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {922--925},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Detection of Chemical Warfare Agents on Surfaces Relevant to Homeland Security by Direct Analysis in Real-Time Spectrometry.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Connell, T.; and Nilles, J.\n\n\n \n\n\n\n American Laboratory, 40: 16–20. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{laramee_detection_2008,\n\ttitle = {Detection of {Chemical} {Warfare} {Agents} on {Surfaces} {Relevant} to {Homeland} {Security} by {Direct} {Analysis} in {Real}-{Time} {Spectrometry}.},\n\tvolume = {40},\n\turl = {http://www.americanlaboratory.com/913-Technical-Articles/757-Detection-of-Chemical-Warfare-Agents-on-Surfaces-Relevant-to-Homeland-Security-by-Direct-Analysis-in-Real-Time-Spectrometry/},\n\tabstract = {Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents, or that require solvent extraction, DART leaves the sample surface undisturbed.\n\nAnalysis of low-volatility, condensed-phase chemicals on surfaces has been an extremely difficult and long-standing objective in environmental monitoring. When target analytes possess picotorr vapor pressures, the problem of monitoring becomes formidable. As such, any noncontact sampling at atmospheric pressure that does not require solvents or wipes would be a technological breakthrough. In addition, the absence of sample preparation would allow extremely rapid analysis in time-critical situations. Today, such a technology is now available. It is known as Direct Analysis in Real Time1 or DART™ (JEOL USA, Inc., Peabody, MA).\n\nThe U.S. Army has been testing and developing DART since 2002 for the detection of chemical warfare agents on surfaces. Fast, safe, and accurate detection of chemical agents is critical for protection, security, and decision-making. Sample preparation is seldom a requirement with DART, since the contaminated surface is simply analyzed directly using a plume of gaseous Rydberg atoms. Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents,2 or that require solvent extraction, DART leaves the sample surface undisturbed. This is a forensically worthy advantage. Recent findings of chemical warfare agent detection on militarily relevant surfaces in Homeland Security is a new approach to Warfighter safety and},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D and Connell, T.R. and Nilles, J.M.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {16--20},\n}\n\n\n\n
\n
\n\n\n
\n Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents, or that require solvent extraction, DART leaves the sample surface undisturbed. Analysis of low-volatility, condensed-phase chemicals on surfaces has been an extremely difficult and long-standing objective in environmental monitoring. When target analytes possess picotorr vapor pressures, the problem of monitoring becomes formidable. As such, any noncontact sampling at atmospheric pressure that does not require solvents or wipes would be a technological breakthrough. In addition, the absence of sample preparation would allow extremely rapid analysis in time-critical situations. Today, such a technology is now available. It is known as Direct Analysis in Real Time1 or DART™ (JEOL USA, Inc., Peabody, MA). The U.S. Army has been testing and developing DART since 2002 for the detection of chemical warfare agents on surfaces. Fast, safe, and accurate detection of chemical agents is critical for protection, security, and decision-making. Sample preparation is seldom a requirement with DART, since the contaminated surface is simply analyzed directly using a plume of gaseous Rydberg atoms. Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents,2 or that require solvent extraction, DART leaves the sample surface undisturbed. This is a forensically worthy advantage. Recent findings of chemical warfare agent detection on militarily relevant surfaces in Homeland Security is a new approach to Warfighter safety and\n
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\n \n\n \n \n \n \n \n Prevalence and Detection of Counterfeit Pharmaceuticals: A Mini Review.\n \n \n \n\n\n \n Fernandez, F. M.; Green, M. D.; and Newton, P. N.\n\n\n \n\n\n\n Ind. Eng. Chem. Res., 47(3): 585–590. 2008.\n 00052\n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{fernandez_prevalence_2008,\n\ttitle = {Prevalence and {Detection} of {Counterfeit} {Pharmaceuticals}: {A} {Mini} {Review}},\n\tvolume = {47},\n\tissn = {0888-5885},\n\tabstract = {Counterfeit drugs are a widespread, important public health problem. This mini review reports on the current status of the issue of drug counterfeiting, with special emphasis on our findings on counterfeit anti-infectives, and the new detection tools being developed to identify and characterize fake drugs.},\n\tnumber = {3},\n\tjournal = {Ind. Eng. Chem. Res.},\n\tauthor = {Fernandez, F. M. and Green, M. D. and Newton, P. N.},\n\tyear = {2008},\n\tnote = {00052},\n\tkeywords = {AccuTOF},\n\tpages = {585--590},\n}\n\n\n\n
\n
\n\n\n
\n Counterfeit drugs are a widespread, important public health problem. This mini review reports on the current status of the issue of drug counterfeiting, with special emphasis on our findings on counterfeit anti-infectives, and the new detection tools being developed to identify and characterize fake drugs.\n
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\n \n\n \n \n \n \n \n \n Planar Chromatography - Back to the future?.\n \n \n \n \n\n\n \n Morlock, G.; and Schwack, W.\n\n\n \n\n\n\n LC/GC Europe, 21(7): 366–371. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"PlanarPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{morlock_planar_2008,\n\ttitle = {Planar {Chromatography} - {Back} to the future?},\n\tvolume = {21},\n\turl = {http://chromatographyonline.findanalytichem.com/lcgc/article/articleDetail.jsp?id=531582&pageID=1&sk=&date=},\n\tabstract = {The importance of planar chromatography, particularly thin layer chromatography (TLC), is vastly underestimated. This article highlights\nthe unique attributes of high performance thin layer chromatography (HPTLC) compared with rival column techniques. Two advanced\napplications in planar chromatography are described to illustrate the potential of this technique: bioactivity-based detection and coupling\nwith mass spectrometry (MS).},\n\tnumber = {7},\n\tjournal = {LC/GC Europe},\n\tauthor = {Morlock, G. and Schwack, W.},\n\tyear = {2008},\n\tkeywords = {Thermo LTQ},\n\tpages = {366--371},\n}\n\n\n\n
\n
\n\n\n
\n The importance of planar chromatography, particularly thin layer chromatography (TLC), is vastly underestimated. This article highlights the unique attributes of high performance thin layer chromatography (HPTLC) compared with rival column techniques. Two advanced applications in planar chromatography are described to illustrate the potential of this technique: bioactivity-based detection and coupling with mass spectrometry (MS).\n
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\n \n\n \n \n \n \n \n An Integrated Wipe Sample Transport/Autosampler to Maximize Throughput for a Direct Analysis in Real Time (DART)/Orthogonal Acceleration, Time-of-Flight Mass Spectrometer (oa-TOFMS).\n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Environmental Forensics, 9(2): 137 – 143. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_integrated_2008,\n\ttitle = {An {Integrated} {Wipe} {Sample} {Transport}/{Autosampler} to {Maximize} {Throughput} for a {Direct} {Analysis} in {Real} {Time} ({DART})/{Orthogonal} {Acceleration}, {Time}-of-{Flight} {Mass} {Spectrometer} (oa-{TOFMS})},\n\tvolume = {9},\n\tissn = {1527-5922},\n\tabstract = {A wipe sample transport was designed and built to meet two objectives: to simplify collection, storage, and transport of cotton swab wipe samples and to provide a sample train of 72 wipe samples nearly ready for analysis when the swabs reach the laboratory. The cotton swabs are mounted on an Al rod that is the sample support for an autosampler used to perform direct analysis in real time (DART)/orthogonal acceleration, time-of-flight mass spectrometry (oa-TOFMS) analyses. The goal is for one analyst to analyze 1000 wipe samples mounted on 14 Al rods in one 8-h shift.},\n\tnumber = {2},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, Andrew H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {137 -- 143},\n}\n\n\n\n
\n
\n\n\n
\n A wipe sample transport was designed and built to meet two objectives: to simplify collection, storage, and transport of cotton swab wipe samples and to provide a sample train of 72 wipe samples nearly ready for analysis when the swabs reach the laboratory. The cotton swabs are mounted on an Al rod that is the sample support for an autosampler used to perform direct analysis in real time (DART)/orthogonal acceleration, time-of-flight mass spectrometry (oa-TOFMS) analyses. The goal is for one analyst to analyze 1000 wipe samples mounted on 14 Al rods in one 8-h shift.\n
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\n \n\n \n \n \n \n \n Quantification of small molecules in plasma with direct analysis in real time tandem mass spectrometry, without sample preparation and liquid chromatographic separation.\n \n \n \n\n\n \n Zhao, Y.; Lam, M.; Wu, D.; and R., M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 22(20): 3217–3224. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{zhao_quantification_2008,\n\ttitle = {Quantification of small molecules in plasma with direct analysis in real time tandem mass spectrometry, without sample preparation and liquid chromatographic separation.},\n\tvolume = {22},\n\tabstract = {Recently, a new ion source, Direct Analysis in Real Time (DART), has been introduced which allows direct biological sample introduction into a mass spectrometry (MS) system. The elimination of conventionally required sample preparation and separation by high-performance liquid chromatography (HPLC) prior to MS analysis represents a remarkable opportunity to reduce assay turn-around time, environmental impact and capital/manpower investment. This new technology initially was used in various qualitative applications to directly detect chemicals on solid surfaces, in liquids and gases. In this study, a DART source operating under ambient pressure with ground potential was installed onto a Sciex 4000 tandem mass spectrometer and employed in the sample analysis of plasma based on direct introduction into the DART-MS/MS system. Reasonable precision and accuracy (\\%CV and \\%Error, both {\\textless}10\\%) were achieved of a significant number of compounds tested in biological fluids. In addition, the limit of detection for 80\\% of the tested compounds reached 5 ng/mL or lower which is sufficient for pharmaceutical drug discovery support. Finally, experimental conditions that significantly impacted assay performance were investigated with respect to optimization and limitation. Because of its simplicity, fast data acquisition (3-5 s) and low cost, DART has the potential to significantly impact quantitative pharmaceutical analysis in biological matrices.},\n\tnumber = {20},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Zhao, Y. and Lam, M. and Wu, D. and R., Mak},\n\tyear = {2008},\n\tkeywords = {Applied Biosystems Triple Quad},\n\tpages = {3217--3224},\n}\n\n\n\n
\n
\n\n\n
\n Recently, a new ion source, Direct Analysis in Real Time (DART), has been introduced which allows direct biological sample introduction into a mass spectrometry (MS) system. The elimination of conventionally required sample preparation and separation by high-performance liquid chromatography (HPLC) prior to MS analysis represents a remarkable opportunity to reduce assay turn-around time, environmental impact and capital/manpower investment. This new technology initially was used in various qualitative applications to directly detect chemicals on solid surfaces, in liquids and gases. In this study, a DART source operating under ambient pressure with ground potential was installed onto a Sciex 4000 tandem mass spectrometer and employed in the sample analysis of plasma based on direct introduction into the DART-MS/MS system. Reasonable precision and accuracy (%CV and %Error, both \\textless10%) were achieved of a significant number of compounds tested in biological fluids. In addition, the limit of detection for 80% of the tested compounds reached 5 ng/mL or lower which is sufficient for pharmaceutical drug discovery support. Finally, experimental conditions that significantly impacted assay performance were investigated with respect to optimization and limitation. Because of its simplicity, fast data acquisition (3-5 s) and low cost, DART has the potential to significantly impact quantitative pharmaceutical analysis in biological matrices.\n
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\n \n\n \n \n \n \n \n Cuticular hydrocarbon analysis of an awake behaving fly using direct analysis in real-time time-of-flight mass spectrometry.\n \n \n \n\n\n \n Yew, J. Y.; Cody, R. B.; and Kravitz, E. A.\n\n\n \n\n\n\n Proceedings of the National Academy of Sciences, 105(20): 7135–7140. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{yew_cuticular_2008,\n\ttitle = {Cuticular hydrocarbon analysis of an awake behaving fly using direct analysis in real-time time-of-flight mass spectrometry},\n\tvolume = {105},\n\tdoi = {10.1073/pnas.0802692105},\n\tabstract = {In mammals and insects, pheromones strongly influence social behaviors such as aggression and mate recognition. In , pheromones in the form of cuticular hydrocarbons play prominent roles in courtship. GC/MS is the primary analytical tool currently used to study cuticular hydrocarbons. Although GC/MS is highly reproducible and sensitive, it requires that the fly be placed in a lethal solution of organic solvent, thereby impeding further behavioral studies. We present a technique for the analysis of hydrocarbons and other surface molecules from live animals by using direct analysis in real-time (DART) MS. Cuticular hydrocarbons were sampled from the surface of a restrained, awake behaving fly by using several brief, carefully controlled depressions of the abdomen with a small steel probe. DART mass spectral analysis of the probe detected ions with mass-to-charge ratio (/) of the protonated molecule corresponding to many of the previously identified unsaturated hydrocarbons. Six additional cuticular hydrocarbons also were identified. Consistent with previous GC/MS studies, male and female differences in chemical composition were evident. Spatial differences in the expression profile also were observed on males. Sampling from an individual female first as a virgin and then 45 and 90 min after successful copulation showed that mass signals likely to correspond to -vaccenyl acetate, tricosene, and pentacosene increased in relative intensity after courtship. This method provides near-instantaneous analysis of an individual animal's chemical profile in parallel with behavioral studies and could be extended to other models of pheromone-mediated behavior.},\n\tnumber = {20},\n\tjournal = {Proceedings of the National Academy of Sciences},\n\tauthor = {Yew, Joanne Y. and Cody, Robert B. and Kravitz, Edward A.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {7135--7140},\n}\n\n\n\n
\n
\n\n\n
\n In mammals and insects, pheromones strongly influence social behaviors such as aggression and mate recognition. In , pheromones in the form of cuticular hydrocarbons play prominent roles in courtship. GC/MS is the primary analytical tool currently used to study cuticular hydrocarbons. Although GC/MS is highly reproducible and sensitive, it requires that the fly be placed in a lethal solution of organic solvent, thereby impeding further behavioral studies. We present a technique for the analysis of hydrocarbons and other surface molecules from live animals by using direct analysis in real-time (DART) MS. Cuticular hydrocarbons were sampled from the surface of a restrained, awake behaving fly by using several brief, carefully controlled depressions of the abdomen with a small steel probe. DART mass spectral analysis of the probe detected ions with mass-to-charge ratio (/) of the protonated molecule corresponding to many of the previously identified unsaturated hydrocarbons. Six additional cuticular hydrocarbons also were identified. Consistent with previous GC/MS studies, male and female differences in chemical composition were evident. Spatial differences in the expression profile also were observed on males. Sampling from an individual female first as a virgin and then 45 and 90 min after successful copulation showed that mass signals likely to correspond to -vaccenyl acetate, tricosene, and pentacosene increased in relative intensity after courtship. This method provides near-instantaneous analysis of an individual animal's chemical profile in parallel with behavioral studies and could be extended to other models of pheromone-mediated behavior.\n
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\n \n\n \n \n \n \n \n Solvent Effect on the Self-Assembled Structure of an Amphiphilic Perylene Diimide Derivative.\n \n \n \n\n\n \n Yang, X.; Xu, X.; and Ji, H.\n\n\n \n\n\n\n Journal of Physical Chemistry B, 112: 7196–7202. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{yang_solvent_2008,\n\ttitle = {Solvent {Effect} on the {Self}-{Assembled} {Structure} of an {Amphiphilic} {Perylene} {Diimide} {Derivative}},\n\tvolume = {112},\n\tdoi = {10.1021/jp801413k},\n\tabstract = {An amphiphilic electron-deficient (n-type) perylene diimide has been synthesized and characterized. The diimide\ncontains a hydrophobic long chain on one end and a hydrophilic ethoxy chain on the other. The self-assembly\nof this molecule in polar and nonpolar solvents has been demonstrated by concentration- and temperaturedependent\nabsorption and fluorescence spectroscopies. Analysis of the spectral change for the aggregates\nshows typical J-aggregates for structures precipitated from polar solvents and H-aggregates for structures\nprecipitated from nonpolar solvents. SEM and TEM micrographs and a suggested packing scheme, compatible\nwith the formation of nanostrips in nonpolar solvents and nanofibers in polar solvents, are presented.},\n\tjournal = {Journal of Physical Chemistry B},\n\tauthor = {Yang, Xin and Xu, Xiaohe and Ji, Hai-Feng},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {7196--7202},\n}\n\n\n\n
\n
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\n An amphiphilic electron-deficient (n-type) perylene diimide has been synthesized and characterized. The diimide contains a hydrophobic long chain on one end and a hydrophilic ethoxy chain on the other. The self-assembly of this molecule in polar and nonpolar solvents has been demonstrated by concentration- and temperaturedependent absorption and fluorescence spectroscopies. Analysis of the spectral change for the aggregates shows typical J-aggregates for structures precipitated from polar solvents and H-aggregates for structures precipitated from nonpolar solvents. SEM and TEM micrographs and a suggested packing scheme, compatible with the formation of nanostrips in nonpolar solvents and nanofibers in polar solvents, are presented.\n
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\n \n\n \n \n \n \n \n Implementation of DART and DESI Ionization on a Fieldable Mass Spectrometer.\n \n \n \n\n\n \n Wells, J. M.; Roth, M. J.; Keil, A. D.; Grossenbacher, J. W.; Justes, D. R.; Patterson, G. E.; and Barket Jr., D. J.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 19(10): 1419–1424. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{wells_implementation_2008,\n\ttitle = {Implementation of {DART} and {DESI} {Ionization} on a {Fieldable} {Mass} {Spectrometer}},\n\tvolume = {19},\n\tdoi = {10.1016/j.jasms.2008.06.028},\n\tabstract = {A recently developed prototype mobile laboratory mass spectrometer, incorporating an atmospheric pressure ionization (API) interface, is described. This system takes advantage of the small size, lower voltage requirements, and tandem MS abilities of the cylindrical ion trap mass analyzer. The prototype API MS uses small, low-power pumps to fit into a 0.1-m3 self-contained package weighing less than 45 kg. This instrument has been adapted to allow rapid interfacing to electrospray ionization, desorption electrospray ionization, and direct analysis in real-time sources. Initial data indicate that these techniques provide rapid detection and identification of compounds for quality control, homeland security, and forensic applications. In addition, this instrument is self-contained and compact, making it ideally extensible to mobile laboratory and field analyses. Initial MS and MS/MS data for analyses of drugs, food, and explosives are presented herein.},\n\tnumber = {10},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Wells, J. Mitchell and Roth, Michael J. and Keil, Adam D. and Grossenbacher, John W. and Justes, Dina R. and Patterson, Garth E. and Barket Jr., Dennis J.},\n\tyear = {2008},\n\tkeywords = {Griffin},\n\tpages = {1419--1424},\n}\n\n\n\n
\n
\n\n\n
\n A recently developed prototype mobile laboratory mass spectrometer, incorporating an atmospheric pressure ionization (API) interface, is described. This system takes advantage of the small size, lower voltage requirements, and tandem MS abilities of the cylindrical ion trap mass analyzer. The prototype API MS uses small, low-power pumps to fit into a 0.1-m3 self-contained package weighing less than 45 kg. This instrument has been adapted to allow rapid interfacing to electrospray ionization, desorption electrospray ionization, and direct analysis in real-time sources. Initial data indicate that these techniques provide rapid detection and identification of compounds for quality control, homeland security, and forensic applications. In addition, this instrument is self-contained and compact, making it ideally extensible to mobile laboratory and field analyses. Initial MS and MS/MS data for analyses of drugs, food, and explosives are presented herein.\n
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\n \n\n \n \n \n \n \n Direct analysis in real time–time-of-flight mass spectrometry: Analysis of pesticide residues and environmental contaminants.\n \n \n \n\n\n \n Vaclavik, L.; Schurek, J.; Cajka, T.; and Hajslova, J.\n\n\n \n\n\n\n Chemicke Listy, 102: s324–s327. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_direct_2008,\n\ttitle = {Direct analysis in real time–time-of-flight mass spectrometry: {Analysis} of pesticide residues and environmental contaminants.},\n\tvolume = {102},\n\tjournal = {Chemicke Listy},\n\tauthor = {Vaclavik, L. and Schurek, J. and Cajka, T. and Hajslova, J.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {s324--s327},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n HRMS Directly From TLC Slides. A Powerful Tool for Rapid Analysis of Organic Mixtures.\n \n \n \n\n\n \n Smith, N. J.; Domin, M. A.; and Scott, L. T.\n\n\n \n\n\n\n Organic Letters, 10(16): 3493–3496. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{smith_hrms_2008,\n\ttitle = {{HRMS} {Directly} {From} {TLC} {Slides}. {A} {Powerful} {Tool} for {Rapid} {Analysis} of {Organic} {Mixtures}},\n\tvolume = {10},\n\tissn = {1523-7060},\n\tabstract = {Abstract: High-resolution mass spectra (HRMS) of individual spots on thin-layer chromatography (TLC) slides can now be obtained quickly and easily at atmospheric pressure, with zero sample preparation, using commercially available instrumentation. The method is complementary to GC mass spectrometry but is not limited to compounds of high volatility and high thermal stability. TLC HRMS can be used to monitor chemical reactions in real time and has the capacity thereby to accelerate significantly the pace of synthetic organic chemistry.},\n\tnumber = {16},\n\tjournal = {Organic Letters},\n\tauthor = {Smith, Natalie J. and Domin, Marek A. and Scott, Lawrence T.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {3493--3496},\n}\n\n\n\n
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\n Abstract: High-resolution mass spectra (HRMS) of individual spots on thin-layer chromatography (TLC) slides can now be obtained quickly and easily at atmospheric pressure, with zero sample preparation, using commercially available instrumentation. The method is complementary to GC mass spectrometry but is not limited to compounds of high volatility and high thermal stability. TLC HRMS can be used to monitor chemical reactions in real time and has the capacity thereby to accelerate significantly the pace of synthetic organic chemistry.\n
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\n \n\n \n \n \n \n \n Control of Strobilurin Fungicides in Wheat Using Direct Analysis in Real Time Accurate Time-of-Flight and Desorption Electrospray Ionization Linear Ion Trap Mass Spectrometry.\n \n \n \n\n\n \n Schurek, J.; Vaclavik, L.; Hooijerink, H.; Lacina, O.; Poustka, J.; Sharman, M.; Caldow, M.; Nielen, M. W. F.; and Hajslova, J.\n\n\n \n\n\n\n Analytical Chemistry, 80(24): 9567–9575. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{schurek_control_2008,\n\ttitle = {Control of {Strobilurin} {Fungicides} in {Wheat} {Using} {Direct} {Analysis} in {Real} {Time} {Accurate} {Time}-of-{Flight} and {Desorption} {Electrospray} {Ionization} {Linear} {Ion} {Trap} {Mass} {Spectrometry}},\n\tvolume = {80},\n\tdoi = {10.1021/ac8018137},\n\tabstract = {Ambient mass spectrometry has been used for the analysis of strobilurin residues in wheat. The use of this novel, challenging technique, employing a direct analysis in a real time (DART) ion-source coupled with a time-of-flight mass spectrometer (TOF MS) and a desorption electrospray ionization (DESI) source coupled with a linear ion trap tandem MS (LIT MSn), permitted a direct screen of the occurrence of target fungicides in treated grains in less than 1 min. For quantification purpose by DART-TOF MS, an ethyl acetate extract had to be prepared. With the use of a prochloraz as an internal standard, the performance characteristics obtained by repeated analyses of extract, spiked at 50 μg kg−1 with six strobilurins (azoxystrobin, picoxystrobin, dimoxystrobin, kresoxim-methyl, pyraclostrobin, and trifloxystrobin), were in the following range: recoveries 78−92\\%, repeatability (RSD) 8−15\\%, linearity (R2) 0.9900−0.9978. The analysis of wheat with incurred strobilurin residues demonstrated good trueness of data generated by the DART-TOF MS method; the results were in a good agreement with those obtained by the conventional approach, i.e., by the QuEChERS sample handling procedure followed by identification/quantification employing high-performance liquid chromatography coupled with tandem mass spectrometry (LC−MS/MS). Tandem mass spectrometry using DESI-LIT MSn provided a sufficient number of product ions for confirmation of the identity of azoxystrobin and pyraclostrobin in incurred wheat samples.},\n\tnumber = {24},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Schurek, Jakub and Vaclavik, Lukas and Hooijerink, H. and Lacina, Ondrej and Poustka, Jan and Sharman, Matthew and Caldow, Marianne and Nielen, Michel W. F. and Hajslova, Jana},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {9567--9575},\n}\n\n\n\n
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\n Ambient mass spectrometry has been used for the analysis of strobilurin residues in wheat. The use of this novel, challenging technique, employing a direct analysis in a real time (DART) ion-source coupled with a time-of-flight mass spectrometer (TOF MS) and a desorption electrospray ionization (DESI) source coupled with a linear ion trap tandem MS (LIT MSn), permitted a direct screen of the occurrence of target fungicides in treated grains in less than 1 min. For quantification purpose by DART-TOF MS, an ethyl acetate extract had to be prepared. With the use of a prochloraz as an internal standard, the performance characteristics obtained by repeated analyses of extract, spiked at 50 μg kg−1 with six strobilurins (azoxystrobin, picoxystrobin, dimoxystrobin, kresoxim-methyl, pyraclostrobin, and trifloxystrobin), were in the following range: recoveries 78−92%, repeatability (RSD) 8−15%, linearity (R2) 0.9900−0.9978. The analysis of wheat with incurred strobilurin residues demonstrated good trueness of data generated by the DART-TOF MS method; the results were in a good agreement with those obtained by the conventional approach, i.e., by the QuEChERS sample handling procedure followed by identification/quantification employing high-performance liquid chromatography coupled with tandem mass spectrometry (LC−MS/MS). Tandem mass spectrometry using DESI-LIT MSn provided a sufficient number of product ions for confirmation of the identity of azoxystrobin and pyraclostrobin in incurred wheat samples.\n
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\n \n\n \n \n \n \n \n Pharmacokinetics of Cyanidin and Anti-Influenza Phytonutrients in an Elder Berry Extract Determined by LC-MS and DART TOF-MS.\n \n \n \n\n\n \n Roschek Jr., B.; and Alberte, R.\n\n\n \n\n\n\n Online Journal of Pharmacology and Pharmacokinetics, 4: 1–17. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{roschek_jr._pharmacokinetics_2008,\n\ttitle = {Pharmacokinetics of {Cyanidin} and {Anti}-{Influenza} {Phytonutrients} in an {Elder} {Berry} {Extract} {Determined} by {LC}-{MS} and {DART} {TOF}-{MS}},\n\tvolume = {4},\n\tjournal = {Online Journal of Pharmacology and Pharmacokinetics},\n\tauthor = {Roschek Jr., B. and Alberte, R.S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {1--17},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n A Collaborative Epidemiological Investigation into the Criminal Fake Artesunate Trade in South East Asia.\n \n \n \n\n\n \n Newton, P. N.; Fernandez, F. M.; Plancon, A.; Mildenhall, D. C.; Green, M. D.; Ziyong, L.; Christophel, E. M.; Phanouvong, S.; Howells, S.; McIntosh, E.; Laurin, P.; Blum, N.; Hampton, C. Y.; Faure, K.; Nyadong, L.; Soong, C. W. R.; Santoso, B.; Zhiguang, W.; Newton, J.; and Palmer, K.\n\n\n \n\n\n\n PLoS Medicine, 5(2): e32. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{newton_collaborative_2008,\n\ttitle = {A {Collaborative} {Epidemiological} {Investigation} into the {Criminal} {Fake} {Artesunate} {Trade} in {South} {East} {Asia}},\n\tvolume = {5},\n\tabstract = {BackgroundSince 1998 the serious public health problem in South East Asia of counterfeit artesunate, containing no or subtherapeutic amounts of the active antimalarial ingredient, has led to deaths from untreated malaria, reduced confidence in this vital drug, large economic losses for the legitimate manufacturers, and concerns that artemisinin resistance might be engendered.Methods and FindingsWith evidence of a deteriorating situation, a group of police, criminal analysts, chemists, palynologists, and health workers collaborated to determine the source of these counterfeits under the auspices of the International Criminal Police Organization (INTERPOL) and the Western Pacific World Health Organization Regional Office. A total of 391 samples of genuine and counterfeit artesunate collected in Vietnam (75), Cambodia (48), Lao PDR (115), Myanmar (Burma) (137) and the Thai/Myanmar border (16), were available for analysis. Sixteen different fake hologram types were identified. High-performance liquid chromatography and/or mass spectrometry confirmed that all specimens thought to be counterfeit (195/391, 49.9\\%) on the basis of packaging contained no or small quantities of artesunate (up to 12 mg per tablet as opposed to ∼ 50 mg per genuine tablet). Chemical analysis demonstrated a wide diversity of wrong active ingredients, including banned pharmaceuticals, such as metamizole, and safrole, a carcinogen, and raw material for manufacture of methylenedioxymethamphetamine (‘ecstasy'). Evidence from chemical, mineralogical, biological, and packaging analysis suggested that at least some of the counterfeits were manufactured in southeast People's Republic of China. This evidence prompted the Chinese Government to act quickly against the criminal traders with arrests and seizures.ConclusionsAn international multi-disciplinary group obtained evidence that some of the counterfeit artesunate was manufactured in China, and this prompted a criminal investigation. International cross-disciplinary collaborations may be appropriate in the investigation of other serious counterfeit medicine public health problems elsewhere, but strengthening of international collaborations and forensic and drug regulatory authority capacity will be required.},\n\tnumber = {2},\n\tjournal = {PLoS Medicine},\n\tauthor = {Newton, Paul N. and Fernandez, Facundo M. and Plancon, Aline and Mildenhall, Dallas C. and Green, Michael D. and Ziyong, Li and Christophel, Eva Maria and Phanouvong, Souly and Howells, Stephen and McIntosh, Eric and Laurin, Paul and Blum, Nancy and Hampton, Christina Y. and Faure, Kevin and Nyadong, Leonard and Soong, C. W. Ray and Santoso, Budiono and Zhiguang, Wang and Newton, John and Palmer, Kevin},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {e32},\n}\n\n\n\n
\n
\n\n\n
\n BackgroundSince 1998 the serious public health problem in South East Asia of counterfeit artesunate, containing no or subtherapeutic amounts of the active antimalarial ingredient, has led to deaths from untreated malaria, reduced confidence in this vital drug, large economic losses for the legitimate manufacturers, and concerns that artemisinin resistance might be engendered.Methods and FindingsWith evidence of a deteriorating situation, a group of police, criminal analysts, chemists, palynologists, and health workers collaborated to determine the source of these counterfeits under the auspices of the International Criminal Police Organization (INTERPOL) and the Western Pacific World Health Organization Regional Office. A total of 391 samples of genuine and counterfeit artesunate collected in Vietnam (75), Cambodia (48), Lao PDR (115), Myanmar (Burma) (137) and the Thai/Myanmar border (16), were available for analysis. Sixteen different fake hologram types were identified. High-performance liquid chromatography and/or mass spectrometry confirmed that all specimens thought to be counterfeit (195/391, 49.9%) on the basis of packaging contained no or small quantities of artesunate (up to 12 mg per tablet as opposed to ∼ 50 mg per genuine tablet). Chemical analysis demonstrated a wide diversity of wrong active ingredients, including banned pharmaceuticals, such as metamizole, and safrole, a carcinogen, and raw material for manufacture of methylenedioxymethamphetamine (‘ecstasy'). Evidence from chemical, mineralogical, biological, and packaging analysis suggested that at least some of the counterfeits were manufactured in southeast People's Republic of China. This evidence prompted the Chinese Government to act quickly against the criminal traders with arrests and seizures.ConclusionsAn international multi-disciplinary group obtained evidence that some of the counterfeit artesunate was manufactured in China, and this prompted a criminal investigation. International cross-disciplinary collaborations may be appropriate in the investigation of other serious counterfeit medicine public health problems elsewhere, but strengthening of international collaborations and forensic and drug regulatory authority capacity will be required.\n
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\n \n\n \n \n \n \n \n Analysis of hairy root culture of Rauvolfia serpentina using direct analysis in real time mass spectrometric technique.\n \n \n \n\n\n \n Madhusudanan, K. P.; Banerjee, S.; Khanuja, S. P. S.; and Chattopadhyay, S. K.\n\n\n \n\n\n\n Biomedical Chromatography, 22(6): 596–600. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{madhusudanan_analysis_2008,\n\ttitle = {Analysis of hairy root culture of {Rauvolfia} serpentina using direct analysis in real time mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the hairy root culture of Rauvolfia serpentina. The intact hairy roots were analyzed by holding them in the gap between the DART source and the mass spectrometer for measurements. Two nitrogen-containing compounds, vomilenine and reserpine, were characterized from the analysis of the hairy roots almost instantaneously. The confirmation of the structures of the identified compounds was made through their accurate molecular formula determinations. This is the first report of the application of DART technique for the characterization of compounds that are expressed in the hairy root cultures of Rauvolfia serpentina. Moreover, this also constitutes the first report of expression of reserpine in the hairy root culture of Rauvolfia serpentina.},\n\tnumber = {6},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Madhusudanan, K. P. and Banerjee, Suchitra and Khanuja, Suman P. S. and Chattopadhyay, Sunil K.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {596--600},\n}\n\n\n\n
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\n The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the hairy root culture of Rauvolfia serpentina. The intact hairy roots were analyzed by holding them in the gap between the DART source and the mass spectrometer for measurements. Two nitrogen-containing compounds, vomilenine and reserpine, were characterized from the analysis of the hairy roots almost instantaneously. The confirmation of the structures of the identified compounds was made through their accurate molecular formula determinations. This is the first report of the application of DART technique for the characterization of compounds that are expressed in the hairy root cultures of Rauvolfia serpentina. Moreover, this also constitutes the first report of expression of reserpine in the hairy root culture of Rauvolfia serpentina.\n
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\n \n\n \n \n \n \n \n Recent developments in ambient ionization techniques for analytical mass spectrometry.\n \n \n \n\n\n \n Harris, G. A.; Nyadong, L.; and Fernandez, F. M.\n\n\n \n\n\n\n Analyst, 133: 1297–1301. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{harris_recent_2008,\n\ttitle = {Recent developments in ambient ionization techniques for analytical mass spectrometry},\n\tvolume = {133},\n\tdoi = {DOI: 10.1039/b806810k},\n\tabstract = {Ambient ionization techniques enable the interrogation of a variety of samples in their native state by mass spectrometry, and are rapidly advancing all fields where screening for the presence of various analytes in a broadband and/or high-throughput fashion is desirable. This Highlight article provides an introduction to the field, and showcases the different ionization approaches reported since 2004, with an emphasis on themost recent developments.},\n\tjournal = {Analyst},\n\tauthor = {Harris, Glenn A. and Nyadong, Leonard and Fernandez, Facundo M.},\n\tyear = {2008},\n\tkeywords = {review; AccuTOF},\n\tpages = {1297--1301},\n}\n\n\n\n
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\n Ambient ionization techniques enable the interrogation of a variety of samples in their native state by mass spectrometry, and are rapidly advancing all fields where screening for the presence of various analytes in a broadband and/or high-throughput fashion is desirable. This Highlight article provides an introduction to the field, and showcases the different ionization approaches reported since 2004, with an emphasis on themost recent developments.\n
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\n \n\n \n \n \n \n \n DART–TOFMS: A Challenging Approach in Rapid Monitoring of Brominated Flame Retardants in Environmental Matrices.\n \n \n \n\n\n \n Hajslova, J.; Vaclavik, L.; Pulkrabova, J.; Poustka, J.; and Cajka, T.\n\n\n \n\n\n\n Organohalogen Compounds, 70: 922–925. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{hajslova_darttofms:_2008,\n\ttitle = {{DART}–{TOFMS}: {A} {Challenging} {Approach} in {Rapid} {Monitoring} of {Brominated} {Flame} {Retardants} in {Environmental} {Matrices}},\n\tvolume = {70},\n\tjournal = {Organohalogen Compounds},\n\tauthor = {Hajslova, J. and Vaclavik, L. and Pulkrabova, J. and Poustka, J. and Cajka, T.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {922--925},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Automated determination of precursor ion, product ion, and neutral loss compositions and deconvolution of composite mass spectra using ion correlation based on exact masses and relative isotopic abundances.\n \n \n \n\n\n \n Grange, A. H.; and Sovocool, G. W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 22(15): 2375–2390. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_automated_2008,\n\ttitle = {Automated determination of precursor ion, product ion, and neutral loss compositions and deconvolution of composite mass spectra using ion correlation based on exact masses and relative isotopic abundances},\n\tvolume = {22},\n\tissn = {1097-0231},\n\tabstract = {After an accidental, deliberate, or weather-related dispersion of chemicals (dispersive event), rapid determination of elemental compositions of ions in mass spectra is essential for tentatively identifying compounds. A direct analysis in real time (DART)® ion source interfaced to a JEOL AccuTOF® mass spectrometer provided exact masses accurate to within 2 mDa for most ions in full scan mass spectra and relative isotopic abundances (RIAs) accurate to within 15-20\\% for abundant isotopic ions. To speed determination of the correct composition for precursor ions and most product ions and neutral losses, a three-part software suite was developed. Starting with text files of m/z ratios and their ion abundances from mass spectra acquired at low, moderate, and high collision energies, the ion extraction program (IEP) compiled lists for the most abundant monoisotopic ions of their exact masses and the RIAs of the +1 and +2 isotopic peaks when abundance thresholds were met; precursor ions; and higher-mass, precursor-related species. The ion correlation program (ICP) determined if a precursor ion composition could yield a product ion and corresponding neutral loss compositions for each product ion in turn. The input and output program (IOP) provided the ICP with each precursor ion:product ion pair for multiple sets of error limits and prepared correlation lists for single or multiple precursor ions. The software determined the correct precursor ion compositions for 21 individual standards and for three- and seven-component mixtures. Partial deconvolution of composite mass spectra was achieved based on exact masses and RIAs, rather than on chromatography. Published in 2008 by John Wiley \\& Sons, Ltd.},\n\tnumber = {15},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H. and Sovocool, G. Wayne},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {2375--2390},\n}\n\n\n\n
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\n After an accidental, deliberate, or weather-related dispersion of chemicals (dispersive event), rapid determination of elemental compositions of ions in mass spectra is essential for tentatively identifying compounds. A direct analysis in real time (DART)® ion source interfaced to a JEOL AccuTOF® mass spectrometer provided exact masses accurate to within 2 mDa for most ions in full scan mass spectra and relative isotopic abundances (RIAs) accurate to within 15-20% for abundant isotopic ions. To speed determination of the correct composition for precursor ions and most product ions and neutral losses, a three-part software suite was developed. Starting with text files of m/z ratios and their ion abundances from mass spectra acquired at low, moderate, and high collision energies, the ion extraction program (IEP) compiled lists for the most abundant monoisotopic ions of their exact masses and the RIAs of the +1 and +2 isotopic peaks when abundance thresholds were met; precursor ions; and higher-mass, precursor-related species. The ion correlation program (ICP) determined if a precursor ion composition could yield a product ion and corresponding neutral loss compositions for each product ion in turn. The input and output program (IOP) provided the ICP with each precursor ion:product ion pair for multiple sets of error limits and prepared correlation lists for single or multiple precursor ions. The software determined the correct precursor ion compositions for 21 individual standards and for three- and seven-component mixtures. Partial deconvolution of composite mass spectra was achieved based on exact masses and RIAs, rather than on chromatography. Published in 2008 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n An Inexpensive Autosampler to Maximize Throughput for an Ion Source that Samples Surfaces in Open Air.\n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Environmental Forensics, 9(2): 127–136. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_inexpensive_2008,\n\ttitle = {An {Inexpensive} {Autosampler} to {Maximize} {Throughput} for an {Ion} {Source} that {Samples} {Surfaces} in {Open} {Air}},\n\tvolume = {9},\n\tissn = {1527-5922},\n\tabstract = {Rapid analysis of hundreds of wipe samples after a chemical dispersion event is essential for quickly characterizing the hazard posed to the public. An autosampler was built to pull 76 cotton swabs mounted along a 91-cm (3-foot) long, square aluminum rod in open air, through the ionizing beam of a direct analysis in real time (DART) ion source interfaced to a time-of-flight mass spectrometer. The rod and swabs mounted on N-scale model railroad flat cars were pulled through the ion source in 7.5 min by a 7-rpm motor. Percent relative standard deviations (\\%RSDs) of 18.5\\% to 21.3\\% were obtained for the chromatographic peak areas of the protonated molecule. Maximum-to-minimum ratios of the areas were between 2.22 and 2.71. Measured exact masses of analyte ions were always accurate to within 1 mDa.},\n\tnumber = {2},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, Andrew H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {127--136},\n}\n\n\n\n
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\n Rapid analysis of hundreds of wipe samples after a chemical dispersion event is essential for quickly characterizing the hazard posed to the public. An autosampler was built to pull 76 cotton swabs mounted along a 91-cm (3-foot) long, square aluminum rod in open air, through the ionizing beam of a direct analysis in real time (DART) ion source interfaced to a time-of-flight mass spectrometer. The rod and swabs mounted on N-scale model railroad flat cars were pulled through the ion source in 7.5 min by a 7-rpm motor. Percent relative standard deviations (%RSDs) of 18.5% to 21.3% were obtained for the chromatographic peak areas of the protonated molecule. Maximum-to-minimum ratios of the areas were between 2.22 and 2.71. Measured exact masses of analyte ions were always accurate to within 1 mDa.\n
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\n \n\n \n \n \n \n \n An Autosampler and Field Sample Carrier for Maximizing Throughput Using an Open-Air Source for MS.\n \n \n \n\n\n \n Grange, A.\n\n\n \n\n\n\n American Laboratory, 40(16): 11–13. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{grange_autosampler_2008,\n\ttitle = {An {Autosampler} and {Field} {Sample} {Carrier} for {Maximizing} {Throughput} {Using} an {Open}-{Air} {Source} for {MS}},\n\tvolume = {40},\n\tnumber = {16},\n\tjournal = {American Laboratory},\n\tauthor = {Grange, A.H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {11--13},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Analytical Strategy for Rapid Identification and Quantification of Lubricant Additives in Mineral Oil by High-Performance Thin-Layer Chromatography with UV Absorption and Fluorescence Detection Combined with Mass Spectrometry and Infrared Spectroscopy.\n \n \n \n\n\n \n Dytkiewitz, E.; and Morlock, G. E.\n\n\n \n\n\n\n Journal of AOAC International, 91(5): 1237–1244. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{dytkiewitz_analytical_2008,\n\ttitle = {Analytical {Strategy} for {Rapid} {Identification} and {Quantification} of {Lubricant} {Additives} in {Mineral} {Oil} by {High}-{Performance} {Thin}-{Layer} {Chromatography} with {UV} {Absorption} and {Fluorescence} {Detection} {Combined} with {Mass} {Spectrometry} and {Infrared} {Spectroscopy}},\n\tvolume = {91},\n\tabstract = {A simple strategy for identification and quantification of lubricant additives in mineral oil was demonstrated by high-performance thin-layer chromatography with UV absorption and fluorescence detection using various coupling options, e.g., with attenuated total reflectance infrared (ATR-IR) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, electrospray ionization mass spectrometry (ESI-MS), and direct analysis in real-time mass spectrometry (DART-MS). For the additives zinc bis(O,O'-diisobutyl dithiophosphate), zinc bis(O,O'-didodecyl dithiophosphate), and Anglamol 99®, 2 chromatographic systems were developed, i.e., a reversed-phase (RP) system on RP2 plates using an acetonitrile-based mobile phase and a normal-phase system on silica gel 60 plates using a toluene-based gradient. Densitometry was performed by absorption measurement at 220 nm. Repeatabilities (relative standard deviation, n = 6) between 2.2 and 5.5\\% and correlation coefficients {\\textgreater}0.9973 were highly satisfactory for the analysis of these additives in the mineral oil. Primuline reagent was used to improve the detection limit of the lipophilic additives by a factor of 2, followed by fluorescence measurement at UV 366/{\\textgreater}400 nm. For rapid identification by ATR-IR and FTIR, the respective additive zones on the plate were online extracted by an interface called ChromeXtract, concentrated, and directly applied for measurements in the wave number range of 4000–400 cm−1. Identification was confirmed by online ESI-MS within a minute using ChromeXtract and by DART-MS within seconds.},\n\tnumber = {5},\n\tjournal = {Journal of AOAC International},\n\tauthor = {Dytkiewitz, Elisabeth and Morlock, Gertrud E.},\n\tyear = {2008},\n\tkeywords = {Agilent Quad},\n\tpages = {1237--1244},\n}\n\n\n\n
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\n A simple strategy for identification and quantification of lubricant additives in mineral oil was demonstrated by high-performance thin-layer chromatography with UV absorption and fluorescence detection using various coupling options, e.g., with attenuated total reflectance infrared (ATR-IR) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, electrospray ionization mass spectrometry (ESI-MS), and direct analysis in real-time mass spectrometry (DART-MS). For the additives zinc bis(O,O'-diisobutyl dithiophosphate), zinc bis(O,O'-didodecyl dithiophosphate), and Anglamol 99®, 2 chromatographic systems were developed, i.e., a reversed-phase (RP) system on RP2 plates using an acetonitrile-based mobile phase and a normal-phase system on silica gel 60 plates using a toluene-based gradient. Densitometry was performed by absorption measurement at 220 nm. Repeatabilities (relative standard deviation, n = 6) between 2.2 and 5.5% and correlation coefficients \\textgreater0.9973 were highly satisfactory for the analysis of these additives in the mineral oil. Primuline reagent was used to improve the detection limit of the lipophilic additives by a factor of 2, followed by fluorescence measurement at UV 366/\\textgreater400 nm. For rapid identification by ATR-IR and FTIR, the respective additive zones on the plate were online extracted by an interface called ChromeXtract, concentrated, and directly applied for measurements in the wave number range of 4000–400 cm−1. Identification was confirmed by online ESI-MS within a minute using ChromeXtract and by DART-MS within seconds.\n
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\n \n\n \n \n \n \n \n GC–TOF-MS and DART–TOF-MS: Challenges in the Analysis of Soft Drinks.\n \n \n \n\n\n \n Cajka, T.; Vaclavik, L.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n LC/GC Europe, 21(5): 250–256. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cajka_gctof-ms_2008,\n\ttitle = {{GC}–{TOF}-{MS} and {DART}–{TOF}-{MS}: {Challenges} in the {Analysis} of {Soft} {Drinks}.},\n\tvolume = {21},\n\tabstract = {The potential of the time-of-flight mass spectrometry (TOF-MS) to innovate the analysis of soft drinks is described using gas chromatography (GC) hyphenated to TOF-MS and a new type of ion source, direct analysis in real time (DART), coupled to high-resolution TOF-MS. Head-space solid-phase microextraction (SPME) was used to isolate/extract volatile compounds followed by GC–TOF-MS to identify tainted compound in contaminated soft drinks. Direct analysis in real time–time-of-flight mass spectrometry (DART–TOF-MS) was also used to obtain negative and positive ion profiles of different soft drinks to determine the presence of various compounds, including antimicrobial preservatives, artificial sweeteners, acidulants and saccharides, without any sample preparation and chromatographic separation.},\n\tnumber = {5},\n\tjournal = {LC/GC Europe},\n\tauthor = {Cajka, T. and Vaclavik, L. and Riddellova, K. and Hajslova, J.},\n\tyear = {2008},\n\tkeywords = {AccuTOF; GC x GC; Leco Pegasus},\n\tpages = {250--256},\n}\n\n\n\n
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\n The potential of the time-of-flight mass spectrometry (TOF-MS) to innovate the analysis of soft drinks is described using gas chromatography (GC) hyphenated to TOF-MS and a new type of ion source, direct analysis in real time (DART), coupled to high-resolution TOF-MS. Head-space solid-phase microextraction (SPME) was used to isolate/extract volatile compounds followed by GC–TOF-MS to identify tainted compound in contaminated soft drinks. Direct analysis in real time–time-of-flight mass spectrometry (DART–TOF-MS) was also used to obtain negative and positive ion profiles of different soft drinks to determine the presence of various compounds, including antimicrobial preservatives, artificial sweeteners, acidulants and saccharides, without any sample preparation and chromatographic separation.\n
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\n \n\n \n \n \n \n \n Analysis of cell cultures of Taxus wallichiana using direct analysis in real-time mass spectrometric technique.\n \n \n \n\n\n \n Banerjee, S.; Madhusudanan, K. P.; Khanuja, S. P. S.; and Chattopadhyay, S. K.\n\n\n \n\n\n\n Biomedical Chromatography, 22(3): 250–253. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{banerjee_analysis_2008,\n\ttitle = {Analysis of cell cultures of {Taxus} wallichiana using direct analysis in real-time mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the calli of Taxus wallichiana. The intact callus samples were directly analyzed by holding them in the gap between the DART source and mass spectrometer for measurements. Five C-14 oxygenated taxoids were characterized from the analysis of the calli of the Taxus wallichiana almost instantaneously. The confirmation of the structures of the identified taxoids was made through their accurate molecular formula determinations.},\n\tnumber = {3},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Banerjee, Suchitra and Madhusudanan, K. P. and Khanuja, Suman P. S. and Chattopadhyay, Sunil K.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {250--253},\n}\n\n\n\n
\n
\n\n\n
\n The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the calli of Taxus wallichiana. The intact callus samples were directly analyzed by holding them in the gap between the DART source and mass spectrometer for measurements. Five C-14 oxygenated taxoids were characterized from the analysis of the calli of the Taxus wallichiana almost instantaneously. The confirmation of the structures of the identified taxoids was made through their accurate molecular formula determinations.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n Expression of tropane alkaloids in the hairy root culture of Atropa acuminata substantiated by DART mass spectrometric technique.\n \n \n \n\n\n \n Banerjee, S.; Madhusudanan, K. P.; Chattopadhyay, S. K.; Rahman, L. U.; and Khanuja, S. P. S.\n\n\n \n\n\n\n Biomedical Chromatography, 22(8): 830–834. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{banerjee_expression_2008,\n\ttitle = {Expression of tropane alkaloids in the hairy root culture of {Atropa} acuminata substantiated by {DART} mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\tabstract = {Agrobacterium rhizogenes-mediated hairy root cultures were established in Atropa acuminata. The chemical profiling of the hairy roots was carried out by a new mass spectrometric technique, direct analysis in real time (DART). The intact hairy roots were directly analyzed by holding them in the gap between the DART ion source and mass spectrometer. Two alkaloids, atropine and scopolamine, were characterized. The structural confirmation of the two alkaloids was made through their accurate molecular formula determinations. This is the first report of establishing hairy roots in A. acuminata as well as application of the DART technique for the chemical profiling of its hairy roots.},\n\tnumber = {8},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Banerjee, Suchitra and Madhusudanan, K. P. and Chattopadhyay, Sunil K. and Rahman, Laiq Ur and Khanuja, Suman P. S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {830--834},\n}\n\n\n\n
\n
\n\n\n
\n Agrobacterium rhizogenes-mediated hairy root cultures were established in Atropa acuminata. The chemical profiling of the hairy roots was carried out by a new mass spectrometric technique, direct analysis in real time (DART). The intact hairy roots were directly analyzed by holding them in the gap between the DART ion source and mass spectrometer. Two alkaloids, atropine and scopolamine, were characterized. The structural confirmation of the two alkaloids was made through their accurate molecular formula determinations. This is the first report of establishing hairy roots in A. acuminata as well as application of the DART technique for the chemical profiling of its hairy roots.\n
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\n \n\n \n \n \n \n \n Pharmacokinetic analysis of anti-allergy and anti-inflammation bioactives in a nettle (Urtica dioica) extract.\n \n \n \n\n\n \n Ayers, S.; Roschek, B. J.; Williams, J.; and Alberte, R.\n\n\n \n\n\n\n Online Journal of Pharmacology and PharmacoKinetics, 5: 6–21. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{ayers_pharmacokinetic_2008,\n\ttitle = {Pharmacokinetic analysis of anti-allergy and anti-inflammation bioactives in a nettle ({Urtica} dioica) extract.},\n\tvolume = {5},\n\tabstract = {Pharmacokinetic analyses were conducted using DART TOF-MS on the uptake of bioactive components present in a nettle (Urtica dioica) extract delivered orally as a lozenge. Previously adenine, synephrine, osthole, and nicotinamide were shown to be key bioactives contributing to the anti-inflammatory and anti-allergy properties of the nettle extract (Roschek et al, 2009). Average serum concentrations of adenine reached 35.2 nmol L-1, nicotinamide reached 8.7 nmol L-1, osthole reached 11.0 nmol L-1, and synephrine reached 107.4 nmol L-1. These serum levels are equivalent to 0.3\\%, 0.2\\%, 0.2\\%, and 1.6\\% oral bioavailability for adenine, synephrine, osthole and nicotinamide respectively. Urine concentrations for adenine, nicotinamide, synephrine, and osthole reached 4.9 nmol L-1, 2.5 nmol L-1, 6.6 nmol L-1, and 0.2 nmol L-1, respectively. The major pharmacokinetic parameters (Cmax, Tmax, T1/2) were determined and compared for serum and urine. For all three of the compounds, Cmax values decreased 2- to 16-fold in urine compared to serum, Tmax values increased 2- to 12-fold, and T1/2 values increased 2- to 10-fold. Molecular modeling revealed that these compounds were not likely to cross the blood-brain barrier, particularly important for the anti-histamine bioactives to ensure a non-drowsy activity. These results show that antiinflammatory and anti-allergenic compounds in nettle are readily absorbed into the body and excreted in the urine when a nettle extract is delivered orally as a lozenge. In addition, DART TOF-MS is useful in quantifying multiple components in biological matrices with little or no sample preparation.},\n\tjournal = {Online Journal of Pharmacology and PharmacoKinetics},\n\tauthor = {Ayers, S. and Roschek, B. Jr and Williams, J.M. and Alberte, R.S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {6--21},\n}\n\n\n\n
\n
\n\n\n
\n Pharmacokinetic analyses were conducted using DART TOF-MS on the uptake of bioactive components present in a nettle (Urtica dioica) extract delivered orally as a lozenge. Previously adenine, synephrine, osthole, and nicotinamide were shown to be key bioactives contributing to the anti-inflammatory and anti-allergy properties of the nettle extract (Roschek et al, 2009). Average serum concentrations of adenine reached 35.2 nmol L-1, nicotinamide reached 8.7 nmol L-1, osthole reached 11.0 nmol L-1, and synephrine reached 107.4 nmol L-1. These serum levels are equivalent to 0.3%, 0.2%, 0.2%, and 1.6% oral bioavailability for adenine, synephrine, osthole and nicotinamide respectively. Urine concentrations for adenine, nicotinamide, synephrine, and osthole reached 4.9 nmol L-1, 2.5 nmol L-1, 6.6 nmol L-1, and 0.2 nmol L-1, respectively. The major pharmacokinetic parameters (Cmax, Tmax, T1/2) were determined and compared for serum and urine. For all three of the compounds, Cmax values decreased 2- to 16-fold in urine compared to serum, Tmax values increased 2- to 12-fold, and T1/2 values increased 2- to 10-fold. Molecular modeling revealed that these compounds were not likely to cross the blood-brain barrier, particularly important for the anti-histamine bioactives to ensure a non-drowsy activity. These results show that antiinflammatory and anti-allergenic compounds in nettle are readily absorbed into the body and excreted in the urine when a nettle extract is delivered orally as a lozenge. In addition, DART TOF-MS is useful in quantifying multiple components in biological matrices with little or no sample preparation.\n
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\n \n\n \n \n \n \n \n Flammable Solvent Detection Directly from Common Household Materials Yields Differential Results: An Application of Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n\n\n \n Coates, C.; Coticone, S.; Barreto, P.; Cobb, A.; Cody, R.; and Barreto, J.\n\n\n \n\n\n\n Journal of Forensic Identification, 58(6): 624 –631. 2008.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{coates_flammable_2008,\n\ttitle = {Flammable {Solvent} {Detection} {Directly} from {Common} {Household} {Materials} {Yields} {Differential} {Results}: {An} {Application} of {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}.},\n\tvolume = {58},\n\tabstract = {In this study, we report the analysis of volatile flammable solvents present on common household materials by employing a mass spectrometric technique that incorporates a novel ion source: direct analysis in real time (DART). We used the new ionization method to directly volatilize and ionize a solvent sample, which was then sent to a high-resolution mass spectrometer. We analyzed two common flammable solvents, gasoline and paint thinner, directly from cotton, drywall, and nylon materials. DART sampling occurs directly from the chemical matrix of the common household materials, with no sample preparation needed. Cotton swabs containing solvents, gasoline, and paint thinner produced characteristic signature peaks. In addition, different substrates (cotton, nylon, and drywall) containing gasoline and paint thinner were tested to determine the possibility of detecting aromatic and aliphatic solvents from a complex chemical matrix using DART technology. Specifically, we discovered that nylon was a poor substrate for DART detection of gasoline, with the entire signal disappearing in only two hours. Surprisingly, DART easily detected paint thinner on nylon even after 16 hours. Notably, DART was effective in all other cases, detecting both paint thinner and gasoline over a 0- to 16-hour period on cotton and drywall substrates. We conclude that DART sample detection directly from household materials is not simply a matter of vapor pressure; instead, direct DART detection probably dependent on a complex interaction involving adsorption effects or matrix effects on the ionization mechanism of the flammable solvents. We demonstrate and report a potentially simple, powerful, and useful alternative to traditional mass spectrometric analysis.},\n\tnumber = {6},\n\tjournal = {Journal of Forensic Identification},\n\tauthor = {Coates, C.M. and Coticone, S. and Barreto, P.D. and Cobb, A.E. and Cody, R.B. and Barreto, J.C.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {624 --631},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n In this study, we report the analysis of volatile flammable solvents present on common household materials by employing a mass spectrometric technique that incorporates a novel ion source: direct analysis in real time (DART). We used the new ionization method to directly volatilize and ionize a solvent sample, which was then sent to a high-resolution mass spectrometer. We analyzed two common flammable solvents, gasoline and paint thinner, directly from cotton, drywall, and nylon materials. DART sampling occurs directly from the chemical matrix of the common household materials, with no sample preparation needed. Cotton swabs containing solvents, gasoline, and paint thinner produced characteristic signature peaks. In addition, different substrates (cotton, nylon, and drywall) containing gasoline and paint thinner were tested to determine the possibility of detecting aromatic and aliphatic solvents from a complex chemical matrix using DART technology. Specifically, we discovered that nylon was a poor substrate for DART detection of gasoline, with the entire signal disappearing in only two hours. Surprisingly, DART easily detected paint thinner on nylon even after 16 hours. Notably, DART was effective in all other cases, detecting both paint thinner and gasoline over a 0- to 16-hour period on cotton and drywall substrates. We conclude that DART sample detection directly from household materials is not simply a matter of vapor pressure; instead, direct DART detection probably dependent on a complex interaction involving adsorption effects or matrix effects on the ionization mechanism of the flammable solvents. We demonstrate and report a potentially simple, powerful, and useful alternative to traditional mass spectrometric analysis.\n
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\n \n\n \n \n \n \n \n \n Detection of Chemical Warfare Agents on Surfaces Relevant to Homeland Security by Direct Analysis in Real-Time Spectrometry.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Connell, T.; and Nilles, J.\n\n\n \n\n\n\n American Laboratory, 40: 16–20. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{laramee_detection_2008,\n\ttitle = {Detection of {Chemical} {Warfare} {Agents} on {Surfaces} {Relevant} to {Homeland} {Security} by {Direct} {Analysis} in {Real}-{Time} {Spectrometry}.},\n\tvolume = {40},\n\turl = {http://www.americanlaboratory.com/913-Technical-Articles/757-Detection-of-Chemical-Warfare-Agents-on-Surfaces-Relevant-to-Homeland-Security-by-Direct-Analysis-in-Real-Time-Spectrometry/},\n\tabstract = {Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents, or that require solvent extraction, DART leaves the sample surface undisturbed.\n\nAnalysis of low-volatility, condensed-phase chemicals on surfaces has been an extremely difficult and long-standing objective in environmental monitoring. When target analytes possess picotorr vapor pressures, the problem of monitoring becomes formidable. As such, any noncontact sampling at atmospheric pressure that does not require solvents or wipes would be a technological breakthrough. In addition, the absence of sample preparation would allow extremely rapid analysis in time-critical situations. Today, such a technology is now available. It is known as Direct Analysis in Real Time1 or DART™ (JEOL USA, Inc., Peabody, MA).\n\nThe U.S. Army has been testing and developing DART since 2002 for the detection of chemical warfare agents on surfaces. Fast, safe, and accurate detection of chemical agents is critical for protection, security, and decision-making. Sample preparation is seldom a requirement with DART, since the contaminated surface is simply analyzed directly using a plume of gaseous Rydberg atoms. Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents,2 or that require solvent extraction, DART leaves the sample surface undisturbed. This is a forensically worthy advantage. Recent findings of chemical warfare agent detection on militarily relevant surfaces in Homeland Security is a new approach to Warfighter safety and},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D and Connell, T.R. and Nilles, J.M.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {16--20},\n}\n\n\n\n
\n
\n\n\n
\n Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents, or that require solvent extraction, DART leaves the sample surface undisturbed. Analysis of low-volatility, condensed-phase chemicals on surfaces has been an extremely difficult and long-standing objective in environmental monitoring. When target analytes possess picotorr vapor pressures, the problem of monitoring becomes formidable. As such, any noncontact sampling at atmospheric pressure that does not require solvents or wipes would be a technological breakthrough. In addition, the absence of sample preparation would allow extremely rapid analysis in time-critical situations. Today, such a technology is now available. It is known as Direct Analysis in Real Time1 or DART™ (JEOL USA, Inc., Peabody, MA). The U.S. Army has been testing and developing DART since 2002 for the detection of chemical warfare agents on surfaces. Fast, safe, and accurate detection of chemical agents is critical for protection, security, and decision-making. Sample preparation is seldom a requirement with DART, since the contaminated surface is simply analyzed directly using a plume of gaseous Rydberg atoms. Unlike other analytical methods that necessitate that the surface be sprayed with electrically charged solvents,2 or that require solvent extraction, DART leaves the sample surface undisturbed. This is a forensically worthy advantage. Recent findings of chemical warfare agent detection on militarily relevant surfaces in Homeland Security is a new approach to Warfighter safety and\n
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\n \n\n \n \n \n \n \n \n DART–TOFMS: A Challenging Approach in Rapid Monitoring of Brominated Flame Retardants in Environmental Matrices.\n \n \n \n \n\n\n \n Hajslova, J.; Vaclavik, L.; Pulkrabova, J.; Poustka, J.; and Cajka, T.\n\n\n \n\n\n\n Organohalogen Compounds, 70: 922–925. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"DART–TOFMS:Paper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{hajslova_dartatofms:_2008,\n\ttitle = {{DARTâ}€“{TOFMS}: {A} {Challenging} {Approach} in {Rapid} {Monitoring} of {Brominated} {Flame} {Retardants} in {Environmental} {Matrices}},\n\tvolume = {70},\n\turl = {internal-pdf://Organohalogen_Compds_2008_70_922-925-0178287391/Organohalogen_Compds_2008_70_922-925.pdf},\n\tjournal = {Organohalogen Compounds},\n\tauthor = {Hajslova, J. and Vaclavik, L. and Pulkrabova, J. and Poustka, J. and Cajka, T.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {922--925},\n}\n\n\n\n
\n
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\n \n\n \n \n \n \n \n \n GC–TOF-MS and DART–TOF-MS: Challenges in the Analysis of Soft Drinks.\n \n \n \n \n\n\n \n Cajka, T.; Vaclavik, L.; Riddellova, K.; and Hajslova, J.\n\n\n \n\n\n\n LC/GC Europe, 21(5): 250–256. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"GC–TOF-MSPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{cajka_gcatof-ms_2008,\n\ttitle = {{GCâ}€“{TOF}-{MS} and {DARTâ}€“{TOF}-{MS}: {Challenges} in the {Analysis} of {Soft} {Drinks}.},\n\tvolume = {21},\n\turl = {internal-pdf://LCGC_Europe_2008_21_250-256-2493191967/LCGC_Europe_2008_21_250-256.pdf},\n\tabstract = {The potential of the time-of-flight mass spectrometry (TOF-MS) to innovate the analysis of soft drinks is described using gas chromatography (GC) hyphenated to TOF-MS and a new type of ion source, direct analysis in real time (DART), coupled to high-resolution TOF-MS. Head-space solid-phase microextraction (SPME) was used to isolate/extract volatile compounds followed by GC–TOF-MS to identify tainted compound in contaminated soft drinks. Direct analysis in real time–time-of-flight mass spectrometry (DART–TOF-MS) was also used to obtain negative and positive ion profiles of different soft drinks to determine the presence of various compounds, including antimicrobial preservatives, artificial sweeteners, acidulants and saccharides, without any sample preparation and chromatographic separation.},\n\tnumber = {5},\n\tjournal = {LC/GC Europe},\n\tauthor = {Cajka, T. and Vaclavik, L. and Riddellova, K. and Hajslova, J.},\n\tyear = {2008},\n\tkeywords = {AccuTOF;, GC, GC;, Leco, Pegasus, x},\n\tpages = {250--256},\n}\n\n\n\n
\n
\n\n\n
\n The potential of the time-of-flight mass spectrometry (TOF-MS) to innovate the analysis of soft drinks is described using gas chromatography (GC) hyphenated to TOF-MS and a new type of ion source, direct analysis in real time (DART), coupled to high-resolution TOF-MS. Head-space solid-phase microextraction (SPME) was used to isolate/extract volatile compounds followed by GC–TOF-MS to identify tainted compound in contaminated soft drinks. Direct analysis in real time–time-of-flight mass spectrometry (DART–TOF-MS) was also used to obtain negative and positive ion profiles of different soft drinks to determine the presence of various compounds, including antimicrobial preservatives, artificial sweeteners, acidulants and saccharides, without any sample preparation and chromatographic separation.\n
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\n \n\n \n \n \n \n \n \n Recent developments in ambient ionization techniques for analytical mass spectrometry.\n \n \n \n \n\n\n \n Harris, G. A.; Nyadong, L.; and Fernandez, F. M.\n\n\n \n\n\n\n Analyst, 133: 1297–1301. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"RecentPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{harris_recent_2008,\n\ttitle = {Recent developments in ambient ionization techniques for analytical mass spectrometry},\n\tvolume = {133},\n\turl = {internal-pdf://Analyst_2008_133_1297–1301-1033964575/Analyst_2008_133_1297–1301.pdf},\n\tdoi = {DOI: 10.1039/b806810k},\n\tabstract = {Ambient ionization techniques enable the interrogation of a variety of samples in their native state by mass spectrometry, and are rapidly advancing all fields where screening for the presence of various analytes in a broadband and/or high-throughput fashion is desirable. This Highlight article provides an introduction to the field, and showcases the different ionization approaches reported since 2004, with an emphasis on themost recent developments.},\n\tjournal = {Analyst},\n\tauthor = {Harris, Glenn A. and Nyadong, Leonard and Fernandez, Facundo M.},\n\tyear = {2008},\n\tkeywords = {AccuTOF, review;},\n\tpages = {1297--1301},\n}\n\n\n\n
\n
\n\n\n
\n Ambient ionization techniques enable the interrogation of a variety of samples in their native state by mass spectrometry, and are rapidly advancing all fields where screening for the presence of various analytes in a broadband and/or high-throughput fashion is desirable. This Highlight article provides an introduction to the field, and showcases the different ionization approaches reported since 2004, with an emphasis on themost recent developments.\n
\n\n\n
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\n \n\n \n \n \n \n \n \n Pharmacokinetic analysis of anti-allergy and anti-inflammation bioactives in a nettle (Urtica dioica) extract.\n \n \n \n \n\n\n \n Ayers, S.; Roschek, B. J.; Williams, J.; and Alberte, R.\n\n\n \n\n\n\n Online Journal of Pharmacology and PharmacoKinetics, 5: 6–21. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"PharmacokineticPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{ayers_pharmacokinetic_2008,\n\ttitle = {Pharmacokinetic analysis of anti-allergy and anti-inflammation bioactives in a nettle ({Urtica} dioica) extract.},\n\tvolume = {5},\n\turl = {internal-pdf://OJPK_2008_5_6-21-0916021023/OJPK_2008_5_6-21.pdf},\n\tabstract = {Pharmacokinetic analyses were conducted using DART TOF-MS on the uptake of bioactive components present in a nettle (Urtica dioica) extract delivered orally as a lozenge. Previously adenine, synephrine, osthole, and nicotinamide were shown to be key bioactives contributing to the anti-inflammatory and anti-allergy properties of the nettle extract (Roschek et al, 2009). Average serum concentrations of adenine reached 35.2 nmol L-1, nicotinamide reached 8.7 nmol L-1, osthole reached 11.0 nmol L-1, and synephrine reached 107.4 nmol L-1. These serum levels are equivalent to 0.3\\%, 0.2\\%, 0.2\\%, and 1.6\\% oral bioavailability for adenine, synephrine, osthole and nicotinamide respectively. Urine concentrations for adenine, nicotinamide, synephrine, and osthole reached 4.9 nmol L-1, 2.5 nmol L-1, 6.6 nmol L-1, and 0.2 nmol L-1, respectively. The major pharmacokinetic parameters (Cmax, Tmax, T1/2) were determined and compared for serum and urine. For all three of the compounds, Cmax values decreased 2- to 16-fold in urine compared to serum, Tmax values increased 2- to 12-fold, and T1/2 values increased 2- to 10-fold. Molecular modeling revealed that these compounds were not likely to cross the blood-brain barrier, particularly important for the anti-histamine bioactives to ensure a non-drowsy activity. These results show that antiinflammatory and anti-allergenic compounds in nettle are readily absorbed into the body and excreted in the urine when a nettle extract is delivered orally as a lozenge. In addition, DART TOF-MS is useful in quantifying multiple components in biological matrices with little or no sample preparation.},\n\tjournal = {Online Journal of Pharmacology and PharmacoKinetics},\n\tauthor = {Ayers, S. and Roschek, B. Jr and Williams, J.M. and Alberte, R.S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {6--21},\n}\n\n\n\n
\n
\n\n\n
\n Pharmacokinetic analyses were conducted using DART TOF-MS on the uptake of bioactive components present in a nettle (Urtica dioica) extract delivered orally as a lozenge. Previously adenine, synephrine, osthole, and nicotinamide were shown to be key bioactives contributing to the anti-inflammatory and anti-allergy properties of the nettle extract (Roschek et al, 2009). Average serum concentrations of adenine reached 35.2 nmol L-1, nicotinamide reached 8.7 nmol L-1, osthole reached 11.0 nmol L-1, and synephrine reached 107.4 nmol L-1. These serum levels are equivalent to 0.3%, 0.2%, 0.2%, and 1.6% oral bioavailability for adenine, synephrine, osthole and nicotinamide respectively. Urine concentrations for adenine, nicotinamide, synephrine, and osthole reached 4.9 nmol L-1, 2.5 nmol L-1, 6.6 nmol L-1, and 0.2 nmol L-1, respectively. The major pharmacokinetic parameters (Cmax, Tmax, T1/2) were determined and compared for serum and urine. For all three of the compounds, Cmax values decreased 2- to 16-fold in urine compared to serum, Tmax values increased 2- to 12-fold, and T1/2 values increased 2- to 10-fold. Molecular modeling revealed that these compounds were not likely to cross the blood-brain barrier, particularly important for the anti-histamine bioactives to ensure a non-drowsy activity. These results show that antiinflammatory and anti-allergenic compounds in nettle are readily absorbed into the body and excreted in the urine when a nettle extract is delivered orally as a lozenge. In addition, DART TOF-MS is useful in quantifying multiple components in biological matrices with little or no sample preparation.\n
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\n \n\n \n \n \n \n \n \n Characterization of “Yaa Chud” Medicine on the Thailand–Myanmar Border: Selecting for Drug-resistant Malaria and Threatening Public Health.\n \n \n \n \n\n\n \n Newton, P. N.; Hampton, C. Y.; Alter-Hall, K.; Teerwarakulpana, T.; Prakongpan, S.; Ruangveerayuth, R.; White, N. J.; Day, N. P. J.; Tudino, M. B.; Mancuso, N.; and Fernández, F. M.\n\n\n \n\n\n\n The American Journal of Tropical Medicine and Hygiene, 79(5): 662 –669. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{newton_characterization_2008,\n\ttitle = {Characterization of “{Yaa} {Chudâ}€ {Medicine} on the {Thailandâ}€“{Myanmar} {Border}: {Selecting} for {Drug}-resistant {Malaria} and {Threatening} {Public} {Health}},\n\tvolume = {79},\n\turl = {http://www.ajtmh.org/content/79/5/662.abstract},\n\tabstract = {Multidrug-resistant Plasmodium falciparum malaria is a severe public health problem on the Thailand–Myanmar border. Many villagers buy packets of 4–5 mixed medicines (“yaa chud”) from shops without medical assessment as their first-line malaria treatment. In 2000–2001 a local researcher purchased 50 yaa chud from 44 shops around Mae Sot, Thailand and Myawaddy, Myanmar (Burma), for his wife who was said to be pregnant with fever and drowsiness. The tablets/capsules were provisionally identified by appearance and active ingredients determined in a subset by using mass and atomic spectrometry. The most frequently detected active ingredients were acetaminophen (22\\%), chlorpheniramine (13.4\\%), chloroquine (12.6\\%), tetracycline/doxycycline (11.4\\%), and quinine (5.1\\%). Only seven bags contained potentially curative medicine for malaria. A total of 82\\% of the bags contained medicines contraindicated in pregnancy. Inappropriate, ineffective antimalarial drugs on the Thailand–Myanmar border are likely to increase malaria morbidity, mortality and health costs and engender the emergence and spread of antimalarial drug resistance.},\n\tnumber = {5},\n\tjournal = {The American Journal of Tropical Medicine and Hygiene},\n\tauthor = {Newton, Paul N. and Hampton, Christina Y. and Alter-Hall, Krystyn and Teerwarakulpana, Thanongsak and Prakongpan, Sompol and Ruangveerayuth, Ronnatrai and White, Nicholas J. and Day, Nicholas P. J. and Tudino, Mabel B. and Mancuso, Natalia and Fernández, Facundo M.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {662 --669},\n}\n\n\n\n
\n
\n\n\n
\n Multidrug-resistant Plasmodium falciparum malaria is a severe public health problem on the Thailand–Myanmar border. Many villagers buy packets of 4–5 mixed medicines (“yaa chud”) from shops without medical assessment as their first-line malaria treatment. In 2000–2001 a local researcher purchased 50 yaa chud from 44 shops around Mae Sot, Thailand and Myawaddy, Myanmar (Burma), for his wife who was said to be pregnant with fever and drowsiness. The tablets/capsules were provisionally identified by appearance and active ingredients determined in a subset by using mass and atomic spectrometry. The most frequently detected active ingredients were acetaminophen (22%), chlorpheniramine (13.4%), chloroquine (12.6%), tetracycline/doxycycline (11.4%), and quinine (5.1%). Only seven bags contained potentially curative medicine for malaria. A total of 82% of the bags contained medicines contraindicated in pregnancy. Inappropriate, ineffective antimalarial drugs on the Thailand–Myanmar border are likely to increase malaria morbidity, mortality and health costs and engender the emergence and spread of antimalarial drug resistance.\n
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\n \n\n \n \n \n \n \n \n HRMS Directly From TLC Slides. A Powerful Tool for Rapid Analysis of Organic Mixtures.\n \n \n \n \n\n\n \n Smith, N. J.; Domin, M. A.; and Scott, L. T.\n\n\n \n\n\n\n Organic Letters, 10(16): 3493–3496. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"HRMSPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{smith_hrms_2008,\n\ttitle = {{HRMS} {Directly} {From} {TLC} {Slides}. {A} {Powerful} {Tool} for {Rapid} {Analysis} of {Organic} {Mixtures}},\n\tvolume = {10},\n\tissn = {1523-7060},\n\turl = {internal-pdf://Org_Lett_2008_10_3493-3496-3316000799/Org_Lett_2008_10_3493-3496.pdf},\n\tabstract = {Abstract: High-resolution mass spectra (HRMS) of individual spots on thin-layer chromatography (TLC) slides can now be obtained quickly and easily at atmospheric pressure, with zero sample preparation, using commercially available instrumentation. The method is complementary to GC mass spectrometry but is not limited to compounds of high volatility and high thermal stability. TLC HRMS can be used to monitor chemical reactions in real time and has the capacity thereby to accelerate significantly the pace of synthetic organic chemistry.},\n\tnumber = {16},\n\tjournal = {Organic Letters},\n\tauthor = {Smith, Natalie J. and Domin, Marek A. and Scott, Lawrence T.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {3493--3496},\n}\n\n\n\n
\n
\n\n\n
\n Abstract: High-resolution mass spectra (HRMS) of individual spots on thin-layer chromatography (TLC) slides can now be obtained quickly and easily at atmospheric pressure, with zero sample preparation, using commercially available instrumentation. The method is complementary to GC mass spectrometry but is not limited to compounds of high volatility and high thermal stability. TLC HRMS can be used to monitor chemical reactions in real time and has the capacity thereby to accelerate significantly the pace of synthetic organic chemistry.\n
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\n \n\n \n \n \n \n \n \n An Inexpensive Autosampler to Maximize Throughput for an Ion Source that Samples Surfaces in Open Air.\n \n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Environmental Forensics, 9(2): 127–136. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_inexpensive_2008,\n\ttitle = {An {Inexpensive} {Autosampler} to {Maximize} {Throughput} for an {Ion} {Source} that {Samples} {Surfaces} in {Open} {Air}},\n\tvolume = {9},\n\tissn = {1527-5922},\n\turl = {internal-pdf://Environ_Forensics_2008_9_127-136-1318942495/Environ_Forensics_2008_9_127-136.pdf},\n\tabstract = {Rapid analysis of hundreds of wipe samples after a chemical dispersion event is essential for quickly characterizing the hazard posed to the public. An autosampler was built to pull 76 cotton swabs mounted along a 91-cm (3-foot) long, square aluminum rod in open air, through the ionizing beam of a direct analysis in real time (DART) ion source interfaced to a time-of-flight mass spectrometer. The rod and swabs mounted on N-scale model railroad flat cars were pulled through the ion source in 7.5 min by a 7-rpm motor. Percent relative standard deviations (\\%RSDs) of 18.5\\% to 21.3\\% were obtained for the chromatographic peak areas of the protonated molecule. Maximum-to-minimum ratios of the areas were between 2.22 and 2.71. Measured exact masses of analyte ions were always accurate to within 1 mDa.},\n\tnumber = {2},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, Andrew H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {127--136},\n}\n\n\n\n
\n
\n\n\n
\n Rapid analysis of hundreds of wipe samples after a chemical dispersion event is essential for quickly characterizing the hazard posed to the public. An autosampler was built to pull 76 cotton swabs mounted along a 91-cm (3-foot) long, square aluminum rod in open air, through the ionizing beam of a direct analysis in real time (DART) ion source interfaced to a time-of-flight mass spectrometer. The rod and swabs mounted on N-scale model railroad flat cars were pulled through the ion source in 7.5 min by a 7-rpm motor. Percent relative standard deviations (%RSDs) of 18.5% to 21.3% were obtained for the chromatographic peak areas of the protonated molecule. Maximum-to-minimum ratios of the areas were between 2.22 and 2.71. Measured exact masses of analyte ions were always accurate to within 1 mDa.\n
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\n \n\n \n \n \n \n \n \n Control of Strobilurin Fungicides in Wheat Using Direct Analysis in Real Time Accurate Time-of-Flight and Desorption Electrospray Ionization Linear Ion Trap Mass Spectrometry.\n \n \n \n \n\n\n \n Schurek, J.; Vaclavik, L.; Hooijerink, H.; Lacina, O.; Poustka, J.; Sharman, M.; Caldow, M.; Nielen, M. W. F.; and Hajslova, J.\n\n\n \n\n\n\n Analytical Chemistry, 80(24): 9567–9575. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"ControlPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{schurek_control_2008,\n\ttitle = {Control of {Strobilurin} {Fungicides} in {Wheat} {Using} {Direct} {Analysis} in {Real} {Time} {Accurate} {Time}-of-{Flight} and {Desorption} {Electrospray} {Ionization} {Linear} {Ion} {Trap} {Mass} {Spectrometry}},\n\tvolume = {80},\n\turl = {internal-pdf://Anal_Chem_2008_80_9567-9575-0245740063/Anal_Chem_2008_80_9567-9575.pdf},\n\tdoi = {10.1021/ac8018137},\n\tabstract = {Ambient mass spectrometry has been used for the analysis of strobilurin residues in wheat. The use of this novel, challenging technique, employing a direct analysis in a real time (DART) ion-source coupled with a time-of-flight mass spectrometer (TOF MS) and a desorption electrospray ionization (DESI) source coupled with a linear ion trap tandem MS (LIT MSn), permitted a direct screen of the occurrence of target fungicides in treated grains in less than 1 min. For quantification purpose by DART-TOF MS, an ethyl acetate extract had to be prepared. With the use of a prochloraz as an internal standard, the performance characteristics obtained by repeated analyses of extract, spiked at 50 μg kg−1 with six strobilurins (azoxystrobin, picoxystrobin, dimoxystrobin, kresoxim-methyl, pyraclostrobin, and trifloxystrobin), were in the following range: recoveries 78−92\\%, repeatability (RSD) 8−15\\%, linearity (R2) 0.9900−0.9978. The analysis of wheat with incurred strobilurin residues demonstrated good trueness of data generated by the DART-TOF MS method; the results were in a good agreement with those obtained by the conventional approach, i.e., by the QuEChERS sample handling procedure followed by identification/quantification employing high-performance liquid chromatography coupled with tandem mass spectrometry (LC−MS/MS). Tandem mass spectrometry using DESI-LIT MSn provided a sufficient number of product ions for confirmation of the identity of azoxystrobin and pyraclostrobin in incurred wheat samples.},\n\tnumber = {24},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Schurek, Jakub and Vaclavik, Lukas and Hooijerink, H. and Lacina, Ondrej and Poustka, Jan and Sharman, Matthew and Caldow, Marianne and Nielen, Michel W. F. and Hajslova, Jana},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {9567--9575},\n}\n\n\n\n
\n
\n\n\n
\n Ambient mass spectrometry has been used for the analysis of strobilurin residues in wheat. The use of this novel, challenging technique, employing a direct analysis in a real time (DART) ion-source coupled with a time-of-flight mass spectrometer (TOF MS) and a desorption electrospray ionization (DESI) source coupled with a linear ion trap tandem MS (LIT MSn), permitted a direct screen of the occurrence of target fungicides in treated grains in less than 1 min. For quantification purpose by DART-TOF MS, an ethyl acetate extract had to be prepared. With the use of a prochloraz as an internal standard, the performance characteristics obtained by repeated analyses of extract, spiked at 50 μg kg−1 with six strobilurins (azoxystrobin, picoxystrobin, dimoxystrobin, kresoxim-methyl, pyraclostrobin, and trifloxystrobin), were in the following range: recoveries 78−92%, repeatability (RSD) 8−15%, linearity (R2) 0.9900−0.9978. The analysis of wheat with incurred strobilurin residues demonstrated good trueness of data generated by the DART-TOF MS method; the results were in a good agreement with those obtained by the conventional approach, i.e., by the QuEChERS sample handling procedure followed by identification/quantification employing high-performance liquid chromatography coupled with tandem mass spectrometry (LC−MS/MS). Tandem mass spectrometry using DESI-LIT MSn provided a sufficient number of product ions for confirmation of the identity of azoxystrobin and pyraclostrobin in incurred wheat samples.\n
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\n \n\n \n \n \n \n \n \n Expression of tropane alkaloids in the hairy root culture of Atropa acuminata substantiated by DART mass spectrometric technique.\n \n \n \n \n\n\n \n Banerjee, S.; Madhusudanan, K. P.; Chattopadhyay, S. K.; Rahman, L. U.; and Khanuja, S. P. S.\n\n\n \n\n\n\n Biomedical Chromatography, 22(8): 830–834. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"ExpressionPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{banerjee_expression_2008,\n\ttitle = {Expression of tropane alkaloids in the hairy root culture of {Atropa} acuminata substantiated by {DART} mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\turl = {internal-pdf://Biomed_Chrom_2008_22_830-834-0161106207/Biomed_Chrom_2008_22_830-834.pdf},\n\tabstract = {Agrobacterium rhizogenes-mediated hairy root cultures were established in Atropa acuminata. The chemical profiling of the hairy roots was carried out by a new mass spectrometric technique, direct analysis in real time (DART). The intact hairy roots were directly analyzed by holding them in the gap between the DART ion source and mass spectrometer. Two alkaloids, atropine and scopolamine, were characterized. The structural confirmation of the two alkaloids was made through their accurate molecular formula determinations. This is the first report of establishing hairy roots in A. acuminata as well as application of the DART technique for the chemical profiling of its hairy roots.},\n\tnumber = {8},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Banerjee, Suchitra and Madhusudanan, K. P. and Chattopadhyay, Sunil K. and Rahman, Laiq Ur and Khanuja, Suman P. S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {830--834},\n}\n\n\n\n
\n
\n\n\n
\n Agrobacterium rhizogenes-mediated hairy root cultures were established in Atropa acuminata. The chemical profiling of the hairy roots was carried out by a new mass spectrometric technique, direct analysis in real time (DART). The intact hairy roots were directly analyzed by holding them in the gap between the DART ion source and mass spectrometer. Two alkaloids, atropine and scopolamine, were characterized. The structural confirmation of the two alkaloids was made through their accurate molecular formula determinations. This is the first report of establishing hairy roots in A. acuminata as well as application of the DART technique for the chemical profiling of its hairy roots.\n
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\n \n\n \n \n \n \n \n \n Rapid and sensitive determination of acrylamide in drinking water by planar chromatography and fluorescence detection after derivatization with dansulfinic acid.\n \n \n \n \n\n\n \n Alpmann, A.; and Morlock, G.\n\n\n \n\n\n\n Journal of Separation Science, 31(1): 71–77. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{alpmann_rapid_2008,\n\ttitle = {Rapid and sensitive determination of acrylamide in drinking water by planar chromatography and fluorescence detection after derivatization with dansulfinic acid},\n\tvolume = {31},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.200700391},\n\tabstract = {On the basis of a novel derivatization, a new planar chromatographic method has been developed for the determination of acrylamide (AA) in drinking water at the ultra-trace level. After SPE, the water extracts were oversprayed on a high-performance thin-layer chromatography (HPTLC) silica gel plate with the derivatization agent dansulfinic acid and derivatized in situ. Chromatography was performed with ethyl acetate and the fluorescent product was quantified at 366/{\\textbackslash}textgreater400 nm. Verification was based on HPTLC-ESI/MS, HPTLC-direct analysis in real-time (DART)-TOF/MS and NMR. The routine HPTLC-fluorescence detection (FLD) method was validated for spiked drinking water. The regression analysis was linear (r {\\textbackslash}textgreater0.9918) in the range of 0.1-0.4 mug/L. LOD was calculated to be 0.025 mug/L and experimentally proved for spiked samples at levels down to 0.05 mug/L (S/N = 6) which was suited for monitoring the EU limit value of 0.1 mug/L in drinking water (0.5 mug/L demanded by World Health Organization (WHO)/US Environmental Protection Agency (EPA)). Within-run precision and the mean between-run precision (RSD, n = 3, three concentration levels each) were evaluated to be 4.8 and 11.0\\%, respectively. The mean recovery (0.1, 0.2, and 0.3 mug/L) was 96\\% corrected by the internal standard. The method, in comparison with HPLC-MS/MS showed comparable results and demonstrated the accuracy of the method.},\n\tnumber = {1},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Alpmann, Alexander and Morlock, Gertrud},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {71--77},\n}\n\n\n\n
\n
\n\n\n
\n On the basis of a novel derivatization, a new planar chromatographic method has been developed for the determination of acrylamide (AA) in drinking water at the ultra-trace level. After SPE, the water extracts were oversprayed on a high-performance thin-layer chromatography (HPTLC) silica gel plate with the derivatization agent dansulfinic acid and derivatized in situ. Chromatography was performed with ethyl acetate and the fluorescent product was quantified at 366/\\textgreater400 nm. Verification was based on HPTLC-ESI/MS, HPTLC-direct analysis in real-time (DART)-TOF/MS and NMR. The routine HPTLC-fluorescence detection (FLD) method was validated for spiked drinking water. The regression analysis was linear (r \\textgreater0.9918) in the range of 0.1-0.4 mug/L. LOD was calculated to be 0.025 mug/L and experimentally proved for spiked samples at levels down to 0.05 mug/L (S/N = 6) which was suited for monitoring the EU limit value of 0.1 mug/L in drinking water (0.5 mug/L demanded by World Health Organization (WHO)/US Environmental Protection Agency (EPA)). Within-run precision and the mean between-run precision (RSD, n = 3, three concentration levels each) were evaluated to be 4.8 and 11.0%, respectively. The mean recovery (0.1, 0.2, and 0.3 mug/L) was 96% corrected by the internal standard. The method, in comparison with HPLC-MS/MS showed comparable results and demonstrated the accuracy of the method.\n
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\n \n\n \n \n \n \n \n \n Pharmacokinetics of Cyanidin and Anti-Influenza Phytonutrients in an Elder Berry Extract Determined by LC-MS and DART TOF-MS.\n \n \n \n \n\n\n \n Roschek Jr., B.; and Alberte, R.\n\n\n \n\n\n\n Online Journal of Pharmacology and Pharmacokinetics, 4: 1–17. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"PharmacokineticsPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{roschek_jr._pharmacokinetics_2008,\n\ttitle = {Pharmacokinetics of {Cyanidin} and {Anti}-{Influenza} {Phytonutrients} in an {Elder} {Berry} {Extract} {Determined} by {LC}-{MS} and {DART} {TOF}-{MS}},\n\tvolume = {4},\n\turl = {internal-pdf://OJPK_2008_4_1-17-3114617375/OJPK_2008_4_1-17.pdf},\n\tjournal = {Online Journal of Pharmacology and Pharmacokinetics},\n\tauthor = {Roschek Jr., B. and Alberte, R.S.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {1--17},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Direct analysis in real time–time-of-flight mass spectrometry: Analysis of pesticide residues and environmental contaminants.\n \n \n \n \n\n\n \n Vaclavik, L.; Schurek, J.; Cajka, T.; and Hajslova, J.\n\n\n \n\n\n\n Chemicke Listy, 102: s324–s327. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vaclavik_direct_2008,\n\ttitle = {Direct analysis in real time–time-of-flight mass spectrometry: {Analysis} of pesticide residues and environmental contaminants.},\n\tvolume = {102},\n\turl = {internal-pdf://Chemicke_Listy_2008_102_324–s327-0145137695/Chemicke_Listy_2008_102_324–s327.pdf},\n\tjournal = {Chemicke Listy},\n\tauthor = {Vaclavik, L. and Schurek, J. and Cajka, T. and Hajslova, J.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {s324–s327},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Solvent Effect on the Self-Assembled Structure of an Amphiphilic Perylene Diimide Derivative.\n \n \n \n \n\n\n \n Yang, X.; Xu, X.; and Ji, H.\n\n\n \n\n\n\n Journal of Physical Chemistry B, 112: 7196–7202. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"SolventPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{yang_solvent_2008,\n\ttitle = {Solvent {Effect} on the {Self}-{Assembled} {Structure} of an {Amphiphilic} {Perylene} {Diimide} {Derivative}},\n\tvolume = {112},\n\turl = {internal-pdf://J_Phys_Chem_B_2008_112_7196–7202-2846421279/J_Phys_Chem_B_2008_112_7196–7202.pdf},\n\tdoi = {10.1021/jp801413k},\n\tabstract = {An amphiphilic electron-deficient (n-type) perylene diimide has been synthesized and characterized. The diimide contains a hydrophobic long chain on one end and a hydrophilic ethoxy chain on the other. The self-assembly of this molecule in polar and nonpolar solvents has been demonstrated by concentration- and temperaturedependent absorption and fluorescence spectroscopies. Analysis of the spectral change for the aggregates shows typical J-aggregates for structures precipitated from polar solvents and H-aggregates for structures precipitated from nonpolar solvents. SEM and TEM micrographs and a suggested packing scheme, compatible with the formation of nanostrips in nonpolar solvents and nanofibers in polar solvents, are presented.},\n\tjournal = {Journal of Physical Chemistry B},\n\tauthor = {Yang, Xin and Xu, Xiaohe and Ji, Hai-Feng},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {7196–7202},\n}\n\n\n\n
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\n An amphiphilic electron-deficient (n-type) perylene diimide has been synthesized and characterized. The diimide contains a hydrophobic long chain on one end and a hydrophilic ethoxy chain on the other. The self-assembly of this molecule in polar and nonpolar solvents has been demonstrated by concentration- and temperaturedependent absorption and fluorescence spectroscopies. Analysis of the spectral change for the aggregates shows typical J-aggregates for structures precipitated from polar solvents and H-aggregates for structures precipitated from nonpolar solvents. SEM and TEM micrographs and a suggested packing scheme, compatible with the formation of nanostrips in nonpolar solvents and nanofibers in polar solvents, are presented.\n
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\n \n\n \n \n \n \n \n \n Analysis of cell cultures of Taxus wallichiana using direct analysis in real-time mass spectrometric technique.\n \n \n \n \n\n\n \n Banerjee, S.; Madhusudanan, K. P.; Khanuja, S. P. S.; and Chattopadhyay, S. K.\n\n\n \n\n\n\n Biomedical Chromatography, 22(3): 250–253. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{banerjee_analysis_2008,\n\ttitle = {Analysis of cell cultures of {Taxus} wallichiana using direct analysis in real-time mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\turl = {internal-pdf://Biomed_Chrom_2008_22_250-253-2879036959/Biomed_Chrom_2008_22_250-253.pdf},\n\tabstract = {The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the calli of Taxus wallichiana. The intact callus samples were directly analyzed by holding them in the gap between the DART source and mass spectrometer for measurements. Five C-14 oxygenated taxoids were characterized from the analysis of the calli of the Taxus wallichiana almost instantaneously. The confirmation of the structures of the identified taxoids was made through their accurate molecular formula determinations.},\n\tnumber = {3},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Banerjee, Suchitra and Madhusudanan, K. P. and Khanuja, Suman P. S. and Chattopadhyay, Sunil K.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {250--253},\n}\n\n\n\n
\n
\n\n\n
\n The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the calli of Taxus wallichiana. The intact callus samples were directly analyzed by holding them in the gap between the DART source and mass spectrometer for measurements. Five C-14 oxygenated taxoids were characterized from the analysis of the calli of the Taxus wallichiana almost instantaneously. The confirmation of the structures of the identified taxoids was made through their accurate molecular formula determinations.\n
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\n \n\n \n \n \n \n \n \n Quantification of small molecules in plasma with direct analysis in real time tandem mass spectrometry, without sample preparation and liquid chromatographic separation.\n \n \n \n \n\n\n \n Zhao, Y.; Lam, M.; Wu, D.; and R., M.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 22(20): 3217–3224. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"QuantificationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{zhao_quantification_2008,\n\ttitle = {Quantification of small molecules in plasma with direct analysis in real time tandem mass spectrometry, without sample preparation and liquid chromatographic separation.},\n\tvolume = {22},\n\turl = {internal-pdf://RCM_2008_22_3217-3224-0497666335/RCM_2008_22_3217-3224.pdf},\n\tabstract = {Recently, a new ion source, Direct Analysis in Real Time (DART), has been introduced which allows direct biological sample introduction into a mass spectrometry (MS) system. The elimination of conventionally required sample preparation and separation by high-performance liquid chromatography (HPLC) prior to MS analysis represents a remarkable opportunity to reduce assay turn-around time, environmental impact and capital/manpower investment. This new technology initially was used in various qualitative applications to directly detect chemicals on solid surfaces, in liquids and gases. In this study, a DART source operating under ambient pressure with ground potential was installed onto a Sciex 4000 tandem mass spectrometer and employed in the sample analysis of plasma based on direct introduction into the DART-MS/MS system. Reasonable precision and accuracy (\\%CV and \\%Error, both {\\textbackslash}textless10\\%) were achieved of a significant number of compounds tested in biological fluids. In addition, the limit of detection for 80\\% of the tested compounds reached 5 ng/mL or lower which is sufficient for pharmaceutical drug discovery support. Finally, experimental conditions that significantly impacted assay performance were investigated with respect to optimization and limitation. Because of its simplicity, fast data acquisition (3-5 s) and low cost, DART has the potential to significantly impact quantitative pharmaceutical analysis in biological matrices.},\n\tnumber = {20},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Zhao, Y. and Lam, M. and Wu, D. and R., Mak},\n\tyear = {2008},\n\tkeywords = {Applied, Biosystems, Quad, Triple},\n\tpages = {3217--3224},\n}\n\n\n\n
\n
\n\n\n
\n Recently, a new ion source, Direct Analysis in Real Time (DART), has been introduced which allows direct biological sample introduction into a mass spectrometry (MS) system. The elimination of conventionally required sample preparation and separation by high-performance liquid chromatography (HPLC) prior to MS analysis represents a remarkable opportunity to reduce assay turn-around time, environmental impact and capital/manpower investment. This new technology initially was used in various qualitative applications to directly detect chemicals on solid surfaces, in liquids and gases. In this study, a DART source operating under ambient pressure with ground potential was installed onto a Sciex 4000 tandem mass spectrometer and employed in the sample analysis of plasma based on direct introduction into the DART-MS/MS system. Reasonable precision and accuracy (%CV and %Error, both \\textless10%) were achieved of a significant number of compounds tested in biological fluids. In addition, the limit of detection for 80% of the tested compounds reached 5 ng/mL or lower which is sufficient for pharmaceutical drug discovery support. Finally, experimental conditions that significantly impacted assay performance were investigated with respect to optimization and limitation. Because of its simplicity, fast data acquisition (3-5 s) and low cost, DART has the potential to significantly impact quantitative pharmaceutical analysis in biological matrices.\n
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\n \n\n \n \n \n \n \n \n Implementation of DART and DESI Ionization on a Fieldable Mass Spectrometer.\n \n \n \n \n\n\n \n Wells, J. M.; Roth, M. J.; Keil, A. D.; Grossenbacher, J. W.; Justes, D. R.; Patterson, G. E.; and Barket Jr., D. J.\n\n\n \n\n\n\n Journal of the American Society for Mass Spectrometry, 19(10): 1419–1424. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"ImplementationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{wells_implementation_2008,\n\ttitle = {Implementation of {DART} and {DESI} {Ionization} on a {Fieldable} {Mass} {Spectrometer}},\n\tvolume = {19},\n\turl = {internal-pdf://JASMS_2008_19_1419 –1424-3232176927/JASMS_2008_19_1419 –1424.pdf},\n\tdoi = {10.1016/j.jasms.2008.06.028},\n\tabstract = {A recently developed prototype mobile laboratory mass spectrometer, incorporating an atmospheric pressure ionization (API) interface, is described. This system takes advantage of the small size, lower voltage requirements, and tandem MS abilities of the cylindrical ion trap mass analyzer. The prototype API MS uses small, low-power pumps to fit into a 0.1-m3 self-contained package weighing less than 45 kg. This instrument has been adapted to allow rapid interfacing to electrospray ionization, desorption electrospray ionization, and direct analysis in real-time sources. Initial data indicate that these techniques provide rapid detection and identification of compounds for quality control, homeland security, and forensic applications. In addition, this instrument is self-contained and compact, making it ideally extensible to mobile laboratory and field analyses. Initial MS and MS/MS data for analyses of drugs, food, and explosives are presented herein.},\n\tnumber = {10},\n\tjournal = {Journal of the American Society for Mass Spectrometry},\n\tauthor = {Wells, J. Mitchell and Roth, Michael J. and Keil, Adam D. and Grossenbacher, John W. and Justes, Dina R. and Patterson, Garth E. and Barket Jr., Dennis J.},\n\tyear = {2008},\n\tkeywords = {Griffin},\n\tpages = {1419--1424},\n}\n\n\n\n
\n
\n\n\n
\n A recently developed prototype mobile laboratory mass spectrometer, incorporating an atmospheric pressure ionization (API) interface, is described. This system takes advantage of the small size, lower voltage requirements, and tandem MS abilities of the cylindrical ion trap mass analyzer. The prototype API MS uses small, low-power pumps to fit into a 0.1-m3 self-contained package weighing less than 45 kg. This instrument has been adapted to allow rapid interfacing to electrospray ionization, desorption electrospray ionization, and direct analysis in real-time sources. Initial data indicate that these techniques provide rapid detection and identification of compounds for quality control, homeland security, and forensic applications. In addition, this instrument is self-contained and compact, making it ideally extensible to mobile laboratory and field analyses. Initial MS and MS/MS data for analyses of drugs, food, and explosives are presented herein.\n
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\n \n\n \n \n \n \n \n \n Prevalence and Detection of Counterfeit Pharmaceuticals: A Mini Review.\n \n \n \n \n\n\n \n Fernandez, F. M.; Green, M. D.; and Newton, P. N.\n\n\n \n\n\n\n Ind. Eng. Chem. Res., 47(3): 585–590. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"PrevalencePaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{fernandez_prevalence_2008,\n\ttitle = {Prevalence and {Detection} of {Counterfeit} {Pharmaceuticals}: {A} {Mini} {Review}},\n\tvolume = {47},\n\tissn = {0888-5885},\n\turl = {internal-pdf://Ind_Eng_Chem_Res_2008_47_585-590-2627536671/Ind_Eng_Chem_Res_2008_47_585-590.pdf},\n\tabstract = {Counterfeit drugs are a widespread, important public health problem. This mini review reports on the current status of the issue of drug counterfeiting, with special emphasis on our findings on counterfeit anti-infectives, and the new detection tools being developed to identify and characterize fake drugs.},\n\tnumber = {3},\n\tjournal = {Ind. Eng. Chem. Res.},\n\tauthor = {Fernandez, F. M. and Green, M. D. and Newton, P. N.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {585--590},\n}\n\n\n\n
\n
\n\n\n
\n Counterfeit drugs are a widespread, important public health problem. This mini review reports on the current status of the issue of drug counterfeiting, with special emphasis on our findings on counterfeit anti-infectives, and the new detection tools being developed to identify and characterize fake drugs.\n
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\n \n\n \n \n \n \n \n \n Flammable Solvent Detection Directly from Common Household Materials Yields Differential Results: An Application of Direct Analysis in Real-Time Mass Spectrometry.\n \n \n \n \n\n\n \n Coates, C.; Coticone, S.; Barreto, P.; Cobb, A.; Cody, R.; and Barreto, J.\n\n\n \n\n\n\n Journal of Forensic Identification, 58(6): 624 –631. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"FlammablePaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{coates_flammable_2008,\n\ttitle = {Flammable {Solvent} {Detection} {Directly} from {Common} {Household} {Materials} {Yields} {Differential} {Results}: {An} {Application} of {Direct} {Analysis} in {Real}-{Time} {Mass} {Spectrometry}.},\n\tvolume = {58},\n\turl = {internal-pdf://JFI_2008_58_624 -631-2140897311/JFI_2008_58_624 -631.pdf},\n\tabstract = {In this study, we report the analysis of volatile flammable solvents present on common household materials by employing a mass spectrometric technique that incorporates a novel ion source: direct analysis in real time (DART). We used the new ionization method to directly volatilize and ionize a solvent sample, which was then sent to a high-resolution mass spectrometer. We analyzed two common flammable solvents, gasoline and paint thinner, directly from cotton, drywall, and nylon materials. DART sampling occurs directly from the chemical matrix of the common household materials, with no sample preparation needed. Cotton swabs containing solvents, gasoline, and paint thinner produced characteristic signature peaks. In addition, different substrates (cotton, nylon, and drywall) containing gasoline and paint thinner were tested to determine the possibility of detecting aromatic and aliphatic solvents from a complex chemical matrix using DART technology. Specifically, we discovered that nylon was a poor substrate for DART detection of gasoline, with the entire signal disappearing in only two hours. Surprisingly, DART easily detected paint thinner on nylon even after 16 hours. Notably, DART was effective in all other cases, detecting both paint thinner and gasoline over a 0- to 16-hour period on cotton and drywall substrates. We conclude that DART sample detection directly from household materials is not simply a matter of vapor pressure; instead, direct DART detection probably dependent on a complex interaction involving adsorption effects or matrix effects on the ionization mechanism of the flammable solvents. We demonstrate and report a potentially simple, powerful, and useful alternative to traditional mass spectrometric analysis.},\n\tnumber = {6},\n\tjournal = {Journal of Forensic Identification},\n\tauthor = {Coates, C.M. and Coticone, S. and Barreto, P.D. and Cobb, A.E. and Cody, R.B. and Barreto, J.C.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {624 --631},\n}\n\n\n\n
\n
\n\n\n
\n In this study, we report the analysis of volatile flammable solvents present on common household materials by employing a mass spectrometric technique that incorporates a novel ion source: direct analysis in real time (DART). We used the new ionization method to directly volatilize and ionize a solvent sample, which was then sent to a high-resolution mass spectrometer. We analyzed two common flammable solvents, gasoline and paint thinner, directly from cotton, drywall, and nylon materials. DART sampling occurs directly from the chemical matrix of the common household materials, with no sample preparation needed. Cotton swabs containing solvents, gasoline, and paint thinner produced characteristic signature peaks. In addition, different substrates (cotton, nylon, and drywall) containing gasoline and paint thinner were tested to determine the possibility of detecting aromatic and aliphatic solvents from a complex chemical matrix using DART technology. Specifically, we discovered that nylon was a poor substrate for DART detection of gasoline, with the entire signal disappearing in only two hours. Surprisingly, DART easily detected paint thinner on nylon even after 16 hours. Notably, DART was effective in all other cases, detecting both paint thinner and gasoline over a 0- to 16-hour period on cotton and drywall substrates. We conclude that DART sample detection directly from household materials is not simply a matter of vapor pressure; instead, direct DART detection probably dependent on a complex interaction involving adsorption effects or matrix effects on the ionization mechanism of the flammable solvents. We demonstrate and report a potentially simple, powerful, and useful alternative to traditional mass spectrometric analysis.\n
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\n \n\n \n \n \n \n \n \n Analysis of hairy root culture of Rauvolfia serpentina using direct analysis in real time mass spectrometric technique.\n \n \n \n \n\n\n \n Madhusudanan, K. P.; Banerjee, S.; Khanuja, S. P. S.; and Chattopadhyay, S. K.\n\n\n \n\n\n\n Biomedical Chromatography, 22(6): 596–600. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{madhusudanan_analysis_2008,\n\ttitle = {Analysis of hairy root culture of {Rauvolfia} serpentina using direct analysis in real time mass spectrometric technique},\n\tvolume = {22},\n\tissn = {1099-0801},\n\turl = {internal-pdf://Biomed_Chrom_2008_22_596-600-0883034655/Biomed_Chrom_2008_22_596-600.pdf},\n\tabstract = {The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the hairy root culture of Rauvolfia serpentina. The intact hairy roots were analyzed by holding them in the gap between the DART source and the mass spectrometer for measurements. Two nitrogen-containing compounds, vomilenine and reserpine, were characterized from the analysis of the hairy roots almost instantaneously. The confirmation of the structures of the identified compounds was made through their accurate molecular formula determinations. This is the first report of the application of DART technique for the characterization of compounds that are expressed in the hairy root cultures of Rauvolfia serpentina. Moreover, this also constitutes the first report of expression of reserpine in the hairy root culture of Rauvolfia serpentina.},\n\tnumber = {6},\n\tjournal = {Biomedical Chromatography},\n\tauthor = {Madhusudanan, K. P. and Banerjee, Suchitra and Khanuja, Suman P. S. and Chattopadhyay, Sunil K.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {596--600},\n}\n\n\n\n
\n
\n\n\n
\n The applicability of a new mass spectrometric technique, DART (direct analysis in real time) has been studied in the analysis of the hairy root culture of Rauvolfia serpentina. The intact hairy roots were analyzed by holding them in the gap between the DART source and the mass spectrometer for measurements. Two nitrogen-containing compounds, vomilenine and reserpine, were characterized from the analysis of the hairy roots almost instantaneously. The confirmation of the structures of the identified compounds was made through their accurate molecular formula determinations. This is the first report of the application of DART technique for the characterization of compounds that are expressed in the hairy root cultures of Rauvolfia serpentina. Moreover, this also constitutes the first report of expression of reserpine in the hairy root culture of Rauvolfia serpentina.\n
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\n \n\n \n \n \n \n \n \n Cuticular hydrocarbon analysis of an awake behaving fly using direct analysis in real-time time-of-flight mass spectrometry.\n \n \n \n \n\n\n \n Yew, J. Y.; Cody, R. B.; and Kravitz, E. A.\n\n\n \n\n\n\n Proceedings of the National Academy of Sciences, 105(20): 7135–7140. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"CuticularPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{yew_cuticular_2008,\n\ttitle = {Cuticular hydrocarbon analysis of an awake behaving fly using direct analysis in real-time time-of-flight mass spectrometry},\n\tvolume = {105},\n\turl = {internal-pdf://PNAS_2008_105_7135-7140-2041145631/PNAS_2008_105_7135-7140.pdf},\n\tdoi = {10.1073/pnas.0802692105},\n\tabstract = {In mammals and insects, pheromones strongly influence social behaviors such as aggression and mate recognition. In , pheromones in the form of cuticular hydrocarbons play prominent roles in courtship. GC/MS is the primary analytical tool currently used to study cuticular hydrocarbons. Although GC/MS is highly reproducible and sensitive, it requires that the fly be placed in a lethal solution of organic solvent, thereby impeding further behavioral studies. We present a technique for the analysis of hydrocarbons and other surface molecules from live animals by using direct analysis in real-time (DART) MS. Cuticular hydrocarbons were sampled from the surface of a restrained, awake behaving fly by using several brief, carefully controlled depressions of the abdomen with a small steel probe. DART mass spectral analysis of the probe detected ions with mass-to-charge ratio (/) of the protonated molecule corresponding to many of the previously identified unsaturated hydrocarbons. Six additional cuticular hydrocarbons also were identified. Consistent with previous GC/MS studies, male and female differences in chemical composition were evident. Spatial differences in the expression profile also were observed on males. Sampling from an individual female first as a virgin and then 45 and 90 min after successful copulation showed that mass signals likely to correspond to -vaccenyl acetate, tricosene, and pentacosene increased in relative intensity after courtship. This method provides near-instantaneous analysis of an individual animal's chemical profile in parallel with behavioral studies and could be extended to other models of pheromone-mediated behavior.},\n\tnumber = {20},\n\tjournal = {Proceedings of the National Academy of Sciences},\n\tauthor = {Yew, Joanne Y. and Cody, Robert B. and Kravitz, Edward A.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {7135--7140},\n}\n\n\n\n
\n
\n\n\n
\n In mammals and insects, pheromones strongly influence social behaviors such as aggression and mate recognition. In , pheromones in the form of cuticular hydrocarbons play prominent roles in courtship. GC/MS is the primary analytical tool currently used to study cuticular hydrocarbons. Although GC/MS is highly reproducible and sensitive, it requires that the fly be placed in a lethal solution of organic solvent, thereby impeding further behavioral studies. We present a technique for the analysis of hydrocarbons and other surface molecules from live animals by using direct analysis in real-time (DART) MS. Cuticular hydrocarbons were sampled from the surface of a restrained, awake behaving fly by using several brief, carefully controlled depressions of the abdomen with a small steel probe. DART mass spectral analysis of the probe detected ions with mass-to-charge ratio (/) of the protonated molecule corresponding to many of the previously identified unsaturated hydrocarbons. Six additional cuticular hydrocarbons also were identified. Consistent with previous GC/MS studies, male and female differences in chemical composition were evident. Spatial differences in the expression profile also were observed on males. Sampling from an individual female first as a virgin and then 45 and 90 min after successful copulation showed that mass signals likely to correspond to -vaccenyl acetate, tricosene, and pentacosene increased in relative intensity after courtship. This method provides near-instantaneous analysis of an individual animal's chemical profile in parallel with behavioral studies and could be extended to other models of pheromone-mediated behavior.\n
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\n \n\n \n \n \n \n \n \n Planar Chromatography - Back to the future?.\n \n \n \n \n\n\n \n Morlock, G.; and Schwack, W.\n\n\n \n\n\n\n LC/GC Europe, (21): 366–371. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"PlanarPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{morlock_planar_2008,\n\ttitle = {Planar {Chromatography} - {Back} to the future?},\n\turl = {http://chromatographyonline.findanalytichem.com/lcgc/article/articleDetail.jsp?id=531582&pageID=1&sk=&date=},\n\tabstract = {The importance of planar chromatography, particularly thin layer chromatography (TLC), is vastly underestimated. This article highlights the unique attributes of high performance thin layer chromatography (HPTLC) compared with rival column techniques. Two advanced applications in planar chromatography are described to illustrate the potential of this technique: bioactivity-based detection and coupling with mass spectrometry (MS).},\n\tnumber = {21},\n\tjournal = {LC/GC Europe},\n\tauthor = {Morlock, G. and Schwack, W.},\n\tyear = {2008},\n\tkeywords = {LTQ, Thermo},\n\tpages = {366--371},\n}\n\n\n\n
\n
\n\n\n
\n The importance of planar chromatography, particularly thin layer chromatography (TLC), is vastly underestimated. This article highlights the unique attributes of high performance thin layer chromatography (HPTLC) compared with rival column techniques. Two advanced applications in planar chromatography are described to illustrate the potential of this technique: bioactivity-based detection and coupling with mass spectrometry (MS).\n
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\n \n\n \n \n \n \n \n \n Automated determination of precursor ion, product ion, and neutral loss compositions and deconvolution of composite mass spectra using ion correlation based on exact masses and relative isotopic abundances.\n \n \n \n \n\n\n \n Grange, A. H.; and Sovocool, G. W.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 22(15): 2375–2390. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"AutomatedPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_automated_2008,\n\ttitle = {Automated determination of precursor ion, product ion, and neutral loss compositions and deconvolution of composite mass spectra using ion correlation based on exact masses and relative isotopic abundances},\n\tvolume = {22},\n\tissn = {1097-0231},\n\turl = {internal-pdf://RCM_2008_22_2375-2390-0882874655/RCM_2008_22_2375-2390.pdf},\n\tabstract = {After an accidental, deliberate, or weather-related dispersion of chemicals (dispersive event), rapid determination of elemental compositions of ions in mass spectra is essential for tentatively identifying compounds. A direct analysis in real time (DART)® ion source interfaced to a JEOL AccuTOF® mass spectrometer provided exact masses accurate to within 2 mDa for most ions in full scan mass spectra and relative isotopic abundances (RIAs) accurate to within 15-20\\% for abundant isotopic ions. To speed determination of the correct composition for precursor ions and most product ions and neutral losses, a three-part software suite was developed. Starting with text files of m/z ratios and their ion abundances from mass spectra acquired at low, moderate, and high collision energies, the ion extraction program (IEP) compiled lists for the most abundant monoisotopic ions of their exact masses and the RIAs of the +1 and +2 isotopic peaks when abundance thresholds were met; precursor ions; and higher-mass, precursor-related species. The ion correlation program (ICP) determined if a precursor ion composition could yield a product ion and corresponding neutral loss compositions for each product ion in turn. The input and output program (IOP) provided the ICP with each precursor ion:product ion pair for multiple sets of error limits and prepared correlation lists for single or multiple precursor ions. The software determined the correct precursor ion compositions for 21 individual standards and for three- and seven-component mixtures. Partial deconvolution of composite mass spectra was achieved based on exact masses and RIAs, rather than on chromatography. Published in 2008 by John Wiley \\& Sons, Ltd.},\n\tnumber = {15},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Grange, Andrew H. and Sovocool, G. Wayne},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {2375--2390},\n}\n\n\n\n
\n
\n\n\n
\n After an accidental, deliberate, or weather-related dispersion of chemicals (dispersive event), rapid determination of elemental compositions of ions in mass spectra is essential for tentatively identifying compounds. A direct analysis in real time (DART)® ion source interfaced to a JEOL AccuTOF® mass spectrometer provided exact masses accurate to within 2 mDa for most ions in full scan mass spectra and relative isotopic abundances (RIAs) accurate to within 15-20% for abundant isotopic ions. To speed determination of the correct composition for precursor ions and most product ions and neutral losses, a three-part software suite was developed. Starting with text files of m/z ratios and their ion abundances from mass spectra acquired at low, moderate, and high collision energies, the ion extraction program (IEP) compiled lists for the most abundant monoisotopic ions of their exact masses and the RIAs of the +1 and +2 isotopic peaks when abundance thresholds were met; precursor ions; and higher-mass, precursor-related species. The ion correlation program (ICP) determined if a precursor ion composition could yield a product ion and corresponding neutral loss compositions for each product ion in turn. The input and output program (IOP) provided the ICP with each precursor ion:product ion pair for multiple sets of error limits and prepared correlation lists for single or multiple precursor ions. The software determined the correct precursor ion compositions for 21 individual standards and for three- and seven-component mixtures. Partial deconvolution of composite mass spectra was achieved based on exact masses and RIAs, rather than on chromatography. Published in 2008 by John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n \n An Integrated Wipe Sample Transport/Autosampler to Maximize Throughput for a Direct Analysis in Real Time (DART)/Orthogonal Acceleration, Time-of-Flight Mass Spectrometer (oa-TOFMS).\n \n \n \n \n\n\n \n Grange, A. H.\n\n\n \n\n\n\n Environmental Forensics, 9(2): 137 – 143. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_integrated_2008,\n\ttitle = {An {Integrated} {Wipe} {Sample} {Transport}/{Autosampler} to {Maximize} {Throughput} for a {Direct} {Analysis} in {Real} {Time} ({DART})/{Orthogonal} {Acceleration}, {Time}-of-{Flight} {Mass} {Spectrometer} (oa-{TOFMS})},\n\tvolume = {9},\n\tissn = {1527-5922},\n\turl = {internal-pdf://Environ_Forensics_2008_9_137-143-2443039775/Environ_Forensics_2008_9_137-143.pdf},\n\tabstract = {A wipe sample transport was designed and built to meet two objectives: to simplify collection, storage, and transport of cotton swab wipe samples and to provide a sample train of 72 wipe samples nearly ready for analysis when the swabs reach the laboratory. The cotton swabs are mounted on an Al rod that is the sample support for an autosampler used to perform direct analysis in real time (DART)/orthogonal acceleration, time-of-flight mass spectrometry (oa-TOFMS) analyses. The goal is for one analyst to analyze 1000 wipe samples mounted on 14 Al rods in one 8-h shift.},\n\tnumber = {2},\n\tjournal = {Environmental Forensics},\n\tauthor = {Grange, Andrew H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {137 -- 143},\n}\n\n\n\n
\n
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\n A wipe sample transport was designed and built to meet two objectives: to simplify collection, storage, and transport of cotton swab wipe samples and to provide a sample train of 72 wipe samples nearly ready for analysis when the swabs reach the laboratory. The cotton swabs are mounted on an Al rod that is the sample support for an autosampler used to perform direct analysis in real time (DART)/orthogonal acceleration, time-of-flight mass spectrometry (oa-TOFMS) analyses. The goal is for one analyst to analyze 1000 wipe samples mounted on 14 Al rods in one 8-h shift.\n
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\n \n\n \n \n \n \n \n \n An Autosampler and Field Sample Carrier for Maximizing Throughput Using an Open-Air Source for MS.\n \n \n \n \n\n\n \n Grange, A.\n\n\n \n\n\n\n American Laboratory, 40(16): 11–13. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"AnPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{grange_autosampler_2008,\n\ttitle = {An {Autosampler} and {Field} {Sample} {Carrier} for {Maximizing} {Throughput} {Using} an {Open}-{Air} {Source} for {MS}},\n\tvolume = {40},\n\turl = {internal-pdf://Amer_Lab_2008_40_11-13-3718144287/Amer_Lab_2008_40_11-13.pdf},\n\tnumber = {16},\n\tjournal = {American Laboratory},\n\tauthor = {Grange, A.H.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {11--13},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n A Collaborative Epidemiological Investigation into the Criminal Fake Artesunate Trade in South East Asia.\n \n \n \n \n\n\n \n Newton, P. N.; Fernandez, F. M.; Plancon, A.; Mildenhall, D. C.; Green, M. D.; Ziyong, L.; Christophel, E. M.; Phanouvong, S.; Howells, S.; McIntosh, E.; Laurin, P.; Blum, N.; Hampton, C. Y.; Faure, K.; Nyadong, L.; Soong, C. W. R.; Santoso, B.; Zhiguang, W.; Newton, J.; and Palmer, K.\n\n\n \n\n\n\n PLoS Medicine, 5(2): e32. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"APaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{newton_collaborative_2008,\n\ttitle = {A {Collaborative} {Epidemiological} {Investigation} into the {Criminal} {Fake} {Artesunate} {Trade} in {South} {East} {Asia}},\n\tvolume = {5},\n\turl = {internal-pdf://PLoS_Medicine_2008_5_e32-1151611423/PLoS_Medicine_2008_5_e32.pdf},\n\tabstract = {BackgroundSince 1998 the serious public health problem in South East Asia of counterfeit artesunate, containing no or subtherapeutic amounts of the active antimalarial ingredient, has led to deaths from untreated malaria, reduced confidence in this vital drug, large economic losses for the legitimate manufacturers, and concerns that artemisinin resistance might be engendered.Methods and FindingsWith evidence of a deteriorating situation, a group of police, criminal analysts, chemists, palynologists, and health workers collaborated to determine the source of these counterfeits under the auspices of the International Criminal Police Organization (INTERPOL) and the Western Pacific World Health Organization Regional Office. A total of 391 samples of genuine and counterfeit artesunate collected in Vietnam (75), Cambodia (48), Lao PDR (115), Myanmar (Burma) (137) and the Thai/Myanmar border (16), were available for analysis. Sixteen different fake hologram types were identified. High-performance liquid chromatography and/or mass spectrometry confirmed that all specimens thought to be counterfeit (195/391, 49.9\\%) on the basis of packaging contained no or small quantities of artesunate (up to 12 mg per tablet as opposed to ∼ 50 mg per genuine tablet). Chemical analysis demonstrated a wide diversity of wrong active ingredients, including banned pharmaceuticals, such as metamizole, and safrole, a carcinogen, and raw material for manufacture of methylenedioxymethamphetamine (‘ecstasy'). Evidence from chemical, mineralogical, biological, and packaging analysis suggested that at least some of the counterfeits were manufactured in southeast People's Republic of China. This evidence prompted the Chinese Government to act quickly against the criminal traders with arrests and seizures.ConclusionsAn international multi-disciplinary group obtained evidence that some of the counterfeit artesunate was manufactured in China, and this prompted a criminal investigation. International cross-disciplinary collaborations may be appropriate in the investigation of other serious counterfeit medicine public health problems elsewhere, but strengthening of international collaborations and forensic and drug regulatory authority capacity will be required.},\n\tnumber = {2},\n\tjournal = {PLoS Medicine},\n\tauthor = {Newton, Paul N. and Fernandez, Facundo M. and Plancon, Aline and Mildenhall, Dallas C. and Green, Michael D. and Ziyong, Li and Christophel, Eva Maria and Phanouvong, Souly and Howells, Stephen and McIntosh, Eric and Laurin, Paul and Blum, Nancy and Hampton, Christina Y. and Faure, Kevin and Nyadong, Leonard and Soong, C. W. Ray and Santoso, Budiono and Zhiguang, Wang and Newton, John and Palmer, Kevin},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {e32},\n}\n\n\n\n
\n
\n\n\n
\n BackgroundSince 1998 the serious public health problem in South East Asia of counterfeit artesunate, containing no or subtherapeutic amounts of the active antimalarial ingredient, has led to deaths from untreated malaria, reduced confidence in this vital drug, large economic losses for the legitimate manufacturers, and concerns that artemisinin resistance might be engendered.Methods and FindingsWith evidence of a deteriorating situation, a group of police, criminal analysts, chemists, palynologists, and health workers collaborated to determine the source of these counterfeits under the auspices of the International Criminal Police Organization (INTERPOL) and the Western Pacific World Health Organization Regional Office. A total of 391 samples of genuine and counterfeit artesunate collected in Vietnam (75), Cambodia (48), Lao PDR (115), Myanmar (Burma) (137) and the Thai/Myanmar border (16), were available for analysis. Sixteen different fake hologram types were identified. High-performance liquid chromatography and/or mass spectrometry confirmed that all specimens thought to be counterfeit (195/391, 49.9%) on the basis of packaging contained no or small quantities of artesunate (up to 12 mg per tablet as opposed to ∼ 50 mg per genuine tablet). Chemical analysis demonstrated a wide diversity of wrong active ingredients, including banned pharmaceuticals, such as metamizole, and safrole, a carcinogen, and raw material for manufacture of methylenedioxymethamphetamine (‘ecstasy'). Evidence from chemical, mineralogical, biological, and packaging analysis suggested that at least some of the counterfeits were manufactured in southeast People's Republic of China. This evidence prompted the Chinese Government to act quickly against the criminal traders with arrests and seizures.ConclusionsAn international multi-disciplinary group obtained evidence that some of the counterfeit artesunate was manufactured in China, and this prompted a criminal investigation. International cross-disciplinary collaborations may be appropriate in the investigation of other serious counterfeit medicine public health problems elsewhere, but strengthening of international collaborations and forensic and drug regulatory authority capacity will be required.\n
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\n \n\n \n \n \n \n \n \n Analytical Strategy for Rapid Identification and Quantification of Lubricant Additives in Mineral Oil by High-Performance Thin-Layer Chromatography with UV Absorption and Fluorescence Detection Combined with Mass Spectrometry and Infrared Spectroscopy.\n \n \n \n \n\n\n \n Dytkiewitz, E.; and Morlock, G. E.\n\n\n \n\n\n\n Journal of AOAC International, 91(5): 1237–1244. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"AnalyticalPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{dytkiewitz_analytical_2008,\n\ttitle = {Analytical {Strategy} for {Rapid} {Identification} and {Quantification} of {Lubricant} {Additives} in {Mineral} {Oil} by {High}-{Performance} {Thin}-{Layer} {Chromatography} with {UV} {Absorption} and {Fluorescence} {Detection} {Combined} with {Mass} {Spectrometry} and {Infrared} {Spectroscopy}},\n\tvolume = {91},\n\turl = {internal-pdf://J_AOAC_Int_2008_91_1237-1244-1100738591/J_AOAC_Int_2008_91_1237-1244.pdf},\n\tabstract = {A simple strategy for identification and quantification of lubricant additives in mineral oil was demonstrated by high-performance thin-layer chromatography with UV absorption and fluorescence detection using various coupling options, e.g., with attenuated total reflectance infrared (ATR-IR) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, electrospray ionization mass spectrometry (ESI-MS), and direct analysis in real-time mass spectrometry (DART-MS). For the additives zinc bis(O,O'-diisobutyl dithiophosphate), zinc bis(O,O'-didodecyl dithiophosphate), and Anglamol 99®, 2 chromatographic systems were developed, i.e., a reversed-phase (RP) system on RP2 plates using an acetonitrile-based mobile phase and a normal-phase system on silica gel 60 plates using a toluene-based gradient. Densitometry was performed by absorption measurement at 220 nm. Repeatabilities (relative standard deviation, n = 6) between 2.2 and 5.5\\% and correlation coefficients {\\textbackslash}textgreater0.9973 were highly satisfactory for the analysis of these additives in the mineral oil. Primuline reagent was used to improve the detection limit of the lipophilic additives by a factor of 2, followed by fluorescence measurement at UV 366/{\\textbackslash}textgreater400 nm. For rapid identification by ATR-IR and FTIR, the respective additive zones on the plate were online extracted by an interface called ChromeXtract, concentrated, and directly applied for measurements in the wave number range of 4000–400 cm−1. Identification was confirmed by online ESI-MS within a minute using ChromeXtract and by DART-MS within seconds.},\n\tnumber = {5},\n\tjournal = {Journal of AOAC International},\n\tauthor = {Dytkiewitz, Elisabeth and Morlock, Gertrud E.},\n\tyear = {2008},\n\tkeywords = {Agilent, Quad},\n\tpages = {1237--1244},\n}\n\n\n\n
\n
\n\n\n
\n A simple strategy for identification and quantification of lubricant additives in mineral oil was demonstrated by high-performance thin-layer chromatography with UV absorption and fluorescence detection using various coupling options, e.g., with attenuated total reflectance infrared (ATR-IR) spectroscopy, Fourier transform infrared (FTIR) spectroscopy, electrospray ionization mass spectrometry (ESI-MS), and direct analysis in real-time mass spectrometry (DART-MS). For the additives zinc bis(O,O'-diisobutyl dithiophosphate), zinc bis(O,O'-didodecyl dithiophosphate), and Anglamol 99®, 2 chromatographic systems were developed, i.e., a reversed-phase (RP) system on RP2 plates using an acetonitrile-based mobile phase and a normal-phase system on silica gel 60 plates using a toluene-based gradient. Densitometry was performed by absorption measurement at 220 nm. Repeatabilities (relative standard deviation, n = 6) between 2.2 and 5.5% and correlation coefficients \\textgreater0.9973 were highly satisfactory for the analysis of these additives in the mineral oil. Primuline reagent was used to improve the detection limit of the lipophilic additives by a factor of 2, followed by fluorescence measurement at UV 366/\\textgreater400 nm. For rapid identification by ATR-IR and FTIR, the respective additive zones on the plate were online extracted by an interface called ChromeXtract, concentrated, and directly applied for measurements in the wave number range of 4000–400 cm−1. Identification was confirmed by online ESI-MS within a minute using ChromeXtract and by DART-MS within seconds.\n
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\n \n\n \n \n \n \n \n \n Analysis of Deoxynivalenol in Beer.\n \n \n \n \n\n\n \n Hajslova, J.; Vaclavik, L.; Cajka, T.; Poustka, J.; and Schurek, J.\n\n\n \n\n\n\n 2008.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@book{hajslova_analysis_2008,\n\ttitle = {Analysis of {Deoxynivalenol} in {Beer}},\n\turl = {http://chromatographyonline.findanalytichem.com/lcgc/Articles/Analysis-of-Deoxynivalenol-in-Beer/ArticleStandard/Article/detail/547873},\n\tauthor = {Hajslova, Jana and Vaclavik, Lukas and Cajka, Tomas and Poustka, Jan and Schurek, Jakub},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Detection of Chemical Warfare Agents on Surfaces Relevant to Homeland Security by Direct Analysis in Real-Time Spectrometry.\n \n \n \n \n\n\n \n Laramée, J.; Durst, H.; Connell, T.; and Nilles, J.\n\n\n \n\n\n\n American Laboratory, 40: 16–20. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"DetectionPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{laramae_detection_2008,\n\ttitle = {Detection of {Chemical} {Warfare} {Agents} on {Surfaces} {Relevant} to {Homeland} {Security} by {Direct} {Analysis} in {Real}-{Time} {Spectrometry}.},\n\tvolume = {40},\n\turl = {internal-pdf://Amer_Lab_2008_40_16-20-1017209375/Amer_Lab_2008_40_16-20.pdf},\n\tjournal = {American Laboratory},\n\tauthor = {Laramée, J.A. and Durst, H.D and Connell, T.R. and Nilles, J.M.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {16--20},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Characterization of “Yaa Chud” Medicine on the Thailand–Myanmar Border: Selecting for Drug-resistant Malaria and Threatening Public Health.\n \n \n \n \n\n\n \n Newton, P. N.; Hampton, C. Y.; Alter-Hall, K.; Teerwarakulpana, T.; Prakongpan, S.; Ruangveerayuth, R.; White, N. J.; Day, N. P. J.; Tudino, M. B.; Mancuso, N.; and Fernández, F. M.\n\n\n \n\n\n\n The American Journal of Tropical Medicine and Hygiene, 79(5): 662 –669. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{newton_characterization_2008,\n\ttitle = {Characterization of “{Yaa} {Chud}” {Medicine} on the {Thailand}–{Myanmar} {Border}: {Selecting} for {Drug}-resistant {Malaria} and {Threatening} {Public} {Health}},\n\tvolume = {79},\n\turl = {http://www.ajtmh.org/content/79/5/662.abstract},\n\tabstract = {Multidrug-resistant Plasmodium falciparum malaria is a severe public health problem on the Thailand–Myanmar border. Many villagers buy packets of 4–5 mixed medicines (“yaa chud”) from shops without medical assessment as their first-line malaria treatment. In 2000–2001 a local researcher purchased 50 yaa chud from 44 shops around Mae Sot, Thailand and Myawaddy, Myanmar (Burma), for his wife who was said to be pregnant with fever and drowsiness. The tablets/capsules were provisionally identified by appearance and active ingredients determined in a subset by using mass and atomic spectrometry. The most frequently detected active ingredients were acetaminophen (22\\%), chlorpheniramine (13.4\\%), chloroquine (12.6\\%), tetracycline/doxycycline (11.4\\%), and quinine (5.1\\%). Only seven bags contained potentially curative medicine for malaria. A total of 82\\% of the bags contained medicines contraindicated in pregnancy. Inappropriate, ineffective antimalarial drugs on the Thailand–Myanmar border are likely to increase malaria morbidity, mortality and health costs and engender the emergence and spread of antimalarial drug resistance.},\n\tnumber = {5},\n\tjournal = {The American Journal of Tropical Medicine and Hygiene},\n\tauthor = {Newton, Paul N. and Hampton, Christina Y. and Alter-Hall, Krystyn and Teerwarakulpana, Thanongsak and Prakongpan, Sompol and Ruangveerayuth, Ronnatrai and White, Nicholas J. and Day, Nicholas P. J. and Tudino, Mabel B. and Mancuso, Natalia and Fernández, Facundo M.},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {662 --669},\n}\n\n\n\n
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\n Multidrug-resistant Plasmodium falciparum malaria is a severe public health problem on the Thailand–Myanmar border. Many villagers buy packets of 4–5 mixed medicines (“yaa chud”) from shops without medical assessment as their first-line malaria treatment. In 2000–2001 a local researcher purchased 50 yaa chud from 44 shops around Mae Sot, Thailand and Myawaddy, Myanmar (Burma), for his wife who was said to be pregnant with fever and drowsiness. The tablets/capsules were provisionally identified by appearance and active ingredients determined in a subset by using mass and atomic spectrometry. The most frequently detected active ingredients were acetaminophen (22%), chlorpheniramine (13.4%), chloroquine (12.6%), tetracycline/doxycycline (11.4%), and quinine (5.1%). Only seven bags contained potentially curative medicine for malaria. A total of 82% of the bags contained medicines contraindicated in pregnancy. Inappropriate, ineffective antimalarial drugs on the Thailand–Myanmar border are likely to increase malaria morbidity, mortality and health costs and engender the emergence and spread of antimalarial drug resistance.\n
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\n \n\n \n \n \n \n \n \n Analysis of Deoxynivalenol in Beer.\n \n \n \n \n\n\n \n Hajslova, J.; Vaclavik, L.; Cajka, T.; Poustka, J.; and Schurek, J.\n\n\n \n\n\n\n 2008.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@misc{hajslova_analysis_2008,\n\ttitle = {Analysis of {Deoxynivalenol} in {Beer}},\n\turl = {http://chromatographyonline.findanalytichem.com/lcgc/Articles/Analysis-of-Deoxynivalenol-in-Beer/ArticleStandard/Article/detail/547873},\n\tjournal = {LCGC: Chromatography Online},\n\tauthor = {Hajslova, Jana and Vaclavik, Lukas and Cajka, Tomas and Poustka, Jan and Schurek, Jakub},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid and sensitive determination of acrylamide in drinking water by planar chromatography and fluorescence detection after derivatization with dansulfinic acid.\n \n \n \n \n\n\n \n Alpmann, A.; and Morlock, G.\n\n\n \n\n\n\n Journal of Separation Science, 31(1): 71–77. 2008.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{alpmann_rapid_2008,\n\ttitle = {Rapid and sensitive determination of acrylamide in drinking water by planar chromatography and fluorescence detection after derivatization with dansulfinic acid},\n\tvolume = {31},\n\tissn = {1615-9314},\n\turl = {http://dx.doi.org/10.1002/jssc.200700391},\n\tabstract = {On the basis of a novel derivatization, a new planar chromatographic method has been developed for the determination of acrylamide (AA) in drinking water at the ultra-trace level. After SPE, the water extracts were oversprayed on a high-performance thin-layer chromatography (HPTLC) silica gel plate with the derivatization agent dansulfinic acid and derivatized in situ. Chromatography was performed with ethyl acetate and the fluorescent product was quantified at 366/{\\textgreater}400 nm. Verification was based on HPTLC-ESI/MS, HPTLC-direct analysis in real-time (DART)-TOF/MS and NMR. The routine HPTLC-fluorescence detection (FLD) method was validated for spiked drinking water. The regression analysis was linear (r {\\textgreater}0.9918) in the range of 0.1-0.4 mug/L. LOD was calculated to be 0.025 mug/L and experimentally proved for spiked samples at levels down to 0.05 mug/L (S/N = 6) which was suited for monitoring the EU limit value of 0.1 mug/L in drinking water (0.5 mug/L demanded by World Health Organization (WHO)/US Environmental Protection Agency (EPA)). Within-run precision and the mean between-run precision (RSD, n = 3, three concentration levels each) were evaluated to be 4.8 and 11.0\\%, respectively. The mean recovery (0.1, 0.2, and 0.3 mug/L) was 96\\% corrected by the internal standard. The method, in comparison with HPLC-MS/MS showed comparable results and demonstrated the accuracy of the method.},\n\tnumber = {1},\n\tjournal = {Journal of Separation Science},\n\tauthor = {Alpmann, Alexander and Morlock, Gertrud},\n\tyear = {2008},\n\tkeywords = {AccuTOF},\n\tpages = {71--77},\n}\n\n\n\n
\n
\n\n\n
\n On the basis of a novel derivatization, a new planar chromatographic method has been developed for the determination of acrylamide (AA) in drinking water at the ultra-trace level. After SPE, the water extracts were oversprayed on a high-performance thin-layer chromatography (HPTLC) silica gel plate with the derivatization agent dansulfinic acid and derivatized in situ. Chromatography was performed with ethyl acetate and the fluorescent product was quantified at 366/\\textgreater400 nm. Verification was based on HPTLC-ESI/MS, HPTLC-direct analysis in real-time (DART)-TOF/MS and NMR. The routine HPTLC-fluorescence detection (FLD) method was validated for spiked drinking water. The regression analysis was linear (r \\textgreater0.9918) in the range of 0.1-0.4 mug/L. LOD was calculated to be 0.025 mug/L and experimentally proved for spiked samples at levels down to 0.05 mug/L (S/N = 6) which was suited for monitoring the EU limit value of 0.1 mug/L in drinking water (0.5 mug/L demanded by World Health Organization (WHO)/US Environmental Protection Agency (EPA)). Within-run precision and the mean between-run precision (RSD, n = 3, three concentration levels each) were evaluated to be 4.8 and 11.0%, respectively. The mean recovery (0.1, 0.2, and 0.3 mug/L) was 96% corrected by the internal standard. The method, in comparison with HPLC-MS/MS showed comparable results and demonstrated the accuracy of the method.\n
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\n  \n 2007\n \n \n (134)\n \n \n
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\n \n\n \n \n \n \n \n Comparison of the Novel Direct Analysis in Real Time Time-of-Flight Mass Spectrometry (AccuTOF-DART™) and Signature Analysis for the Identification of Constituents of Refined Illicit Cocaine.\n \n \n \n\n\n \n Ropero-Miller, J. D. S.; Bynum, N. D; and Casale., J. F.\n\n\n \n\n\n\n Microgram Journal, 5(1-4): 5. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{ropero-miller_comparison_2007,\n\ttitle = {Comparison of the {Novel} {Direct} {Analysis} in {Real} {Time} {Time}-of-{Flight} {Mass} {Spectrometry} ({AccuTOF}-{DART}™) and {Signature} {Analysis} for the {Identification} of {Constituents} of {Refined} {Illicit} {Cocaine}},\n\tvolume = {5},\n\tabstract = {The characterization of 25 illicit cocaine samples by a novel application of direct analysis in real time (DART) sample introduction coupled with time-of-flight mass spectrometry (TOF-MS) and cocaine signature analyses is provided. The AccuTOF-DART™ analysis of the cocaine samples resulted in the detection of most analytes, although some compounds were not detected. This new technique is easy, rapid, requires very little sample, and can be used to screen even complex mixtures. Potential applications, including use for signature analyses of controlled substances, are discussed.},\n\tnumber = {1-4},\n\tjournal = {Microgram Journal},\n\tauthor = {Ropero-Miller, Jeri D. Stout and Bynum, Nichole D and Casale., John F.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {5},\n}\n\n\n\n
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\n The characterization of 25 illicit cocaine samples by a novel application of direct analysis in real time (DART) sample introduction coupled with time-of-flight mass spectrometry (TOF-MS) and cocaine signature analyses is provided. The AccuTOF-DART™ analysis of the cocaine samples resulted in the detection of most analytes, although some compounds were not detected. This new technique is easy, rapid, requires very little sample, and can be used to screen even complex mixtures. Potential applications, including use for signature analyses of controlled substances, are discussed.\n
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\n \n\n \n \n \n \n \n \n Characterization and differentiation of high energy amine peroxides by direct analysis in real time TOF/MS.\n \n \n \n \n\n\n \n Peña-Quevedo, A. J.; Cody, R.; Mina-Camilde, N.; Ramos, M.; and Hernández-Rivera, S. P.\n\n\n \n\n\n\n Proc. SPIE, 6538: 653828–653828. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{pena-quevedo_characterization_2007,\n\ttitle = {Characterization and differentiation of high energy amine peroxides by direct analysis in real time {TOF}/{MS}},\n\tvolume = {6538},\n\turl = {http://dx.doi.org/10.1117/12.720577},\n\tdoi = {10.1117/12.720577},\n\tabstract = {Characterization of hexamethelene triperoxide diamine (HMTD), tetramethylene diperoxide dicarbamide (TMDD) and tetramethylene diperoxide acetamide (TMDA) has been carried out using Direct Analysis in Real Time/Time of Flight Mass Spectrometry (DART-TOF/MS). The study also centered in the detection of their precursors such as hexamine and formaldehyde. Analysis of the compounds by GC-MS was also conducted. HMTD shows a clear peak at 209 m/z that allowed its detection in standard solutions and lab made standards. TATP samples with deuterium enrichment are being analyzed to compare results that could differentiate from HMTD and similar substances. All samples were characterized by Raman and FT-IR to confirm the DART results. Some of the vibrations observed were in the ν(O-O), ν(N-C), ν(N-H), ν(C-O), δ(CH3-C) and δ(C-O). Development methodology for trace detection was compared with GC/MS and HPLC-MS results previously presented for HMTD and TATP.},\n\tjournal = {Proc. SPIE},\n\tauthor = {Peña-Quevedo, Alvaro J. and Cody, Robert and Mina-Camilde, Nairmen and Ramos, Mildred and Hernández-Rivera, Samuel P.},\n\tyear = {2007},\n\tpages = {653828--653828},\n}\n\n\n\n
\n
\n\n\n
\n Characterization of hexamethelene triperoxide diamine (HMTD), tetramethylene diperoxide dicarbamide (TMDD) and tetramethylene diperoxide acetamide (TMDA) has been carried out using Direct Analysis in Real Time/Time of Flight Mass Spectrometry (DART-TOF/MS). The study also centered in the detection of their precursors such as hexamine and formaldehyde. Analysis of the compounds by GC-MS was also conducted. HMTD shows a clear peak at 209 m/z that allowed its detection in standard solutions and lab made standards. TATP samples with deuterium enrichment are being analyzed to compare results that could differentiate from HMTD and similar substances. All samples were characterized by Raman and FT-IR to confirm the DART results. Some of the vibrations observed were in the ν(O-O), ν(N-C), ν(N-H), ν(C-O), δ(CH3-C) and δ(C-O). Development methodology for trace detection was compared with GC/MS and HPLC-MS results previously presented for HMTD and TATP.\n
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\n \n\n \n \n \n \n \n Direct analysis for fragrance ingredients using DART-TOFMS.\n \n \n \n\n\n \n Saitoh, K.\n\n\n \n\n\n\n Aroma Research, 8(4): 366–369. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{saitoh_direct_2007,\n\ttitle = {Direct analysis for fragrance ingredients using {DART}-{TOFMS}},\n\tvolume = {8},\n\tnumber = {4},\n\tjournal = {Aroma Research},\n\tauthor = {Saitoh, K.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {366--369},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Analysis of Self-Assembled Monolayers on Gold Surfaces Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Kpegba, K.; Spadaro, T.; Cody, R. B.; Nesnas, N.; and Olson, J. A.\n\n\n \n\n\n\n Analytical Chemistry, 79(14): 5479–5483. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kpegba_analysis_2007,\n\ttitle = {Analysis of {Self}-{Assembled} {Monolayers} on {Gold} {Surfaces} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {79},\n\tissn = {0003-2700},\n\tabstract = {Abstract: Mass spectrometry was performed on self-assembled monolayers (SAMs) of dodecanethiol on gold using the new direct analysis in real time (DART) ionization technique. Observed peaks for the SAMs included monomers, dimers, and trimers of the SAM molecules, with the dimer and trimer relative peak heights enhanced as compared to the spectra for neat dodecanethiol. The possibility that the observed peaks were due to residual (noncovalently bonded) material on the surface was tested by attempting to observe residual dodecanol. No peaks corresponding to dodecanol were observed. These results indicate that DART is an excellent ionization method for the direct and unambiguous mass analysis of chemical species in self-assembled monolayers.},\n\tnumber = {14},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Kpegba, K. and Spadaro, T. and Cody, R. B. and Nesnas, N. and Olson, J. A.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {5479--5483},\n}\n\n\n\n
\n
\n\n\n
\n Abstract: Mass spectrometry was performed on self-assembled monolayers (SAMs) of dodecanethiol on gold using the new direct analysis in real time (DART) ionization technique. Observed peaks for the SAMs included monomers, dimers, and trimers of the SAM molecules, with the dimer and trimer relative peak heights enhanced as compared to the spectra for neat dodecanethiol. The possibility that the observed peaks were due to residual (noncovalently bonded) material on the surface was tested by attempting to observe residual dodecanol. No peaks corresponding to dodecanol were observed. These results indicate that DART is an excellent ionization method for the direct and unambiguous mass analysis of chemical species in self-assembled monolayers.\n
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\n \n\n \n \n \n \n \n \n Direct mass spectrometric analysis of flavors and fragrances in real applications using DART.\n \n \n \n \n\n\n \n Haefliger, O. P.; and Jeckelmann, N.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 21(8): 1361–1366. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haefliger_direct_2007,\n\ttitle = {Direct mass spectrometric analysis of flavors and fragrances in real applications using {DART}},\n\tvolume = {21},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.2969},\n\tdoi = {10.1002/rcm.2969},\n\tabstract = {DART (Direct Analysis in Real Time) is an innovative technology to analyze complex solid samples at atmospheric pressure and ground potential by simply placing them between a DART ion source and a mass spectrometer. The analytes are ionized by a gun of neutral metastable species. The first examples of the application of DART to the analysis of flavor and fragrance raw materials in real, complex applications are reported here. A remarkably high potential of the technique is demonstrated. DART was applied to semi-quantitative analyses of perfumery raw materials deposited on smelling strips. In optimal cases, limits of detection around 100 pg were achieved. DART also allowed the assessment of the deposition and release of fragrance on surfaces such as fabric and hair. Finally, DART permitted the screening of twelve chewing gum samples for the possible presence of taste-refreshing compounds in less than 30 min. Copyright © 2007 John Wiley \\& Sons, Ltd.},\n\tnumber = {8},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Haefliger, Olivier P. and Jeckelmann, Nicolas},\n\tyear = {2007},\n\tkeywords = {Thermo TSQ},\n\tpages = {1361--1366},\n}\n\n\n\n
\n
\n\n\n
\n DART (Direct Analysis in Real Time) is an innovative technology to analyze complex solid samples at atmospheric pressure and ground potential by simply placing them between a DART ion source and a mass spectrometer. The analytes are ionized by a gun of neutral metastable species. The first examples of the application of DART to the analysis of flavor and fragrance raw materials in real, complex applications are reported here. A remarkably high potential of the technique is demonstrated. DART was applied to semi-quantitative analyses of perfumery raw materials deposited on smelling strips. In optimal cases, limits of detection around 100 pg were achieved. DART also allowed the assessment of the deposition and release of fragrance on surfaces such as fabric and hair. Finally, DART permitted the screening of twelve chewing gum samples for the possible presence of taste-refreshing compounds in less than 30 min. Copyright © 2007 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Forensic Application of DART (Direct Analysis in Real Time) Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; Cody, R. B.; Nilles, J. M.; and Durst, H. D.\n\n\n \n\n\n\n In Blackledge, R. D., editor(s), Forensic Analysis on the Cutting Edge: New Methods for Trace Evidence Analysis. Wiley-Interscience, Hoboken, NJ, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@incollection{laramee_forensic_2007,\n\taddress = {Hoboken, NJ},\n\ttitle = {Forensic {Application} of {DART} ({Direct} {Analysis} in {Real} {Time}) {Mass} {Spectrometry}},\n\tisbn = {978-0-471-71644-0},\n\tabstract = {Summary\n\nThis chapter contains sections titled:\n    Introduction\n    Experimental\n    Drug and Pharmaceutical Analysis\n    Samples from the Human Body\n    Condom Lubricants\n    Dyes\n    Explosives\n    Arson Accelerants\n    Chemical Warfare Agents\n    Elevated-Temperature DART for Material Identification\n    Glues\n    Plastics\n    Fibers\n    Identification of Inks\n    Conclusion\n    Acknowledgments\n    References},\n\tbooktitle = {Forensic {Analysis} on the {Cutting} {Edge}: {New} {Methods} for {Trace} {Evidence} {Analysis}},\n\tpublisher = {Wiley-Interscience},\n\tauthor = {Laramée, J. A. and Cody, R. B. and Nilles, J. M. and Durst, H. D.},\n\teditor = {Blackledge, Robert D.},\n\tyear = {2007},\n\tkeywords = {DART; forensic; trace; evidence; AccuTOF},\n}\n\n\n\n
\n
\n\n\n
\n Summary This chapter contains sections titled: Introduction Experimental Drug and Pharmaceutical Analysis Samples from the Human Body Condom Lubricants Dyes Explosives Arson Accelerants Chemical Warfare Agents Elevated-Temperature DART for Material Identification Glues Plastics Fibers Identification of Inks Conclusion Acknowledgments References\n
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\n \n\n \n \n \n \n \n Coupling Planar Chromatography with Time-of-Flight Mass Spectrometry Using an Open-Air Ion Source.\n \n \n \n\n\n \n Morlock, G.; and Ueda, Y.\n\n\n \n\n\n\n LCGC: The Peak,7–13. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{morlock_coupling_2007,\n\ttitle = {Coupling {Planar} {Chromatography} with {Time}-of-{Flight} {Mass} {Spectrometry} {Using} an {Open}-{Air} {Ion} {Source}},\n\tjournal = {LCGC: The Peak},\n\tauthor = {Morlock, G. and Ueda, Y.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {7--13},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Fundamental and application of the direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Kusai, A.\n\n\n \n\n\n\n Bunseki, 3: 124–127. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kusai_fundamental_2007,\n\ttitle = {Fundamental and application of the direct analysis in real time mass spectrometry},\n\tvolume = {3},\n\tjournal = {Bunseki},\n\tauthor = {Kusai, A.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {124--127},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n New coupling of planar chromatography with direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Morlock, G.; and Ueda, Y.\n\n\n \n\n\n\n Journal of Chromatography A, 1143(1-2): 243–251. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{morlock_new_2007,\n\ttitle = {New coupling of planar chromatography with direct analysis in real time mass spectrometry},\n\tvolume = {1143},\n\tabstract = {The coupling of planar chromatography with direct analysis in real time time-of-flight mass spectrometry (DART-TOF-MS) was shown for the first time. Cutting the plate within a track led to substance zones positioned on the plate edge which were directly introduced into the DART gas stream. Mass signals were obtained instantaneously within seconds. Detectability was shown in the very low ng-range per zone on the example of isopropylthioxanthone. The coupling was perfectly suited for identification and qualitative purposes, but it was initially critical for quantification of results. Analytical response (R2 0.8202) and repeatability were strongly dependent from proper manual positioning of the HPTLC plate into the electronic or vibronic excited-state gas stream of the ion source. This drawback was overcome by using stable isotope-labeled standards shown on the example of caffeine. This way, analytical response (R2 0.9892) and repeatability (RSD {\\textless} ±5.4\\%, n = 6) were improved to a high extent. Spatial resolution by an in-house-built plate holder system was shown to be better than 3 mm. The decay of the signal was observed. The efficacy of this new coupling was compared to a plunger-based extraction device for HPTLC/electrospray ionisation–MS. The latter device showed detectability down to the pg-range, e.g. the limit of quantification for isopropylthioxanthone was found to be 100 pg. Repeatability was comparable (RSD ± 6.7\\%), however, without the need of internal standard correction. Analytical response was slightly better and showed a determination coefficient R2 of 0.9983. Similar data were obtained for caffeine as well. Spatial resolution was 2 mm or 4 mm depending on the plunger head used. The comparison showed that HPTLC/DART-TOF-MS is a useful coupling method regarding qualitative aspects and it has the potential to cope also with the difficulties of quantification if isotope-labeled standards were used or if a plate holder system is employed as initially shown},\n\tnumber = {1-2},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Morlock, Gertrud and Ueda, Yoshihisa},\n\tyear = {2007},\n\tkeywords = {Planar chromatography; HPTLC/DART-TOF-MS; HPTLC/ESI-MS; DART; AccuTOF},\n\tpages = {243--251},\n}\n\n\n\n
\n
\n\n\n
\n The coupling of planar chromatography with direct analysis in real time time-of-flight mass spectrometry (DART-TOF-MS) was shown for the first time. Cutting the plate within a track led to substance zones positioned on the plate edge which were directly introduced into the DART gas stream. Mass signals were obtained instantaneously within seconds. Detectability was shown in the very low ng-range per zone on the example of isopropylthioxanthone. The coupling was perfectly suited for identification and qualitative purposes, but it was initially critical for quantification of results. Analytical response (R2 0.8202) and repeatability were strongly dependent from proper manual positioning of the HPTLC plate into the electronic or vibronic excited-state gas stream of the ion source. This drawback was overcome by using stable isotope-labeled standards shown on the example of caffeine. This way, analytical response (R2 0.9892) and repeatability (RSD \\textless ±5.4%, n = 6) were improved to a high extent. Spatial resolution by an in-house-built plate holder system was shown to be better than 3 mm. The decay of the signal was observed. The efficacy of this new coupling was compared to a plunger-based extraction device for HPTLC/electrospray ionisation–MS. The latter device showed detectability down to the pg-range, e.g. the limit of quantification for isopropylthioxanthone was found to be 100 pg. Repeatability was comparable (RSD ± 6.7%), however, without the need of internal standard correction. Analytical response was slightly better and showed a determination coefficient R2 of 0.9983. Similar data were obtained for caffeine as well. Spatial resolution was 2 mm or 4 mm depending on the plunger head used. The comparison showed that HPTLC/DART-TOF-MS is a useful coupling method regarding qualitative aspects and it has the potential to cope also with the difficulties of quantification if isotope-labeled standards were used or if a plate holder system is employed as initially shown\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time for Reaction Monitoring in Drug Discovery.\n \n \n \n\n\n \n Petucci, C.; Diffendal, J.; Kaufman, D.; Mekonnen, B.; Terefenko, G.; and Musselman, B.\n\n\n \n\n\n\n Analytical Chemistry, 79(13): 5064–5070. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{petucci_direct_2007,\n\ttitle = {Direct {Analysis} in {Real} {Time} for {Reaction} {Monitoring} in {Drug} {Discovery}},\n\tvolume = {79},\n\tissn = {0003-2700},\n\tabstract = {Direct analysis in real time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. In this study, several commercially available drugs as well as actual compounds from drug discovery research were examined by LC/UV/ESI-MS and DART interfaced to a quadrupole mass spectrometer. For most compounds, the molecular ions observed by ESI-MS were observed by DART/MS. DART/MS was also studied as a means to quickly monitor synthetic organic reactions and to obtain nearly instantaneous molecular weight confirmations of final products in drug discovery. For simple, synthetic organic transformations, the trends in the intensities of the mass spectral signals for the reactant and product obtained by DART/MS scaled closely with those of the diode array or the total ion chromatogram obtained by LC/UV/ESI-MS. In summary, DART is a new tool that complements electrospray ionization for the rapid ionization and subsequent mass spectral analysis of compounds in drug discovery.},\n\tnumber = {13},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Petucci, C. and Diffendal, J. and Kaufman, D. and Mekonnen, B. and Terefenko, G. and Musselman, B.},\n\tyear = {2007},\n\tkeywords = {Waters Quad},\n\tpages = {5064--5070},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. In this study, several commercially available drugs as well as actual compounds from drug discovery research were examined by LC/UV/ESI-MS and DART interfaced to a quadrupole mass spectrometer. For most compounds, the molecular ions observed by ESI-MS were observed by DART/MS. DART/MS was also studied as a means to quickly monitor synthetic organic reactions and to obtain nearly instantaneous molecular weight confirmations of final products in drug discovery. For simple, synthetic organic transformations, the trends in the intensities of the mass spectral signals for the reactant and product obtained by DART/MS scaled closely with those of the diode array or the total ion chromatogram obtained by LC/UV/ESI-MS. In summary, DART is a new tool that complements electrospray ionization for the rapid ionization and subsequent mass spectral analysis of compounds in drug discovery.\n
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\n \n\n \n \n \n \n \n Chemi-ionization and Direct Analysis in Real Time (DARTTM) Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; and Cody, R. B.\n\n\n \n\n\n\n In Gross, M. L.; and Caprioli, R. M., editor(s), The Encyclopedia of Mass Spectrometry Volume 6: Ionization Methods, pages 377–387. Elsevier, Amsterdam, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@incollection{laramee_chemi-ionization_2007,\n\taddress = {Amsterdam},\n\ttitle = {Chemi-ionization and {Direct} {Analysis} in {Real} {Time} ({DARTTM}) {Mass} {Spectrometry}},\n\tisbn = {0-08-043801-6},\n\tbooktitle = {The {Encyclopedia} of {Mass} {Spectrometry} {Volume} 6: {Ionization} {Methods}},\n\tpublisher = {Elsevier},\n\tauthor = {Laramée, J. A. and Cody, R. B.},\n\teditor = {Gross, Michael L. and Caprioli, Richard M.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {377--387},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n AccuTOF-DART Mass Spectrometry.\n \n \n \n\n\n \n Steiner, R.\n\n\n \n\n\n\n Technical Report Virginia Department of Forensic Science Controlled Substances Procedures Manual, Section 31, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@techreport{steiner_accutof-dart_2007,\n\ttitle = {{AccuTOF}-{DART} {Mass} {Spectrometry}},\n\tinstitution = {Virginia Department of Forensic Science Controlled Substances Procedures Manual, Section 31},\n\tauthor = {Steiner, R.R.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Guide to Direct Analysis in Real Time (DART) Ionization Source.\n \n \n \n\n\n \n Konuma, K.\n\n\n \n\n\n\n Farumarushi, 43(9): 903–905. 2007.\n \n\n\n\n
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@article{konuma_guide_2007,\n\ttitle = {Guide to {Direct} {Analysis} in {Real} {Time} ({DART}) {Ionization} {Source}},\n\tvolume = {43},\n\tabstract = {AccuTOF},\n\tnumber = {9},\n\tjournal = {Farumarushi},\n\tauthor = {Konuma, K.},\n\tyear = {2007},\n\tpages = {903--905},\n}\n\n\n\n
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\n AccuTOF\n
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\n \n\n \n \n \n \n \n Ambient generation of fatty acid methyl ester ions from bacterial whole cells by direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Pierce, C. Y.; Barr, J. R.; Cody, R. B.; Massung, R. F.; Woolfitt, A. R.; Moura, H.; Thompson, H. A.; and Fernandez, F. M.\n\n\n \n\n\n\n Chemical Communications, (8): 807 – 809. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{pierce_ambient_2007,\n\ttitle = {Ambient generation of fatty acid methyl ester ions from bacterial whole cells by direct analysis in real time ({DART}) mass spectrometry},\n\tdoi = {10.1039/b613200f},\n\tabstract = {Direct analysis in real time (DART) is implemented on a time-of-flight (TOF) mass spectrometer, and used for the generation of fatty acid methyl esters (FAMEs) ions from whole bacterial cells.},\n\tnumber = {8},\n\tjournal = {Chemical Communications},\n\tauthor = {Pierce, Carrie Y. and Barr, John R. and Cody, Robert B. and Massung, Robert F. and Woolfitt, Adrian R. and Moura, Hercules and Thompson, Herbert A. and Fernandez, Facundo M.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {807 -- 809},\n}\n\n\n\n\n\n\n\n
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\n Direct analysis in real time (DART) is implemented on a time-of-flight (TOF) mass spectrometer, and used for the generation of fatty acid methyl esters (FAMEs) ions from whole bacterial cells.\n
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\n \n\n \n \n \n \n \n \n Rapid and Unambiguous Identification of Melamine in Contaminated Pet Food Based on Mass Spectrometry with Four Degrees of Confirmation.\n \n \n \n \n\n\n \n Vail, T.; Jones, P. R.; and Sparkman, O. D. D.\n\n\n \n\n\n\n Journal of Analytical Toxicology, 31(6): 304–312. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{vail_rapid_2007,\n\ttitle = {Rapid and {Unambiguous} {Identification} of {Melamine} in {Contaminated} {Pet} {Food} {Based} on {Mass} {Spectrometry} with {Four} {Degrees} of {Confirmation}},\n\tvolume = {31},\n\turl = {http://www.ingentaconnect.com/content/pres/jat/2007/00000031/00000006/art00002},\n\tabstract = {A method for analyzing pet food without sample processing is described for rapid identification of melamine based on mass spectrometry (MS) using soft ionization by direct analysis in real time (DART) to provide accurate measurement of mass and isotope-peak intensities, in-source collisionally activated dissociation (CAD) fragmentation, and determination of active hydrogens. Usually, MS analyses based on other than electron ionization (EI) spectra can be suspect because of the limited amount of information provided by a single mass spectral peak (or very few peaks). In such cases, additional degrees of confirmation are desirable to increase confidence in the experimental results. Chromatographic retention time can provide a degree of confidence; however, this requires time and, in some cases, detailed sample processing. Currently, the United States Food and Drug Administration uses a gas chromatography\\&ndash:EI-MS technique for the determination of melamine in pet food that involves sample extraction and derivatization prior to a lengthy chromatographic separation. In the method described here, identification is also confirmed through a determination of the number of active hydrogen atoms in the analyte molecule achieved by hydrogen/deuterium (H/D) exchange by treatment with deuterium oxide (D2O) at the initial stage of analysis. Cross-correlation of these four experimental data provides an unambiguous identification of melamine in contaminated pet food without the need for any sample preparation or chromatography. Limits of detection and the validity of the H/D exchange method as a confirmatory technique are also presented.},\n\tnumber = {6},\n\tjournal = {Journal of Analytical Toxicology},\n\tauthor = {Vail, Teresa and Jones, Patrick R. and Sparkman, O. David D.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {304--312},\n}\n\n\n\n
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\n A method for analyzing pet food without sample processing is described for rapid identification of melamine based on mass spectrometry (MS) using soft ionization by direct analysis in real time (DART) to provide accurate measurement of mass and isotope-peak intensities, in-source collisionally activated dissociation (CAD) fragmentation, and determination of active hydrogens. Usually, MS analyses based on other than electron ionization (EI) spectra can be suspect because of the limited amount of information provided by a single mass spectral peak (or very few peaks). In such cases, additional degrees of confirmation are desirable to increase confidence in the experimental results. Chromatographic retention time can provide a degree of confidence; however, this requires time and, in some cases, detailed sample processing. Currently, the United States Food and Drug Administration uses a gas chromatography&ndash:EI-MS technique for the determination of melamine in pet food that involves sample extraction and derivatization prior to a lengthy chromatographic separation. In the method described here, identification is also confirmed through a determination of the number of active hydrogen atoms in the analyte molecule achieved by hydrogen/deuterium (H/D) exchange by treatment with deuterium oxide (D2O) at the initial stage of analysis. Cross-correlation of these four experimental data provides an unambiguous identification of melamine in contaminated pet food without the need for any sample preparation or chromatography. Limits of detection and the validity of the H/D exchange method as a confirmatory technique are also presented.\n
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\n \n\n \n \n \n \n \n Direct analysis for fragrance ingredients using DART-TOFMS.\n \n \n \n\n\n \n Saitoh, K.\n\n\n \n\n\n\n Aroma Research, 8(4): 366–369. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{saitoh_direct_2007,\n\ttitle = {Direct analysis for fragrance ingredients using {DART}-{TOFMS}},\n\tvolume = {8},\n\tnumber = {4},\n\tjournal = {Aroma Research},\n\tauthor = {Saitoh, K.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {366--369},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Comparison of the Novel Direct Analysis in Real Time Time-of-Flight Mass Spectrometry (AccuTOF-DART™) and Signature Analysis for the Identification of Constituents of Refined Illicit Cocaine.\n \n \n \n\n\n \n Ropero-Miller, J. D. S.; Bynum, N. D; and Casale., J. F.\n\n\n \n\n\n\n Microgram Journal, 5(1-4): 5. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{ropero-miller_comparison_2007,\n\ttitle = {Comparison of the {Novel} {Direct} {Analysis} in {Real} {Time} {Time}-of-{Flight} {Mass} {Spectrometry} ({AccuTOF}-{DART}™) and {Signature} {Analysis} for the {Identification} of {Constituents} of {Refined} {Illicit} {Cocaine}},\n\tvolume = {5},\n\tabstract = {The characterization of 25 illicit cocaine samples by a novel application of direct analysis in real time (DART) sample introduction coupled with time-of-flight mass spectrometry (TOF-MS) and cocaine signature analyses is provided. The AccuTOF-DART™ analysis of the cocaine samples resulted in the detection of most analytes, although some compounds were not detected. This new technique is easy, rapid, requires very little sample, and can be used to screen even complex mixtures. Potential applications, including use for signature analyses of controlled substances, are discussed.},\n\tnumber = {1-4},\n\tjournal = {Microgram Journal},\n\tauthor = {Ropero-Miller, Jeri D. Stout and Bynum, Nichole D and Casale., John F.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {5},\n}\n\n\n\n
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\n The characterization of 25 illicit cocaine samples by a novel application of direct analysis in real time (DART) sample introduction coupled with time-of-flight mass spectrometry (TOF-MS) and cocaine signature analyses is provided. The AccuTOF-DART™ analysis of the cocaine samples resulted in the detection of most analytes, although some compounds were not detected. This new technique is easy, rapid, requires very little sample, and can be used to screen even complex mixtures. Potential applications, including use for signature analyses of controlled substances, are discussed.\n
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\n \n\n \n \n \n \n \n \n Characterization and differentiation of high energy amine peroxides by direct analysis in real time TOF/MS.\n \n \n \n \n\n\n \n Peña-Quevedo, A. J.; Cody, R.; Mina-Camilde, N.; Ramos, M.; and Hernández-Rivera, S. P.\n\n\n \n\n\n\n Proc. SPIE, 6538: 653828–653828. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{pena-quevedo_characterization_2007,\n\ttitle = {Characterization and differentiation of high energy amine peroxides by direct analysis in real time {TOF}/{MS}},\n\tvolume = {6538},\n\turl = {http://dx.doi.org/10.1117/12.720577},\n\tdoi = {10.1117/12.720577},\n\tabstract = {Characterization of hexamethelene triperoxide diamine (HMTD), tetramethylene diperoxide dicarbamide (TMDD) and tetramethylene diperoxide acetamide (TMDA) has been carried out using Direct Analysis in Real Time/Time of Flight Mass Spectrometry (DART-TOF/MS). The study also centered in the detection of their precursors such as hexamine and formaldehyde. Analysis of the compounds by GC-MS was also conducted. HMTD shows a clear peak at 209 m/z that allowed its detection in standard solutions and lab made standards. TATP samples with deuterium enrichment are being analyzed to compare results that could differentiate from HMTD and similar substances. All samples were characterized by Raman and FT-IR to confirm the DART results. Some of the vibrations observed were in the ν(O-O), ν(N-C), ν(N-H), ν(C-O), δ(CH3-C) and δ(C-O). Development methodology for trace detection was compared with GC/MS and HPLC-MS results previously presented for HMTD and TATP.},\n\tjournal = {Proc. SPIE},\n\tauthor = {Peña-Quevedo, Alvaro J. and Cody, Robert and Mina-Camilde, Nairmen and Ramos, Mildred and Hernández-Rivera, Samuel P.},\n\tyear = {2007},\n\tpages = {653828--653828},\n}\n\n\n\n
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\n Characterization of hexamethelene triperoxide diamine (HMTD), tetramethylene diperoxide dicarbamide (TMDD) and tetramethylene diperoxide acetamide (TMDA) has been carried out using Direct Analysis in Real Time/Time of Flight Mass Spectrometry (DART-TOF/MS). The study also centered in the detection of their precursors such as hexamine and formaldehyde. Analysis of the compounds by GC-MS was also conducted. HMTD shows a clear peak at 209 m/z that allowed its detection in standard solutions and lab made standards. TATP samples with deuterium enrichment are being analyzed to compare results that could differentiate from HMTD and similar substances. All samples were characterized by Raman and FT-IR to confirm the DART results. Some of the vibrations observed were in the ν(O-O), ν(N-C), ν(N-H), ν(C-O), δ(CH3-C) and δ(C-O). Development methodology for trace detection was compared with GC/MS and HPLC-MS results previously presented for HMTD and TATP.\n
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\n \n\n \n \n \n \n \n Analysis of Self-Assembled Monolayers on Gold Surfaces Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Kpegba, K.; Spadaro, T.; Cody, R. B.; Nesnas, N.; and Olson, J. A.\n\n\n \n\n\n\n Analytical Chemistry, 79(14): 5479–5483. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kpegba_analysis_2007,\n\ttitle = {Analysis of {Self}-{Assembled} {Monolayers} on {Gold} {Surfaces} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {79},\n\tissn = {0003-2700},\n\tabstract = {Abstract: Mass spectrometry was performed on self-assembled monolayers (SAMs) of dodecanethiol on gold using the new direct analysis in real time (DART) ionization technique. Observed peaks for the SAMs included monomers, dimers, and trimers of the SAM molecules, with the dimer and trimer relative peak heights enhanced as compared to the spectra for neat dodecanethiol. The possibility that the observed peaks were due to residual (noncovalently bonded) material on the surface was tested by attempting to observe residual dodecanol. No peaks corresponding to dodecanol were observed. These results indicate that DART is an excellent ionization method for the direct and unambiguous mass analysis of chemical species in self-assembled monolayers.},\n\tnumber = {14},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Kpegba, K. and Spadaro, T. and Cody, R. B. and Nesnas, N. and Olson, J. A.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {5479--5483},\n}\n\n\n\n
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\n Abstract: Mass spectrometry was performed on self-assembled monolayers (SAMs) of dodecanethiol on gold using the new direct analysis in real time (DART) ionization technique. Observed peaks for the SAMs included monomers, dimers, and trimers of the SAM molecules, with the dimer and trimer relative peak heights enhanced as compared to the spectra for neat dodecanethiol. The possibility that the observed peaks were due to residual (noncovalently bonded) material on the surface was tested by attempting to observe residual dodecanol. No peaks corresponding to dodecanol were observed. These results indicate that DART is an excellent ionization method for the direct and unambiguous mass analysis of chemical species in self-assembled monolayers.\n
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\n \n\n \n \n \n \n \n \n Direct mass spectrometric analysis of flavors and fragrances in real applications using DART.\n \n \n \n \n\n\n \n Haefliger, O. P.; and Jeckelmann, N.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 21(8): 1361–1366. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{haefliger_direct_2007,\n\ttitle = {Direct mass spectrometric analysis of flavors and fragrances in real applications using {DART}},\n\tvolume = {21},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.2969},\n\tdoi = {10.1002/rcm.2969},\n\tabstract = {DART (Direct Analysis in Real Time) is an innovative technology to analyze complex solid samples at atmospheric pressure and ground potential by simply placing them between a DART ion source and a mass spectrometer. The analytes are ionized by a gun of neutral metastable species. The first examples of the application of DART to the analysis of flavor and fragrance raw materials in real, complex applications are reported here. A remarkably high potential of the technique is demonstrated. DART was applied to semi-quantitative analyses of perfumery raw materials deposited on smelling strips. In optimal cases, limits of detection around 100 pg were achieved. DART also allowed the assessment of the deposition and release of fragrance on surfaces such as fabric and hair. Finally, DART permitted the screening of twelve chewing gum samples for the possible presence of taste-refreshing compounds in less than 30 min. Copyright © 2007 John Wiley \\& Sons, Ltd.},\n\tnumber = {8},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Haefliger, Olivier P. and Jeckelmann, Nicolas},\n\tyear = {2007},\n\tkeywords = {Thermo TSQ},\n\tpages = {1361--1366},\n}\n\n\n\n
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\n DART (Direct Analysis in Real Time) is an innovative technology to analyze complex solid samples at atmospheric pressure and ground potential by simply placing them between a DART ion source and a mass spectrometer. The analytes are ionized by a gun of neutral metastable species. The first examples of the application of DART to the analysis of flavor and fragrance raw materials in real, complex applications are reported here. A remarkably high potential of the technique is demonstrated. DART was applied to semi-quantitative analyses of perfumery raw materials deposited on smelling strips. In optimal cases, limits of detection around 100 pg were achieved. DART also allowed the assessment of the deposition and release of fragrance on surfaces such as fabric and hair. Finally, DART permitted the screening of twelve chewing gum samples for the possible presence of taste-refreshing compounds in less than 30 min. Copyright © 2007 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Forensic Application of DART (Direct Analysis in Real Time) Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; Cody, R. B.; Nilles, J. M.; and Durst, H. D.\n\n\n \n\n\n\n In Blackledge, R. D., editor(s), Forensic Analysis on the Cutting Edge: New Methods for Trace Evidence Analysis. Wiley-Interscience, Hoboken, NJ, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@incollection{laramee_forensic_2007,\n\taddress = {Hoboken, NJ},\n\ttitle = {Forensic {Application} of {DART} ({Direct} {Analysis} in {Real} {Time}) {Mass} {Spectrometry}},\n\tisbn = {978-0-471-71644-0},\n\tabstract = {Summary\n\nThis chapter contains sections titled:\n    Introduction\n    Experimental\n    Drug and Pharmaceutical Analysis\n    Samples from the Human Body\n    Condom Lubricants\n    Dyes\n    Explosives\n    Arson Accelerants\n    Chemical Warfare Agents\n    Elevated-Temperature DART for Material Identification\n    Glues\n    Plastics\n    Fibers\n    Identification of Inks\n    Conclusion\n    Acknowledgments\n    References},\n\tbooktitle = {Forensic {Analysis} on the {Cutting} {Edge}: {New} {Methods} for {Trace} {Evidence} {Analysis}},\n\tpublisher = {Wiley-Interscience},\n\tauthor = {Laramée, J. A. and Cody, R. B. and Nilles, J. M. and Durst, H. D.},\n\teditor = {Blackledge, Robert D.},\n\tyear = {2007},\n\tkeywords = {DART; forensic; trace; evidence; AccuTOF},\n}\n\n\n\n
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\n Summary This chapter contains sections titled: Introduction Experimental Drug and Pharmaceutical Analysis Samples from the Human Body Condom Lubricants Dyes Explosives Arson Accelerants Chemical Warfare Agents Elevated-Temperature DART for Material Identification Glues Plastics Fibers Identification of Inks Conclusion Acknowledgments References\n
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\n \n\n \n \n \n \n \n Coupling Planar Chromatography with Time-of-Flight Mass Spectrometry Using an Open-Air Ion Source.\n \n \n \n\n\n \n Morlock, G.; and Ueda, Y.\n\n\n \n\n\n\n LCGC: The Peak,7–13. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{morlock_coupling_2007,\n\ttitle = {Coupling {Planar} {Chromatography} with {Time}-of-{Flight} {Mass} {Spectrometry} {Using} an {Open}-{Air} {Ion} {Source}},\n\tjournal = {LCGC: The Peak},\n\tauthor = {Morlock, G. and Ueda, Y.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {7--13},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n Fundamental and application of the direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Kusai, A.\n\n\n \n\n\n\n Bunseki, 3: 124–127. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kusai_fundamental_2007,\n\ttitle = {Fundamental and application of the direct analysis in real time mass spectrometry},\n\tvolume = {3},\n\tjournal = {Bunseki},\n\tauthor = {Kusai, A.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {124--127},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n New coupling of planar chromatography with direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Morlock, G.; and Ueda, Y.\n\n\n \n\n\n\n Journal of Chromatography A, 1143(1-2): 243–251. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{morlock_new_2007,\n\ttitle = {New coupling of planar chromatography with direct analysis in real time mass spectrometry},\n\tvolume = {1143},\n\tabstract = {The coupling of planar chromatography with direct analysis in real time time-of-flight mass spectrometry (DART-TOF-MS) was shown for the first time. Cutting the plate within a track led to substance zones positioned on the plate edge which were directly introduced into the DART gas stream. Mass signals were obtained instantaneously within seconds. Detectability was shown in the very low ng-range per zone on the example of isopropylthioxanthone. The coupling was perfectly suited for identification and qualitative purposes, but it was initially critical for quantification of results. Analytical response (R2 0.8202) and repeatability were strongly dependent from proper manual positioning of the HPTLC plate into the electronic or vibronic excited-state gas stream of the ion source. This drawback was overcome by using stable isotope-labeled standards shown on the example of caffeine. This way, analytical response (R2 0.9892) and repeatability (RSD {\\textless} ±5.4\\%, n = 6) were improved to a high extent. Spatial resolution by an in-house-built plate holder system was shown to be better than 3 mm. The decay of the signal was observed. The efficacy of this new coupling was compared to a plunger-based extraction device for HPTLC/electrospray ionisation–MS. The latter device showed detectability down to the pg-range, e.g. the limit of quantification for isopropylthioxanthone was found to be 100 pg. Repeatability was comparable (RSD ± 6.7\\%), however, without the need of internal standard correction. Analytical response was slightly better and showed a determination coefficient R2 of 0.9983. Similar data were obtained for caffeine as well. Spatial resolution was 2 mm or 4 mm depending on the plunger head used. The comparison showed that HPTLC/DART-TOF-MS is a useful coupling method regarding qualitative aspects and it has the potential to cope also with the difficulties of quantification if isotope-labeled standards were used or if a plate holder system is employed as initially shown},\n\tnumber = {1-2},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Morlock, Gertrud and Ueda, Yoshihisa},\n\tyear = {2007},\n\tkeywords = {Planar chromatography; HPTLC/DART-TOF-MS; HPTLC/ESI-MS; DART; AccuTOF},\n\tpages = {243--251},\n}\n\n\n\n
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\n The coupling of planar chromatography with direct analysis in real time time-of-flight mass spectrometry (DART-TOF-MS) was shown for the first time. Cutting the plate within a track led to substance zones positioned on the plate edge which were directly introduced into the DART gas stream. Mass signals were obtained instantaneously within seconds. Detectability was shown in the very low ng-range per zone on the example of isopropylthioxanthone. The coupling was perfectly suited for identification and qualitative purposes, but it was initially critical for quantification of results. Analytical response (R2 0.8202) and repeatability were strongly dependent from proper manual positioning of the HPTLC plate into the electronic or vibronic excited-state gas stream of the ion source. This drawback was overcome by using stable isotope-labeled standards shown on the example of caffeine. This way, analytical response (R2 0.9892) and repeatability (RSD \\textless ±5.4%, n = 6) were improved to a high extent. Spatial resolution by an in-house-built plate holder system was shown to be better than 3 mm. The decay of the signal was observed. The efficacy of this new coupling was compared to a plunger-based extraction device for HPTLC/electrospray ionisation–MS. The latter device showed detectability down to the pg-range, e.g. the limit of quantification for isopropylthioxanthone was found to be 100 pg. Repeatability was comparable (RSD ± 6.7%), however, without the need of internal standard correction. Analytical response was slightly better and showed a determination coefficient R2 of 0.9983. Similar data were obtained for caffeine as well. Spatial resolution was 2 mm or 4 mm depending on the plunger head used. The comparison showed that HPTLC/DART-TOF-MS is a useful coupling method regarding qualitative aspects and it has the potential to cope also with the difficulties of quantification if isotope-labeled standards were used or if a plate holder system is employed as initially shown\n
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\n \n\n \n \n \n \n \n Chemi-ionization and Direct Analysis in Real Time (DARTTM) Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; and Cody, R. B.\n\n\n \n\n\n\n In Gross, M. L.; and Caprioli, R. M., editor(s), The Encyclopedia of Mass Spectrometry Volume 6: Ionization Methods, pages 377–387. Elsevier, Amsterdam, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@incollection{laramee_chemi-ionization_2007,\n\taddress = {Amsterdam},\n\ttitle = {Chemi-ionization and {Direct} {Analysis} in {Real} {Time} ({DARTTM}) {Mass} {Spectrometry}},\n\tisbn = {0-08-043801-6},\n\tbooktitle = {The {Encyclopedia} of {Mass} {Spectrometry} {Volume} 6: {Ionization} {Methods}},\n\tpublisher = {Elsevier},\n\tauthor = {Laramée, J. A. and Cody, R. B.},\n\teditor = {Gross, Michael L. and Caprioli, Richard M.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {377--387},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time for Reaction Monitoring in Drug Discovery.\n \n \n \n\n\n \n Petucci, C.; Diffendal, J.; Kaufman, D.; Mekonnen, B.; Terefenko, G.; and Musselman, B.\n\n\n \n\n\n\n Analytical Chemistry, 79(13): 5064–5070. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{petucci_direct_2007,\n\ttitle = {Direct {Analysis} in {Real} {Time} for {Reaction} {Monitoring} in {Drug} {Discovery}},\n\tvolume = {79},\n\tissn = {0003-2700},\n\tabstract = {Direct analysis in real time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. In this study, several commercially available drugs as well as actual compounds from drug discovery research were examined by LC/UV/ESI-MS and DART interfaced to a quadrupole mass spectrometer. For most compounds, the molecular ions observed by ESI-MS were observed by DART/MS. DART/MS was also studied as a means to quickly monitor synthetic organic reactions and to obtain nearly instantaneous molecular weight confirmations of final products in drug discovery. For simple, synthetic organic transformations, the trends in the intensities of the mass spectral signals for the reactant and product obtained by DART/MS scaled closely with those of the diode array or the total ion chromatogram obtained by LC/UV/ESI-MS. In summary, DART is a new tool that complements electrospray ionization for the rapid ionization and subsequent mass spectral analysis of compounds in drug discovery.},\n\tnumber = {13},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Petucci, C. and Diffendal, J. and Kaufman, D. and Mekonnen, B. and Terefenko, G. and Musselman, B.},\n\tyear = {2007},\n\tkeywords = {Waters Quad},\n\tpages = {5064--5070},\n}\n\n\n\n
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\n Direct analysis in real time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. In this study, several commercially available drugs as well as actual compounds from drug discovery research were examined by LC/UV/ESI-MS and DART interfaced to a quadrupole mass spectrometer. For most compounds, the molecular ions observed by ESI-MS were observed by DART/MS. DART/MS was also studied as a means to quickly monitor synthetic organic reactions and to obtain nearly instantaneous molecular weight confirmations of final products in drug discovery. For simple, synthetic organic transformations, the trends in the intensities of the mass spectral signals for the reactant and product obtained by DART/MS scaled closely with those of the diode array or the total ion chromatogram obtained by LC/UV/ESI-MS. In summary, DART is a new tool that complements electrospray ionization for the rapid ionization and subsequent mass spectral analysis of compounds in drug discovery.\n
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\n \n\n \n \n \n \n \n Guide to Direct Analysis in Real Time (DART) Ionization Source.\n \n \n \n\n\n \n Konuma, K.\n\n\n \n\n\n\n Farumarushi, 43(9): 903–905. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{konuma_guide_2007,\n\ttitle = {Guide to {Direct} {Analysis} in {Real} {Time} ({DART}) {Ionization} {Source}},\n\tvolume = {43},\n\tabstract = {AccuTOF},\n\tnumber = {9},\n\tjournal = {Farumarushi},\n\tauthor = {Konuma, K.},\n\tyear = {2007},\n\tpages = {903--905},\n}\n\n\n\n
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\n AccuTOF\n
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\n \n\n \n \n \n \n \n AccuTOF-DART Mass Spectrometry.\n \n \n \n\n\n \n Steiner, R.\n\n\n \n\n\n\n Technical Report Virginia Department of Forensic Science Controlled Substances Procedures Manual, Section 31, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@techreport{steiner_accutof-dart_2007,\n\ttitle = {{AccuTOF}-{DART} {Mass} {Spectrometry}},\n\tinstitution = {Virginia Department of Forensic Science Controlled Substances Procedures Manual, Section 31},\n\tauthor = {Steiner, R.R.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Ambient generation of fatty acid methyl ester ions from bacterial whole cells by direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Pierce, C. Y.; Barr, J. R.; Cody, R. B.; Massung, R. F.; Woolfitt, A. R.; Moura, H.; Thompson, H. A.; and Fernandez, F. M.\n\n\n \n\n\n\n Chemical Communications, (8): 807 – 809. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{pierce_ambient_2007,\n\ttitle = {Ambient generation of fatty acid methyl ester ions from bacterial whole cells by direct analysis in real time ({DART}) mass spectrometry},\n\tdoi = {10.1039/b613200f},\n\tabstract = {Direct analysis in real time (DART) is implemented on a time-of-flight (TOF) mass spectrometer, and used for the generation of fatty acid methyl esters (FAMEs) ions from whole bacterial cells.},\n\tnumber = {8},\n\tjournal = {Chemical Communications},\n\tauthor = {Pierce, Carrie Y. and Barr, John R. and Cody, Robert B. and Massung, Robert F. and Woolfitt, Adrian R. and Moura, Hercules and Thompson, Herbert A. and Fernandez, Facundo M.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {807 -- 809},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is implemented on a time-of-flight (TOF) mass spectrometer, and used for the generation of fatty acid methyl esters (FAMEs) ions from whole bacterial cells.\n
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\n \n\n \n \n \n \n \n \n Rapid and Unambiguous Identification of Melamine in Contaminated Pet Food Based on Mass Spectrometry with Four Degrees of Confirmation.\n \n \n \n \n\n\n \n Vail, T.; Jones, P. R.; and Sparkman, O. D. D.\n\n\n \n\n\n\n Journal of Analytical Toxicology, 31(6): 304–312. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vail_rapid_2007,\n\ttitle = {Rapid and {Unambiguous} {Identification} of {Melamine} in {Contaminated} {Pet} {Food} {Based} on {Mass} {Spectrometry} with {Four} {Degrees} of {Confirmation}},\n\tvolume = {31},\n\turl = {http://www.ingentaconnect.com/content/pres/jat/2007/00000031/00000006/art00002},\n\tabstract = {A method for analyzing pet food without sample processing is described for rapid identification of melamine based on mass spectrometry (MS) using soft ionization by direct analysis in real time (DART) to provide accurate measurement of mass and isotope-peak intensities, in-source collisionally activated dissociation (CAD) fragmentation, and determination of active hydrogens. Usually, MS analyses based on other than electron ionization (EI) spectra can be suspect because of the limited amount of information provided by a single mass spectral peak (or very few peaks). In such cases, additional degrees of confirmation are desirable to increase confidence in the experimental results. Chromatographic retention time can provide a degree of confidence; however, this requires time and, in some cases, detailed sample processing. Currently, the United States Food and Drug Administration uses a gas chromatography\\&ndash:EI-MS technique for the determination of melamine in pet food that involves sample extraction and derivatization prior to a lengthy chromatographic separation. In the method described here, identification is also confirmed through a determination of the number of active hydrogen atoms in the analyte molecule achieved by hydrogen/deuterium (H/D) exchange by treatment with deuterium oxide (D2O) at the initial stage of analysis. Cross-correlation of these four experimental data provides an unambiguous identification of melamine in contaminated pet food without the need for any sample preparation or chromatography. Limits of detection and the validity of the H/D exchange method as a confirmatory technique are also presented.},\n\tnumber = {6},\n\tjournal = {Journal of Analytical Toxicology},\n\tauthor = {Vail, Teresa and Jones, Patrick R. and Sparkman, O. David D.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {304--312},\n}\n\n\n\n
\n
\n\n\n
\n A method for analyzing pet food without sample processing is described for rapid identification of melamine based on mass spectrometry (MS) using soft ionization by direct analysis in real time (DART) to provide accurate measurement of mass and isotope-peak intensities, in-source collisionally activated dissociation (CAD) fragmentation, and determination of active hydrogens. Usually, MS analyses based on other than electron ionization (EI) spectra can be suspect because of the limited amount of information provided by a single mass spectral peak (or very few peaks). In such cases, additional degrees of confirmation are desirable to increase confidence in the experimental results. Chromatographic retention time can provide a degree of confidence; however, this requires time and, in some cases, detailed sample processing. Currently, the United States Food and Drug Administration uses a gas chromatography&ndash:EI-MS technique for the determination of melamine in pet food that involves sample extraction and derivatization prior to a lengthy chromatographic separation. In the method described here, identification is also confirmed through a determination of the number of active hydrogen atoms in the analyte molecule achieved by hydrogen/deuterium (H/D) exchange by treatment with deuterium oxide (D2O) at the initial stage of analysis. Cross-correlation of these four experimental data provides an unambiguous identification of melamine in contaminated pet food without the need for any sample preparation or chromatography. Limits of detection and the validity of the H/D exchange method as a confirmatory technique are also presented.\n
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\n \n\n \n \n \n \n \n Comparison of the Novel Direct Analysis in Real Time Time-of-Flight Mass Spectrometry (AccuTOF-DART™) and Signature Analysis for the Identification of Constituents of Refined Illicit Cocaine.\n \n \n \n\n\n \n Ropero-Miller, J. D. S.; Bynum, N. D; and Casale., J. F.\n\n\n \n\n\n\n Microgram Journal, 5(1-4): 5. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{ropero-miller_comparison_2007,\n\ttitle = {Comparison of the {Novel} {Direct} {Analysis} in {Real} {Time} {Time}-of-{Flight} {Mass} {Spectrometry} ({AccuTOF}-{DART}™) and {Signature} {Analysis} for the {Identification} of {Constituents} of {Refined} {Illicit} {Cocaine}},\n\tvolume = {5},\n\tabstract = {The characterization of 25 illicit cocaine samples by a novel application of direct analysis in real time (DART) sample introduction coupled with time-of-flight mass spectrometry (TOF-MS) and cocaine signature analyses is provided. The AccuTOF-DART™ analysis of the cocaine samples resulted in the detection of most analytes, although some compounds were not detected. This new technique is easy, rapid, requires very little sample, and can be used to screen even complex mixtures. Potential applications, including use for signature analyses of controlled substances, are discussed.},\n\tnumber = {1-4},\n\tjournal = {Microgram Journal},\n\tauthor = {Ropero-Miller, Jeri D. Stout and Bynum, Nichole D and Casale., John F.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {5},\n}\n\n\n\n
\n
\n\n\n
\n The characterization of 25 illicit cocaine samples by a novel application of direct analysis in real time (DART) sample introduction coupled with time-of-flight mass spectrometry (TOF-MS) and cocaine signature analyses is provided. The AccuTOF-DART™ analysis of the cocaine samples resulted in the detection of most analytes, although some compounds were not detected. This new technique is easy, rapid, requires very little sample, and can be used to screen even complex mixtures. Potential applications, including use for signature analyses of controlled substances, are discussed.\n
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\n \n\n \n \n \n \n \n Direct analysis for fragrance ingredients using DART-TOFMS.\n \n \n \n\n\n \n Saitoh, K.\n\n\n \n\n\n\n Aroma Research, 8(4): 366–369. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{saitoh_direct_2007,\n\ttitle = {Direct analysis for fragrance ingredients using {DART}-{TOFMS}},\n\tvolume = {8},\n\tnumber = {4},\n\tjournal = {Aroma Research},\n\tauthor = {Saitoh, K.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {366--369},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Characterization and differentiation of high energy amine peroxides by direct analysis in real time TOF/MS.\n \n \n \n \n\n\n \n Peña-Quevedo, A. J.; Cody, R.; Mina-Camilde, N.; Ramos, M.; and Hernández-Rivera, S. P.\n\n\n \n\n\n\n Proc. SPIE, 6538: 653828–653828. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{pena-quevedo_characterization_2007,\n\ttitle = {Characterization and differentiation of high energy amine peroxides by direct analysis in real time {TOF}/{MS}},\n\tvolume = {6538},\n\turl = {http://dx.doi.org/10.1117/12.720577},\n\tdoi = {10.1117/12.720577},\n\tabstract = {Characterization of hexamethelene triperoxide diamine (HMTD), tetramethylene diperoxide dicarbamide (TMDD) and tetramethylene diperoxide acetamide (TMDA) has been carried out using Direct Analysis in Real Time/Time of Flight Mass Spectrometry (DART-TOF/MS). The study also centered in the detection of their precursors such as hexamine and formaldehyde. Analysis of the compounds by GC-MS was also conducted. HMTD shows a clear peak at 209 m/z that allowed its detection in standard solutions and lab made standards. TATP samples with deuterium enrichment are being analyzed to compare results that could differentiate from HMTD and similar substances. All samples were characterized by Raman and FT-IR to confirm the DART results. Some of the vibrations observed were in the ν(O-O), ν(N-C), ν(N-H), ν(C-O), δ(CH3-C) and δ(C-O). Development methodology for trace detection was compared with GC/MS and HPLC-MS results previously presented for HMTD and TATP.},\n\tjournal = {Proc. SPIE},\n\tauthor = {Peña-Quevedo, Alvaro J. and Cody, Robert and Mina-Camilde, Nairmen and Ramos, Mildred and Hernández-Rivera, Samuel P.},\n\tyear = {2007},\n\tpages = {653828--653828},\n}\n\n\n\n
\n
\n\n\n
\n Characterization of hexamethelene triperoxide diamine (HMTD), tetramethylene diperoxide dicarbamide (TMDD) and tetramethylene diperoxide acetamide (TMDA) has been carried out using Direct Analysis in Real Time/Time of Flight Mass Spectrometry (DART-TOF/MS). The study also centered in the detection of their precursors such as hexamine and formaldehyde. Analysis of the compounds by GC-MS was also conducted. HMTD shows a clear peak at 209 m/z that allowed its detection in standard solutions and lab made standards. TATP samples with deuterium enrichment are being analyzed to compare results that could differentiate from HMTD and similar substances. All samples were characterized by Raman and FT-IR to confirm the DART results. Some of the vibrations observed were in the ν(O-O), ν(N-C), ν(N-H), ν(C-O), δ(CH3-C) and δ(C-O). Development methodology for trace detection was compared with GC/MS and HPLC-MS results previously presented for HMTD and TATP.\n
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\n \n\n \n \n \n \n \n Analysis of Self-Assembled Monolayers on Gold Surfaces Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Kpegba, K.; Spadaro, T.; Cody, R. B.; Nesnas, N.; and Olson, J. A.\n\n\n \n\n\n\n Analytical Chemistry, 79(14): 5479–5483. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kpegba_analysis_2007,\n\ttitle = {Analysis of {Self}-{Assembled} {Monolayers} on {Gold} {Surfaces} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {79},\n\tissn = {0003-2700},\n\tabstract = {Abstract: Mass spectrometry was performed on self-assembled monolayers (SAMs) of dodecanethiol on gold using the new direct analysis in real time (DART) ionization technique. Observed peaks for the SAMs included monomers, dimers, and trimers of the SAM molecules, with the dimer and trimer relative peak heights enhanced as compared to the spectra for neat dodecanethiol. The possibility that the observed peaks were due to residual (noncovalently bonded) material on the surface was tested by attempting to observe residual dodecanol. No peaks corresponding to dodecanol were observed. These results indicate that DART is an excellent ionization method for the direct and unambiguous mass analysis of chemical species in self-assembled monolayers.},\n\tnumber = {14},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Kpegba, K. and Spadaro, T. and Cody, R. B. and Nesnas, N. and Olson, J. A.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {5479--5483},\n}\n\n\n\n
\n
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\n Abstract: Mass spectrometry was performed on self-assembled monolayers (SAMs) of dodecanethiol on gold using the new direct analysis in real time (DART) ionization technique. Observed peaks for the SAMs included monomers, dimers, and trimers of the SAM molecules, with the dimer and trimer relative peak heights enhanced as compared to the spectra for neat dodecanethiol. The possibility that the observed peaks were due to residual (noncovalently bonded) material on the surface was tested by attempting to observe residual dodecanol. No peaks corresponding to dodecanol were observed. These results indicate that DART is an excellent ionization method for the direct and unambiguous mass analysis of chemical species in self-assembled monolayers.\n
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\n \n\n \n \n \n \n \n \n Direct mass spectrometric analysis of flavors and fragrances in real applications using DART.\n \n \n \n \n\n\n \n Haefliger, O. P.; and Jeckelmann, N.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 21(8): 1361–1366. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{haefliger_direct_2007,\n\ttitle = {Direct mass spectrometric analysis of flavors and fragrances in real applications using {DART}},\n\tvolume = {21},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.2969},\n\tdoi = {10.1002/rcm.2969},\n\tabstract = {DART (Direct Analysis in Real Time) is an innovative technology to analyze complex solid samples at atmospheric pressure and ground potential by simply placing them between a DART ion source and a mass spectrometer. The analytes are ionized by a gun of neutral metastable species. The first examples of the application of DART to the analysis of flavor and fragrance raw materials in real, complex applications are reported here. A remarkably high potential of the technique is demonstrated. DART was applied to semi-quantitative analyses of perfumery raw materials deposited on smelling strips. In optimal cases, limits of detection around 100 pg were achieved. DART also allowed the assessment of the deposition and release of fragrance on surfaces such as fabric and hair. Finally, DART permitted the screening of twelve chewing gum samples for the possible presence of taste-refreshing compounds in less than 30 min. Copyright © 2007 John Wiley \\& Sons, Ltd.},\n\tnumber = {8},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Haefliger, Olivier P. and Jeckelmann, Nicolas},\n\tyear = {2007},\n\tkeywords = {Thermo TSQ},\n\tpages = {1361--1366},\n}\n\n\n\n
\n
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\n DART (Direct Analysis in Real Time) is an innovative technology to analyze complex solid samples at atmospheric pressure and ground potential by simply placing them between a DART ion source and a mass spectrometer. The analytes are ionized by a gun of neutral metastable species. The first examples of the application of DART to the analysis of flavor and fragrance raw materials in real, complex applications are reported here. A remarkably high potential of the technique is demonstrated. DART was applied to semi-quantitative analyses of perfumery raw materials deposited on smelling strips. In optimal cases, limits of detection around 100 pg were achieved. DART also allowed the assessment of the deposition and release of fragrance on surfaces such as fabric and hair. Finally, DART permitted the screening of twelve chewing gum samples for the possible presence of taste-refreshing compounds in less than 30 min. Copyright © 2007 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Coupling Planar Chromatography with Time-of-Flight Mass Spectrometry Using an Open-Air Ion Source.\n \n \n \n\n\n \n Morlock, G.; and Ueda, Y.\n\n\n \n\n\n\n LCGC: The Peak,7–13. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{morlock_coupling_2007,\n\ttitle = {Coupling {Planar} {Chromatography} with {Time}-of-{Flight} {Mass} {Spectrometry} {Using} an {Open}-{Air} {Ion} {Source}},\n\tjournal = {LCGC: The Peak},\n\tauthor = {Morlock, G. and Ueda, Y.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {7--13},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Forensic Application of DART (Direct Analysis in Real Time) Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; Cody, R. B.; Nilles, J. M.; and Durst, H. D.\n\n\n \n\n\n\n In Blackledge, R. D., editor(s), Forensic Analysis on the Cutting Edge: New Methods for Trace Evidence Analysis. Wiley-Interscience, Hoboken, NJ, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@incollection{laramee_forensic_2007,\n\taddress = {Hoboken, NJ},\n\ttitle = {Forensic {Application} of {DART} ({Direct} {Analysis} in {Real} {Time}) {Mass} {Spectrometry}},\n\tisbn = {978-0-471-71644-0},\n\tabstract = {Summary\n\nThis chapter contains sections titled:\n    Introduction\n    Experimental\n    Drug and Pharmaceutical Analysis\n    Samples from the Human Body\n    Condom Lubricants\n    Dyes\n    Explosives\n    Arson Accelerants\n    Chemical Warfare Agents\n    Elevated-Temperature DART for Material Identification\n    Glues\n    Plastics\n    Fibers\n    Identification of Inks\n    Conclusion\n    Acknowledgments\n    References},\n\tbooktitle = {Forensic {Analysis} on the {Cutting} {Edge}: {New} {Methods} for {Trace} {Evidence} {Analysis}},\n\tpublisher = {Wiley-Interscience},\n\tauthor = {Laramée, J. A. and Cody, R. B. and Nilles, J. M. and Durst, H. D.},\n\teditor = {Blackledge, Robert D.},\n\tyear = {2007},\n\tkeywords = {DART; forensic; trace; evidence; AccuTOF},\n}\n\n\n\n
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\n Summary This chapter contains sections titled: Introduction Experimental Drug and Pharmaceutical Analysis Samples from the Human Body Condom Lubricants Dyes Explosives Arson Accelerants Chemical Warfare Agents Elevated-Temperature DART for Material Identification Glues Plastics Fibers Identification of Inks Conclusion Acknowledgments References\n
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\n \n\n \n \n \n \n \n Fundamental and application of the direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Kusai, A.\n\n\n \n\n\n\n Bunseki, 3: 124–127. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kusai_fundamental_2007,\n\ttitle = {Fundamental and application of the direct analysis in real time mass spectrometry},\n\tvolume = {3},\n\tjournal = {Bunseki},\n\tauthor = {Kusai, A.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {124--127},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n New coupling of planar chromatography with direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Morlock, G.; and Ueda, Y.\n\n\n \n\n\n\n Journal of Chromatography A, 1143(1-2): 243–251. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{morlock_new_2007,\n\ttitle = {New coupling of planar chromatography with direct analysis in real time mass spectrometry},\n\tvolume = {1143},\n\tabstract = {The coupling of planar chromatography with direct analysis in real time time-of-flight mass spectrometry (DART-TOF-MS) was shown for the first time. Cutting the plate within a track led to substance zones positioned on the plate edge which were directly introduced into the DART gas stream. Mass signals were obtained instantaneously within seconds. Detectability was shown in the very low ng-range per zone on the example of isopropylthioxanthone. The coupling was perfectly suited for identification and qualitative purposes, but it was initially critical for quantification of results. Analytical response (R2 0.8202) and repeatability were strongly dependent from proper manual positioning of the HPTLC plate into the electronic or vibronic excited-state gas stream of the ion source. This drawback was overcome by using stable isotope-labeled standards shown on the example of caffeine. This way, analytical response (R2 0.9892) and repeatability (RSD {\\textless} ±5.4\\%, n = 6) were improved to a high extent. Spatial resolution by an in-house-built plate holder system was shown to be better than 3 mm. The decay of the signal was observed. The efficacy of this new coupling was compared to a plunger-based extraction device for HPTLC/electrospray ionisation–MS. The latter device showed detectability down to the pg-range, e.g. the limit of quantification for isopropylthioxanthone was found to be 100 pg. Repeatability was comparable (RSD ± 6.7\\%), however, without the need of internal standard correction. Analytical response was slightly better and showed a determination coefficient R2 of 0.9983. Similar data were obtained for caffeine as well. Spatial resolution was 2 mm or 4 mm depending on the plunger head used. The comparison showed that HPTLC/DART-TOF-MS is a useful coupling method regarding qualitative aspects and it has the potential to cope also with the difficulties of quantification if isotope-labeled standards were used or if a plate holder system is employed as initially shown},\n\tnumber = {1-2},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Morlock, Gertrud and Ueda, Yoshihisa},\n\tyear = {2007},\n\tkeywords = {Planar chromatography; HPTLC/DART-TOF-MS; HPTLC/ESI-MS; DART; AccuTOF},\n\tpages = {243--251},\n}\n\n\n\n
\n
\n\n\n
\n The coupling of planar chromatography with direct analysis in real time time-of-flight mass spectrometry (DART-TOF-MS) was shown for the first time. Cutting the plate within a track led to substance zones positioned on the plate edge which were directly introduced into the DART gas stream. Mass signals were obtained instantaneously within seconds. Detectability was shown in the very low ng-range per zone on the example of isopropylthioxanthone. The coupling was perfectly suited for identification and qualitative purposes, but it was initially critical for quantification of results. Analytical response (R2 0.8202) and repeatability were strongly dependent from proper manual positioning of the HPTLC plate into the electronic or vibronic excited-state gas stream of the ion source. This drawback was overcome by using stable isotope-labeled standards shown on the example of caffeine. This way, analytical response (R2 0.9892) and repeatability (RSD \\textless ±5.4%, n = 6) were improved to a high extent. Spatial resolution by an in-house-built plate holder system was shown to be better than 3 mm. The decay of the signal was observed. The efficacy of this new coupling was compared to a plunger-based extraction device for HPTLC/electrospray ionisation–MS. The latter device showed detectability down to the pg-range, e.g. the limit of quantification for isopropylthioxanthone was found to be 100 pg. Repeatability was comparable (RSD ± 6.7%), however, without the need of internal standard correction. Analytical response was slightly better and showed a determination coefficient R2 of 0.9983. Similar data were obtained for caffeine as well. Spatial resolution was 2 mm or 4 mm depending on the plunger head used. The comparison showed that HPTLC/DART-TOF-MS is a useful coupling method regarding qualitative aspects and it has the potential to cope also with the difficulties of quantification if isotope-labeled standards were used or if a plate holder system is employed as initially shown\n
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\n \n\n \n \n \n \n \n Chemi-ionization and Direct Analysis in Real Time (DARTTM) Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; and Cody, R. B.\n\n\n \n\n\n\n In Gross, M. L.; and Caprioli, R. M., editor(s), The Encyclopedia of Mass Spectrometry Volume 6: Ionization Methods, pages 377–387. Elsevier, Amsterdam, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@incollection{laramee_chemi-ionization_2007,\n\taddress = {Amsterdam},\n\ttitle = {Chemi-ionization and {Direct} {Analysis} in {Real} {Time} ({DARTTM}) {Mass} {Spectrometry}},\n\tisbn = {0-08-043801-6},\n\tbooktitle = {The {Encyclopedia} of {Mass} {Spectrometry} {Volume} 6: {Ionization} {Methods}},\n\tpublisher = {Elsevier},\n\tauthor = {Laramée, J. A. and Cody, R. B.},\n\teditor = {Gross, Michael L. and Caprioli, Richard M.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {377--387},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time for Reaction Monitoring in Drug Discovery.\n \n \n \n\n\n \n Petucci, C.; Diffendal, J.; Kaufman, D.; Mekonnen, B.; Terefenko, G.; and Musselman, B.\n\n\n \n\n\n\n Analytical Chemistry, 79(13): 5064–5070. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{petucci_direct_2007,\n\ttitle = {Direct {Analysis} in {Real} {Time} for {Reaction} {Monitoring} in {Drug} {Discovery}},\n\tvolume = {79},\n\tissn = {0003-2700},\n\tabstract = {Direct analysis in real time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. In this study, several commercially available drugs as well as actual compounds from drug discovery research were examined by LC/UV/ESI-MS and DART interfaced to a quadrupole mass spectrometer. For most compounds, the molecular ions observed by ESI-MS were observed by DART/MS. DART/MS was also studied as a means to quickly monitor synthetic organic reactions and to obtain nearly instantaneous molecular weight confirmations of final products in drug discovery. For simple, synthetic organic transformations, the trends in the intensities of the mass spectral signals for the reactant and product obtained by DART/MS scaled closely with those of the diode array or the total ion chromatogram obtained by LC/UV/ESI-MS. In summary, DART is a new tool that complements electrospray ionization for the rapid ionization and subsequent mass spectral analysis of compounds in drug discovery.},\n\tnumber = {13},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Petucci, C. and Diffendal, J. and Kaufman, D. and Mekonnen, B. and Terefenko, G. and Musselman, B.},\n\tyear = {2007},\n\tkeywords = {Waters Quad},\n\tpages = {5064--5070},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. In this study, several commercially available drugs as well as actual compounds from drug discovery research were examined by LC/UV/ESI-MS and DART interfaced to a quadrupole mass spectrometer. For most compounds, the molecular ions observed by ESI-MS were observed by DART/MS. DART/MS was also studied as a means to quickly monitor synthetic organic reactions and to obtain nearly instantaneous molecular weight confirmations of final products in drug discovery. For simple, synthetic organic transformations, the trends in the intensities of the mass spectral signals for the reactant and product obtained by DART/MS scaled closely with those of the diode array or the total ion chromatogram obtained by LC/UV/ESI-MS. In summary, DART is a new tool that complements electrospray ionization for the rapid ionization and subsequent mass spectral analysis of compounds in drug discovery.\n
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\n \n\n \n \n \n \n \n Guide to Direct Analysis in Real Time (DART) Ionization Source.\n \n \n \n\n\n \n Konuma, K.\n\n\n \n\n\n\n Farumarushi, 43(9): 903–905. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{konuma_guide_2007,\n\ttitle = {Guide to {Direct} {Analysis} in {Real} {Time} ({DART}) {Ionization} {Source}},\n\tvolume = {43},\n\tabstract = {AccuTOF},\n\tnumber = {9},\n\tjournal = {Farumarushi},\n\tauthor = {Konuma, K.},\n\tyear = {2007},\n\tpages = {903--905},\n}\n\n\n\n
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\n AccuTOF\n
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\n \n\n \n \n \n \n \n AccuTOF-DART Mass Spectrometry.\n \n \n \n\n\n \n Steiner, R.\n\n\n \n\n\n\n Technical Report Virginia Department of Forensic Science Controlled Substances Procedures Manual, Section 31, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@techreport{steiner_accutof-dart_2007,\n\ttitle = {{AccuTOF}-{DART} {Mass} {Spectrometry}},\n\tinstitution = {Virginia Department of Forensic Science Controlled Substances Procedures Manual, Section 31},\n\tauthor = {Steiner, R.R.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Ambient generation of fatty acid methyl ester ions from bacterial whole cells by direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Pierce, C. Y.; Barr, J. R.; Cody, R. B.; Massung, R. F.; Woolfitt, A. R.; Moura, H.; Thompson, H. A.; and Fernandez, F. M.\n\n\n \n\n\n\n Chemical Communications, (8): 807 – 809. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{pierce_ambient_2007,\n\ttitle = {Ambient generation of fatty acid methyl ester ions from bacterial whole cells by direct analysis in real time ({DART}) mass spectrometry},\n\tdoi = {10.1039/b613200f},\n\tabstract = {Direct analysis in real time (DART) is implemented on a time-of-flight (TOF) mass spectrometer, and used for the generation of fatty acid methyl esters (FAMEs) ions from whole bacterial cells.},\n\tnumber = {8},\n\tjournal = {Chemical Communications},\n\tauthor = {Pierce, Carrie Y. and Barr, John R. and Cody, Robert B. and Massung, Robert F. and Woolfitt, Adrian R. and Moura, Hercules and Thompson, Herbert A. and Fernandez, Facundo M.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {807 -- 809},\n}\n\n\n\n
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\n Direct analysis in real time (DART) is implemented on a time-of-flight (TOF) mass spectrometer, and used for the generation of fatty acid methyl esters (FAMEs) ions from whole bacterial cells.\n
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\n \n\n \n \n \n \n \n \n Rapid and Unambiguous Identification of Melamine in Contaminated Pet Food Based on Mass Spectrometry with Four Degrees of Confirmation.\n \n \n \n \n\n\n \n Vail, T.; Jones, P. R.; and Sparkman, O. D. D.\n\n\n \n\n\n\n Journal of Analytical Toxicology, 31(6): 304–312. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vail_rapid_2007,\n\ttitle = {Rapid and {Unambiguous} {Identification} of {Melamine} in {Contaminated} {Pet} {Food} {Based} on {Mass} {Spectrometry} with {Four} {Degrees} of {Confirmation}},\n\tvolume = {31},\n\turl = {http://www.ingentaconnect.com/content/pres/jat/2007/00000031/00000006/art00002},\n\tabstract = {A method for analyzing pet food without sample processing is described for rapid identification of melamine based on mass spectrometry (MS) using soft ionization by direct analysis in real time (DART) to provide accurate measurement of mass and isotope-peak intensities, in-source collisionally activated dissociation (CAD) fragmentation, and determination of active hydrogens. Usually, MS analyses based on other than electron ionization (EI) spectra can be suspect because of the limited amount of information provided by a single mass spectral peak (or very few peaks). In such cases, additional degrees of confirmation are desirable to increase confidence in the experimental results. Chromatographic retention time can provide a degree of confidence; however, this requires time and, in some cases, detailed sample processing. Currently, the United States Food and Drug Administration uses a gas chromatography\\&ndash:EI-MS technique for the determination of melamine in pet food that involves sample extraction and derivatization prior to a lengthy chromatographic separation. In the method described here, identification is also confirmed through a determination of the number of active hydrogen atoms in the analyte molecule achieved by hydrogen/deuterium (H/D) exchange by treatment with deuterium oxide (D2O) at the initial stage of analysis. Cross-correlation of these four experimental data provides an unambiguous identification of melamine in contaminated pet food without the need for any sample preparation or chromatography. Limits of detection and the validity of the H/D exchange method as a confirmatory technique are also presented.},\n\tnumber = {6},\n\tjournal = {Journal of Analytical Toxicology},\n\tauthor = {Vail, Teresa and Jones, Patrick R. and Sparkman, O. David D.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {304--312},\n}\n\n\n\n
\n
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\n A method for analyzing pet food without sample processing is described for rapid identification of melamine based on mass spectrometry (MS) using soft ionization by direct analysis in real time (DART) to provide accurate measurement of mass and isotope-peak intensities, in-source collisionally activated dissociation (CAD) fragmentation, and determination of active hydrogens. Usually, MS analyses based on other than electron ionization (EI) spectra can be suspect because of the limited amount of information provided by a single mass spectral peak (or very few peaks). In such cases, additional degrees of confirmation are desirable to increase confidence in the experimental results. Chromatographic retention time can provide a degree of confidence; however, this requires time and, in some cases, detailed sample processing. Currently, the United States Food and Drug Administration uses a gas chromatography&ndash:EI-MS technique for the determination of melamine in pet food that involves sample extraction and derivatization prior to a lengthy chromatographic separation. In the method described here, identification is also confirmed through a determination of the number of active hydrogen atoms in the analyte molecule achieved by hydrogen/deuterium (H/D) exchange by treatment with deuterium oxide (D2O) at the initial stage of analysis. Cross-correlation of these four experimental data provides an unambiguous identification of melamine in contaminated pet food without the need for any sample preparation or chromatography. Limits of detection and the validity of the H/D exchange method as a confirmatory technique are also presented.\n
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\n \n\n \n \n \n \n \n \n Characterization and differentiation of high energy amine peroxides by direct analysis in real time TOF/MS.\n \n \n \n \n\n\n \n Peña-Quevedo, A. J.; Cody, R.; Mina-Camilde, N.; Ramos, M.; and Hernández-Rivera, S. P.\n\n\n \n\n\n\n Proc. SPIE, 6538: 653828–653828. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{pena-quevedo_characterization_2007,\n\ttitle = {Characterization and differentiation of high energy amine peroxides by direct analysis in real time {TOF}/{MS}},\n\tvolume = {6538},\n\turl = {http://dx.doi.org/10.1117/12.720577},\n\tdoi = {10.1117/12.720577},\n\tabstract = {Characterization of hexamethelene triperoxide diamine (HMTD), tetramethylene diperoxide dicarbamide (TMDD) and tetramethylene diperoxide acetamide (TMDA) has been carried out using Direct Analysis in Real Time/Time of Flight Mass Spectrometry (DART-TOF/MS). The study also centered in the detection of their precursors such as hexamine and formaldehyde. Analysis of the compounds by GC-MS was also conducted. HMTD shows a clear peak at 209 m/z that allowed its detection in standard solutions and lab made standards. TATP samples with deuterium enrichment are being analyzed to compare results that could differentiate from HMTD and similar substances. All samples were characterized by Raman and FT-IR to confirm the DART results. Some of the vibrations observed were in the ν(O-O), ν(N-C), ν(N-H), ν(C-O), δ(CH3-C) and δ(C-O). Development methodology for trace detection was compared with GC/MS and HPLC-MS results previously presented for HMTD and TATP.},\n\tjournal = {Proc. SPIE},\n\tauthor = {Peña-Quevedo, Alvaro J. and Cody, Robert and Mina-Camilde, Nairmen and Ramos, Mildred and Hernández-Rivera, Samuel P.},\n\tyear = {2007},\n\tpages = {653828--653828},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n Characterization of hexamethelene triperoxide diamine (HMTD), tetramethylene diperoxide dicarbamide (TMDD) and tetramethylene diperoxide acetamide (TMDA) has been carried out using Direct Analysis in Real Time/Time of Flight Mass Spectrometry (DART-TOF/MS). The study also centered in the detection of their precursors such as hexamine and formaldehyde. Analysis of the compounds by GC-MS was also conducted. HMTD shows a clear peak at 209 m/z that allowed its detection in standard solutions and lab made standards. TATP samples with deuterium enrichment are being analyzed to compare results that could differentiate from HMTD and similar substances. All samples were characterized by Raman and FT-IR to confirm the DART results. Some of the vibrations observed were in the ν(O-O), ν(N-C), ν(N-H), ν(C-O), δ(CH3-C) and δ(C-O). Development methodology for trace detection was compared with GC/MS and HPLC-MS results previously presented for HMTD and TATP.\n
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\n \n\n \n \n \n \n \n \n Direct mass spectrometric analysis of flavors and fragrances in real applications using DART.\n \n \n \n \n\n\n \n Haefliger, O. P.; and Jeckelmann, N.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 21(8): 1361–1366. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{haefliger_direct_2007,\n\ttitle = {Direct mass spectrometric analysis of flavors and fragrances in real applications using {DART}},\n\tvolume = {21},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.2969},\n\tdoi = {10.1002/rcm.2969},\n\tabstract = {DART (Direct Analysis in Real Time) is an innovative technology to analyze complex solid samples at atmospheric pressure and ground potential by simply placing them between a DART ion source and a mass spectrometer. The analytes are ionized by a gun of neutral metastable species. The first examples of the application of DART to the analysis of flavor and fragrance raw materials in real, complex applications are reported here. A remarkably high potential of the technique is demonstrated. DART was applied to semi-quantitative analyses of perfumery raw materials deposited on smelling strips. In optimal cases, limits of detection around 100 pg were achieved. DART also allowed the assessment of the deposition and release of fragrance on surfaces such as fabric and hair. Finally, DART permitted the screening of twelve chewing gum samples for the possible presence of taste-refreshing compounds in less than 30 min. Copyright © 2007 John Wiley \\& Sons, Ltd.},\n\tnumber = {8},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Haefliger, Olivier P. and Jeckelmann, Nicolas},\n\tyear = {2007},\n\tkeywords = {Thermo TSQ},\n\tpages = {1361--1366},\n}\n\n\n\n
\n
\n\n\n
\n DART (Direct Analysis in Real Time) is an innovative technology to analyze complex solid samples at atmospheric pressure and ground potential by simply placing them between a DART ion source and a mass spectrometer. The analytes are ionized by a gun of neutral metastable species. The first examples of the application of DART to the analysis of flavor and fragrance raw materials in real, complex applications are reported here. A remarkably high potential of the technique is demonstrated. DART was applied to semi-quantitative analyses of perfumery raw materials deposited on smelling strips. In optimal cases, limits of detection around 100 pg were achieved. DART also allowed the assessment of the deposition and release of fragrance on surfaces such as fabric and hair. Finally, DART permitted the screening of twelve chewing gum samples for the possible presence of taste-refreshing compounds in less than 30 min. Copyright © 2007 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Direct analysis for fragrance ingredients using DART-TOFMS.\n \n \n \n\n\n \n Saitoh, K.\n\n\n \n\n\n\n Aroma Research, 8(4): 366–369. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{saitoh_direct_2007,\n\ttitle = {Direct analysis for fragrance ingredients using {DART}-{TOFMS}},\n\tvolume = {8},\n\tnumber = {4},\n\tjournal = {Aroma Research},\n\tauthor = {Saitoh, K.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {366--369},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n AccuTOF-DART Mass Spectrometry.\n \n \n \n\n\n \n Steiner, R.\n\n\n \n\n\n\n Technical Report Virginia Department of Forensic Science Controlled Substances Procedures Manual, Section 31, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@techreport{steiner_accutof-dart_2007,\n\ttitle = {{AccuTOF}-{DART} {Mass} {Spectrometry}},\n\tinstitution = {Virginia Department of Forensic Science Controlled Substances Procedures Manual, Section 31},\n\tauthor = {Steiner, R.R.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Forensic Application of DART (Direct Analysis in Real Time) Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; Cody, R. B.; Nilles, J. M.; and Durst, H. D.\n\n\n \n\n\n\n In Blackledge, R. D., editor(s), Forensic Analysis on the Cutting Edge: New Methods for Trace Evidence Analysis. Wiley-Interscience, Hoboken, NJ, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@incollection{laramee_forensic_2007,\n\taddress = {Hoboken, NJ},\n\ttitle = {Forensic {Application} of {DART} ({Direct} {Analysis} in {Real} {Time}) {Mass} {Spectrometry}},\n\tisbn = {978-0-471-71644-0},\n\tabstract = {Summary\n\nThis chapter contains sections titled:\n    Introduction\n    Experimental\n    Drug and Pharmaceutical Analysis\n    Samples from the Human Body\n    Condom Lubricants\n    Dyes\n    Explosives\n    Arson Accelerants\n    Chemical Warfare Agents\n    Elevated-Temperature DART for Material Identification\n    Glues\n    Plastics\n    Fibers\n    Identification of Inks\n    Conclusion\n    Acknowledgments\n    References},\n\tbooktitle = {Forensic {Analysis} on the {Cutting} {Edge}: {New} {Methods} for {Trace} {Evidence} {Analysis}},\n\tpublisher = {Wiley-Interscience},\n\tauthor = {Laramée, J. A. and Cody, R. B. and Nilles, J. M. and Durst, H. D.},\n\teditor = {Blackledge, Robert D.},\n\tyear = {2007},\n\tkeywords = {DART; forensic; trace; evidence; AccuTOF},\n}\n\n\n\n
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\n Summary This chapter contains sections titled: Introduction Experimental Drug and Pharmaceutical Analysis Samples from the Human Body Condom Lubricants Dyes Explosives Arson Accelerants Chemical Warfare Agents Elevated-Temperature DART for Material Identification Glues Plastics Fibers Identification of Inks Conclusion Acknowledgments References\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time for Reaction Monitoring in Drug Discovery.\n \n \n \n\n\n \n Petucci, C.; Diffendal, J.; Kaufman, D.; Mekonnen, B.; Terefenko, G.; and Musselman, B.\n\n\n \n\n\n\n Analytical Chemistry, 79(13): 5064–5070. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{petucci_direct_2007,\n\ttitle = {Direct {Analysis} in {Real} {Time} for {Reaction} {Monitoring} in {Drug} {Discovery}},\n\tvolume = {79},\n\tissn = {0003-2700},\n\tabstract = {Direct analysis in real time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. In this study, several commercially available drugs as well as actual compounds from drug discovery research were examined by LC/UV/ESI-MS and DART interfaced to a quadrupole mass spectrometer. For most compounds, the molecular ions observed by ESI-MS were observed by DART/MS. DART/MS was also studied as a means to quickly monitor synthetic organic reactions and to obtain nearly instantaneous molecular weight confirmations of final products in drug discovery. For simple, synthetic organic transformations, the trends in the intensities of the mass spectral signals for the reactant and product obtained by DART/MS scaled closely with those of the diode array or the total ion chromatogram obtained by LC/UV/ESI-MS. In summary, DART is a new tool that complements electrospray ionization for the rapid ionization and subsequent mass spectral analysis of compounds in drug discovery.},\n\tnumber = {13},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Petucci, C. and Diffendal, J. and Kaufman, D. and Mekonnen, B. and Terefenko, G. and Musselman, B.},\n\tyear = {2007},\n\tkeywords = {Waters Quad},\n\tpages = {5064--5070},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. In this study, several commercially available drugs as well as actual compounds from drug discovery research were examined by LC/UV/ESI-MS and DART interfaced to a quadrupole mass spectrometer. For most compounds, the molecular ions observed by ESI-MS were observed by DART/MS. DART/MS was also studied as a means to quickly monitor synthetic organic reactions and to obtain nearly instantaneous molecular weight confirmations of final products in drug discovery. For simple, synthetic organic transformations, the trends in the intensities of the mass spectral signals for the reactant and product obtained by DART/MS scaled closely with those of the diode array or the total ion chromatogram obtained by LC/UV/ESI-MS. In summary, DART is a new tool that complements electrospray ionization for the rapid ionization and subsequent mass spectral analysis of compounds in drug discovery.\n
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\n \n\n \n \n \n \n \n Fundamental and application of the direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Kusai, A.\n\n\n \n\n\n\n Bunseki, 3: 124–127. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kusai_fundamental_2007,\n\ttitle = {Fundamental and application of the direct analysis in real time mass spectrometry},\n\tvolume = {3},\n\tjournal = {Bunseki},\n\tauthor = {Kusai, A.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {124--127},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Chemi-ionization and Direct Analysis in Real Time (DARTTM) Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; and Cody, R. B.\n\n\n \n\n\n\n In Gross, M. L.; and Caprioli, R. M., editor(s), The Encyclopedia of Mass Spectrometry Volume 6: Ionization Methods, pages 377–387. Elsevier, Amsterdam, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@incollection{laramee_chemi-ionization_2007,\n\taddress = {Amsterdam},\n\ttitle = {Chemi-ionization and {Direct} {Analysis} in {Real} {Time} ({DARTTM}) {Mass} {Spectrometry}},\n\tisbn = {0-08-043801-6},\n\tbooktitle = {The {Encyclopedia} of {Mass} {Spectrometry} {Volume} 6: {Ionization} {Methods}},\n\tpublisher = {Elsevier},\n\tauthor = {Laramée, J. A. and Cody, R. B.},\n\teditor = {Gross, Michael L. and Caprioli, Richard M.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {377--387},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n New coupling of planar chromatography with direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Morlock, G.; and Ueda, Y.\n\n\n \n\n\n\n Journal of Chromatography A, 1143(1-2): 243–251. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{morlock_new_2007,\n\ttitle = {New coupling of planar chromatography with direct analysis in real time mass spectrometry},\n\tvolume = {1143},\n\tabstract = {The coupling of planar chromatography with direct analysis in real time time-of-flight mass spectrometry (DART-TOF-MS) was shown for the first time. Cutting the plate within a track led to substance zones positioned on the plate edge which were directly introduced into the DART gas stream. Mass signals were obtained instantaneously within seconds. Detectability was shown in the very low ng-range per zone on the example of isopropylthioxanthone. The coupling was perfectly suited for identification and qualitative purposes, but it was initially critical for quantification of results. Analytical response (R2 0.8202) and repeatability were strongly dependent from proper manual positioning of the HPTLC plate into the electronic or vibronic excited-state gas stream of the ion source. This drawback was overcome by using stable isotope-labeled standards shown on the example of caffeine. This way, analytical response (R2 0.9892) and repeatability (RSD {\\textless} ±5.4\\%, n = 6) were improved to a high extent. Spatial resolution by an in-house-built plate holder system was shown to be better than 3 mm. The decay of the signal was observed. The efficacy of this new coupling was compared to a plunger-based extraction device for HPTLC/electrospray ionisation–MS. The latter device showed detectability down to the pg-range, e.g. the limit of quantification for isopropylthioxanthone was found to be 100 pg. Repeatability was comparable (RSD ± 6.7\\%), however, without the need of internal standard correction. Analytical response was slightly better and showed a determination coefficient R2 of 0.9983. Similar data were obtained for caffeine as well. Spatial resolution was 2 mm or 4 mm depending on the plunger head used. The comparison showed that HPTLC/DART-TOF-MS is a useful coupling method regarding qualitative aspects and it has the potential to cope also with the difficulties of quantification if isotope-labeled standards were used or if a plate holder system is employed as initially shown},\n\tnumber = {1-2},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Morlock, Gertrud and Ueda, Yoshihisa},\n\tyear = {2007},\n\tkeywords = {Planar chromatography; HPTLC/DART-TOF-MS; HPTLC/ESI-MS; DART; AccuTOF},\n\tpages = {243--251},\n}\n\n\n\n
\n
\n\n\n
\n The coupling of planar chromatography with direct analysis in real time time-of-flight mass spectrometry (DART-TOF-MS) was shown for the first time. Cutting the plate within a track led to substance zones positioned on the plate edge which were directly introduced into the DART gas stream. Mass signals were obtained instantaneously within seconds. Detectability was shown in the very low ng-range per zone on the example of isopropylthioxanthone. The coupling was perfectly suited for identification and qualitative purposes, but it was initially critical for quantification of results. Analytical response (R2 0.8202) and repeatability were strongly dependent from proper manual positioning of the HPTLC plate into the electronic or vibronic excited-state gas stream of the ion source. This drawback was overcome by using stable isotope-labeled standards shown on the example of caffeine. This way, analytical response (R2 0.9892) and repeatability (RSD \\textless ±5.4%, n = 6) were improved to a high extent. Spatial resolution by an in-house-built plate holder system was shown to be better than 3 mm. The decay of the signal was observed. The efficacy of this new coupling was compared to a plunger-based extraction device for HPTLC/electrospray ionisation–MS. The latter device showed detectability down to the pg-range, e.g. the limit of quantification for isopropylthioxanthone was found to be 100 pg. Repeatability was comparable (RSD ± 6.7%), however, without the need of internal standard correction. Analytical response was slightly better and showed a determination coefficient R2 of 0.9983. Similar data were obtained for caffeine as well. Spatial resolution was 2 mm or 4 mm depending on the plunger head used. The comparison showed that HPTLC/DART-TOF-MS is a useful coupling method regarding qualitative aspects and it has the potential to cope also with the difficulties of quantification if isotope-labeled standards were used or if a plate holder system is employed as initially shown\n
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\n \n\n \n \n \n \n \n Ambient generation of fatty acid methyl ester ions from bacterial whole cells by direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Pierce, C. Y.; Barr, J. R.; Cody, R. B.; Massung, R. F.; Woolfitt, A. R.; Moura, H.; Thompson, H. A.; and Fernandez, F. M.\n\n\n \n\n\n\n Chemical Communications, (8): 807 – 809. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{pierce_ambient_2007,\n\ttitle = {Ambient generation of fatty acid methyl ester ions from bacterial whole cells by direct analysis in real time ({DART}) mass spectrometry},\n\tdoi = {10.1039/b613200f},\n\tabstract = {Direct analysis in real time (DART) is implemented on a time-of-flight (TOF) mass spectrometer, and used for the generation of fatty acid methyl esters (FAMEs) ions from whole bacterial cells.},\n\tnumber = {8},\n\tjournal = {Chemical Communications},\n\tauthor = {Pierce, Carrie Y. and Barr, John R. and Cody, Robert B. and Massung, Robert F. and Woolfitt, Adrian R. and Moura, Hercules and Thompson, Herbert A. and Fernandez, Facundo M.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {807 -- 809},\n}\n\n\n\n
\n
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\n Direct analysis in real time (DART) is implemented on a time-of-flight (TOF) mass spectrometer, and used for the generation of fatty acid methyl esters (FAMEs) ions from whole bacterial cells.\n
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\n \n\n \n \n \n \n \n Analysis of Self-Assembled Monolayers on Gold Surfaces Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Kpegba, K.; Spadaro, T.; Cody, R. B.; Nesnas, N.; and Olson, J. A.\n\n\n \n\n\n\n Analytical Chemistry, 79(14): 5479–5483. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kpegba_analysis_2007,\n\ttitle = {Analysis of {Self}-{Assembled} {Monolayers} on {Gold} {Surfaces} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {79},\n\tissn = {0003-2700},\n\tabstract = {Abstract: Mass spectrometry was performed on self-assembled monolayers (SAMs) of dodecanethiol on gold using the new direct analysis in real time (DART) ionization technique. Observed peaks for the SAMs included monomers, dimers, and trimers of the SAM molecules, with the dimer and trimer relative peak heights enhanced as compared to the spectra for neat dodecanethiol. The possibility that the observed peaks were due to residual (noncovalently bonded) material on the surface was tested by attempting to observe residual dodecanol. No peaks corresponding to dodecanol were observed. These results indicate that DART is an excellent ionization method for the direct and unambiguous mass analysis of chemical species in self-assembled monolayers.},\n\tnumber = {14},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Kpegba, K. and Spadaro, T. and Cody, R. B. and Nesnas, N. and Olson, J. A.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {5479--5483},\n}\n\n\n\n
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\n Abstract: Mass spectrometry was performed on self-assembled monolayers (SAMs) of dodecanethiol on gold using the new direct analysis in real time (DART) ionization technique. Observed peaks for the SAMs included monomers, dimers, and trimers of the SAM molecules, with the dimer and trimer relative peak heights enhanced as compared to the spectra for neat dodecanethiol. The possibility that the observed peaks were due to residual (noncovalently bonded) material on the surface was tested by attempting to observe residual dodecanol. No peaks corresponding to dodecanol were observed. These results indicate that DART is an excellent ionization method for the direct and unambiguous mass analysis of chemical species in self-assembled monolayers.\n
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\n \n\n \n \n \n \n \n Comparison of the Novel Direct Analysis in Real Time Time-of-Flight Mass Spectrometry (AccuTOF-DART™) and Signature Analysis for the Identification of Constituents of Refined Illicit Cocaine.\n \n \n \n\n\n \n Ropero-Miller, J. D. S.; Bynum, N. D; and Casale., J. F.\n\n\n \n\n\n\n Microgram Journal, 5(1-4): 5. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{ropero-miller_comparison_2007,\n\ttitle = {Comparison of the {Novel} {Direct} {Analysis} in {Real} {Time} {Time}-of-{Flight} {Mass} {Spectrometry} ({AccuTOF}-{DART}™) and {Signature} {Analysis} for the {Identification} of {Constituents} of {Refined} {Illicit} {Cocaine}},\n\tvolume = {5},\n\tabstract = {The characterization of 25 illicit cocaine samples by a novel application of direct analysis in real time (DART) sample introduction coupled with time-of-flight mass spectrometry (TOF-MS) and cocaine signature analyses is provided. The AccuTOF-DART™ analysis of the cocaine samples resulted in the detection of most analytes, although some compounds were not detected. This new technique is easy, rapid, requires very little sample, and can be used to screen even complex mixtures. Potential applications, including use for signature analyses of controlled substances, are discussed.},\n\tnumber = {1-4},\n\tjournal = {Microgram Journal},\n\tauthor = {Ropero-Miller, Jeri D. Stout and Bynum, Nichole D and Casale., John F.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {5},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n The characterization of 25 illicit cocaine samples by a novel application of direct analysis in real time (DART) sample introduction coupled with time-of-flight mass spectrometry (TOF-MS) and cocaine signature analyses is provided. The AccuTOF-DART™ analysis of the cocaine samples resulted in the detection of most analytes, although some compounds were not detected. This new technique is easy, rapid, requires very little sample, and can be used to screen even complex mixtures. Potential applications, including use for signature analyses of controlled substances, are discussed.\n
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\n \n\n \n \n \n \n \n Guide to Direct Analysis in Real Time (DART) Ionization Source.\n \n \n \n\n\n \n Konuma, K.\n\n\n \n\n\n\n Farumarushi, 43(9): 903–905. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{konuma_guide_2007,\n\ttitle = {Guide to {Direct} {Analysis} in {Real} {Time} ({DART}) {Ionization} {Source}},\n\tvolume = {43},\n\tabstract = {AccuTOF},\n\tnumber = {9},\n\tjournal = {Farumarushi},\n\tauthor = {Konuma, K.},\n\tyear = {2007},\n\tpages = {903--905},\n}\n\n\n\n
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\n AccuTOF\n
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\n \n\n \n \n \n \n \n Coupling Planar Chromatography with Time-of-Flight Mass Spectrometry Using an Open-Air Ion Source.\n \n \n \n\n\n \n Morlock, G.; and Ueda, Y.\n\n\n \n\n\n\n LCGC: The Peak,7–13. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{morlock_coupling_2007,\n\ttitle = {Coupling {Planar} {Chromatography} with {Time}-of-{Flight} {Mass} {Spectrometry} {Using} an {Open}-{Air} {Ion} {Source}},\n\tjournal = {LCGC: The Peak},\n\tauthor = {Morlock, G. and Ueda, Y.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {7--13},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid and Unambiguous Identification of Melamine in Contaminated Pet Food Based on Mass Spectrometry with Four Degrees of Confirmation.\n \n \n \n \n\n\n \n Vail, T.; Jones, P. R.; and Sparkman, O. D. D.\n\n\n \n\n\n\n Journal of Analytical Toxicology, 31(6): 304–312. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{vail_rapid_2007,\n\ttitle = {Rapid and {Unambiguous} {Identification} of {Melamine} in {Contaminated} {Pet} {Food} {Based} on {Mass} {Spectrometry} with {Four} {Degrees} of {Confirmation}},\n\tvolume = {31},\n\turl = {http://www.ingentaconnect.com/content/pres/jat/2007/00000031/00000006/art00002},\n\tabstract = {A method for analyzing pet food without sample processing is described for rapid identification of melamine based on mass spectrometry (MS) using soft ionization by direct analysis in real time (DART) to provide accurate measurement of mass and isotope-peak intensities, in-source collisionally activated dissociation (CAD) fragmentation, and determination of active hydrogens. Usually, MS analyses based on other than electron ionization (EI) spectra can be suspect because of the limited amount of information provided by a single mass spectral peak (or very few peaks). In such cases, additional degrees of confirmation are desirable to increase confidence in the experimental results. Chromatographic retention time can provide a degree of confidence; however, this requires time and, in some cases, detailed sample processing. Currently, the United States Food and Drug Administration uses a gas chromatography\\&ndash:EI-MS technique for the determination of melamine in pet food that involves sample extraction and derivatization prior to a lengthy chromatographic separation. In the method described here, identification is also confirmed through a determination of the number of active hydrogen atoms in the analyte molecule achieved by hydrogen/deuterium (H/D) exchange by treatment with deuterium oxide (D2O) at the initial stage of analysis. Cross-correlation of these four experimental data provides an unambiguous identification of melamine in contaminated pet food without the need for any sample preparation or chromatography. Limits of detection and the validity of the H/D exchange method as a confirmatory technique are also presented.},\n\tnumber = {6},\n\tjournal = {Journal of Analytical Toxicology},\n\tauthor = {Vail, Teresa and Jones, Patrick R. and Sparkman, O. David D.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {304--312},\n}\n\n\n\n
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\n A method for analyzing pet food without sample processing is described for rapid identification of melamine based on mass spectrometry (MS) using soft ionization by direct analysis in real time (DART) to provide accurate measurement of mass and isotope-peak intensities, in-source collisionally activated dissociation (CAD) fragmentation, and determination of active hydrogens. Usually, MS analyses based on other than electron ionization (EI) spectra can be suspect because of the limited amount of information provided by a single mass spectral peak (or very few peaks). In such cases, additional degrees of confirmation are desirable to increase confidence in the experimental results. Chromatographic retention time can provide a degree of confidence; however, this requires time and, in some cases, detailed sample processing. Currently, the United States Food and Drug Administration uses a gas chromatography&ndash:EI-MS technique for the determination of melamine in pet food that involves sample extraction and derivatization prior to a lengthy chromatographic separation. In the method described here, identification is also confirmed through a determination of the number of active hydrogen atoms in the analyte molecule achieved by hydrogen/deuterium (H/D) exchange by treatment with deuterium oxide (D2O) at the initial stage of analysis. Cross-correlation of these four experimental data provides an unambiguous identification of melamine in contaminated pet food without the need for any sample preparation or chromatography. Limits of detection and the validity of the H/D exchange method as a confirmatory technique are also presented.\n
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\n \n\n \n \n \n \n \n \n Characterization and differentiation of high energy amine peroxides by direct analysis in real time TOF/MS.\n \n \n \n \n\n\n \n Peña-Quevedo, A. J.; Cody, R.; Mina-Camilde, N.; Ramos, M.; and Hernández-Rivera, S. P.\n\n\n \n\n\n\n Proc. SPIE, 6538: 653828–653828. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{pena-quevedo_characterization_2007,\n\ttitle = {Characterization and differentiation of high energy amine peroxides by direct analysis in real time {TOF}/{MS}},\n\tvolume = {6538},\n\turl = {http://dx.doi.org/10.1117/12.720577},\n\tdoi = {10.1117/12.720577},\n\tabstract = {Characterization of hexamethelene triperoxide diamine (HMTD), tetramethylene diperoxide dicarbamide (TMDD) and tetramethylene diperoxide acetamide (TMDA) has been carried out using Direct Analysis in Real Time/Time of Flight Mass Spectrometry (DART-TOF/MS). The study also centered in the detection of their precursors such as hexamine and formaldehyde. Analysis of the compounds by GC-MS was also conducted. HMTD shows a clear peak at 209 m/z that allowed its detection in standard solutions and lab made standards. TATP samples with deuterium enrichment are being analyzed to compare results that could differentiate from HMTD and similar substances. All samples were characterized by Raman and FT-IR to confirm the DART results. Some of the vibrations observed were in the ν(O-O), ν(N-C), ν(N-H), ν(C-O), δ(CH3-C) and δ(C-O). Development methodology for trace detection was compared with GC/MS and HPLC-MS results previously presented for HMTD and TATP.},\n\tjournal = {Proc. SPIE},\n\tauthor = {Peña-Quevedo, Alvaro J. and Cody, Robert and Mina-Camilde, Nairmen and Ramos, Mildred and Hernández-Rivera, Samuel P.},\n\tyear = {2007},\n\tpages = {653828--653828},\n}\n\n\n\n
\n
\n\n\n
\n Characterization of hexamethelene triperoxide diamine (HMTD), tetramethylene diperoxide dicarbamide (TMDD) and tetramethylene diperoxide acetamide (TMDA) has been carried out using Direct Analysis in Real Time/Time of Flight Mass Spectrometry (DART-TOF/MS). The study also centered in the detection of their precursors such as hexamine and formaldehyde. Analysis of the compounds by GC-MS was also conducted. HMTD shows a clear peak at 209 m/z that allowed its detection in standard solutions and lab made standards. TATP samples with deuterium enrichment are being analyzed to compare results that could differentiate from HMTD and similar substances. All samples were characterized by Raman and FT-IR to confirm the DART results. Some of the vibrations observed were in the ν(O-O), ν(N-C), ν(N-H), ν(C-O), δ(CH3-C) and δ(C-O). Development methodology for trace detection was compared with GC/MS and HPLC-MS results previously presented for HMTD and TATP.\n
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\n \n\n \n \n \n \n \n \n Direct mass spectrometric analysis of flavors and fragrances in real applications using DART.\n \n \n \n \n\n\n \n Haefliger, O. P.; and Jeckelmann, N.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 21(8): 1361–1366. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{haefliger_direct_2007,\n\ttitle = {Direct mass spectrometric analysis of flavors and fragrances in real applications using {DART}},\n\tvolume = {21},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.2969},\n\tdoi = {10.1002/rcm.2969},\n\tabstract = {DART (Direct Analysis in Real Time) is an innovative technology to analyze complex solid samples at atmospheric pressure and ground potential by simply placing them between a DART ion source and a mass spectrometer. The analytes are ionized by a gun of neutral metastable species. The first examples of the application of DART to the analysis of flavor and fragrance raw materials in real, complex applications are reported here. A remarkably high potential of the technique is demonstrated. DART was applied to semi-quantitative analyses of perfumery raw materials deposited on smelling strips. In optimal cases, limits of detection around 100 pg were achieved. DART also allowed the assessment of the deposition and release of fragrance on surfaces such as fabric and hair. Finally, DART permitted the screening of twelve chewing gum samples for the possible presence of taste-refreshing compounds in less than 30 min. Copyright © 2007 John Wiley \\& Sons, Ltd.},\n\tnumber = {8},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Haefliger, Olivier P. and Jeckelmann, Nicolas},\n\tyear = {2007},\n\tkeywords = {Thermo TSQ},\n\tpages = {1361--1366},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n DART (Direct Analysis in Real Time) is an innovative technology to analyze complex solid samples at atmospheric pressure and ground potential by simply placing them between a DART ion source and a mass spectrometer. The analytes are ionized by a gun of neutral metastable species. The first examples of the application of DART to the analysis of flavor and fragrance raw materials in real, complex applications are reported here. A remarkably high potential of the technique is demonstrated. DART was applied to semi-quantitative analyses of perfumery raw materials deposited on smelling strips. In optimal cases, limits of detection around 100 pg were achieved. DART also allowed the assessment of the deposition and release of fragrance on surfaces such as fabric and hair. Finally, DART permitted the screening of twelve chewing gum samples for the possible presence of taste-refreshing compounds in less than 30 min. Copyright © 2007 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n New coupling of planar chromatography with direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Morlock, G.; and Ueda, Y.\n\n\n \n\n\n\n Journal of Chromatography A, 1143(1-2): 243–251. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{morlock_new_2007,\n\ttitle = {New coupling of planar chromatography with direct analysis in real time mass spectrometry},\n\tvolume = {1143},\n\tabstract = {The coupling of planar chromatography with direct analysis in real time time-of-flight mass spectrometry (DART-TOF-MS) was shown for the first time. Cutting the plate within a track led to substance zones positioned on the plate edge which were directly introduced into the DART gas stream. Mass signals were obtained instantaneously within seconds. Detectability was shown in the very low ng-range per zone on the example of isopropylthioxanthone. The coupling was perfectly suited for identification and qualitative purposes, but it was initially critical for quantification of results. Analytical response (R2 0.8202) and repeatability were strongly dependent from proper manual positioning of the HPTLC plate into the electronic or vibronic excited-state gas stream of the ion source. This drawback was overcome by using stable isotope-labeled standards shown on the example of caffeine. This way, analytical response (R2 0.9892) and repeatability (RSD {\\textless} ±5.4\\%, n = 6) were improved to a high extent. Spatial resolution by an in-house-built plate holder system was shown to be better than 3 mm. The decay of the signal was observed. The efficacy of this new coupling was compared to a plunger-based extraction device for HPTLC/electrospray ionisation–MS. The latter device showed detectability down to the pg-range, e.g. the limit of quantification for isopropylthioxanthone was found to be 100 pg. Repeatability was comparable (RSD ± 6.7\\%), however, without the need of internal standard correction. Analytical response was slightly better and showed a determination coefficient R2 of 0.9983. Similar data were obtained for caffeine as well. Spatial resolution was 2 mm or 4 mm depending on the plunger head used. The comparison showed that HPTLC/DART-TOF-MS is a useful coupling method regarding qualitative aspects and it has the potential to cope also with the difficulties of quantification if isotope-labeled standards were used or if a plate holder system is employed as initially shown},\n\tnumber = {1-2},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Morlock, Gertrud and Ueda, Yoshihisa},\n\tyear = {2007},\n\tkeywords = {Planar chromatography; HPTLC/DART-TOF-MS; HPTLC/ESI-MS; DART; AccuTOF},\n\tpages = {243--251},\n}\n\n\n\n
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\n The coupling of planar chromatography with direct analysis in real time time-of-flight mass spectrometry (DART-TOF-MS) was shown for the first time. Cutting the plate within a track led to substance zones positioned on the plate edge which were directly introduced into the DART gas stream. Mass signals were obtained instantaneously within seconds. Detectability was shown in the very low ng-range per zone on the example of isopropylthioxanthone. The coupling was perfectly suited for identification and qualitative purposes, but it was initially critical for quantification of results. Analytical response (R2 0.8202) and repeatability were strongly dependent from proper manual positioning of the HPTLC plate into the electronic or vibronic excited-state gas stream of the ion source. This drawback was overcome by using stable isotope-labeled standards shown on the example of caffeine. This way, analytical response (R2 0.9892) and repeatability (RSD \\textless ±5.4%, n = 6) were improved to a high extent. Spatial resolution by an in-house-built plate holder system was shown to be better than 3 mm. The decay of the signal was observed. The efficacy of this new coupling was compared to a plunger-based extraction device for HPTLC/electrospray ionisation–MS. The latter device showed detectability down to the pg-range, e.g. the limit of quantification for isopropylthioxanthone was found to be 100 pg. Repeatability was comparable (RSD ± 6.7%), however, without the need of internal standard correction. Analytical response was slightly better and showed a determination coefficient R2 of 0.9983. Similar data were obtained for caffeine as well. Spatial resolution was 2 mm or 4 mm depending on the plunger head used. The comparison showed that HPTLC/DART-TOF-MS is a useful coupling method regarding qualitative aspects and it has the potential to cope also with the difficulties of quantification if isotope-labeled standards were used or if a plate holder system is employed as initially shown\n
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\n \n\n \n \n \n \n \n Comparison of the Novel Direct Analysis in Real Time Time-of-Flight Mass Spectrometry (AccuTOF-DART™) and Signature Analysis for the Identification of Constituents of Refined Illicit Cocaine.\n \n \n \n\n\n \n Ropero-Miller, J. D. S.; Bynum, N. D; and Casale., J. F.\n\n\n \n\n\n\n Microgram Journal, 5(1-4): 5. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{ropero-miller_comparison_2007,\n\ttitle = {Comparison of the {Novel} {Direct} {Analysis} in {Real} {Time} {Time}-of-{Flight} {Mass} {Spectrometry} ({AccuTOF}-{DART}™) and {Signature} {Analysis} for the {Identification} of {Constituents} of {Refined} {Illicit} {Cocaine}},\n\tvolume = {5},\n\tabstract = {The characterization of 25 illicit cocaine samples by a novel application of direct analysis in real time (DART) sample introduction coupled with time-of-flight mass spectrometry (TOF-MS) and cocaine signature analyses is provided. The AccuTOF-DART™ analysis of the cocaine samples resulted in the detection of most analytes, although some compounds were not detected. This new technique is easy, rapid, requires very little sample, and can be used to screen even complex mixtures. Potential applications, including use for signature analyses of controlled substances, are discussed.},\n\tnumber = {1-4},\n\tjournal = {Microgram Journal},\n\tauthor = {Ropero-Miller, Jeri D. Stout and Bynum, Nichole D and Casale., John F.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {5},\n}\n\n\n\n
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\n The characterization of 25 illicit cocaine samples by a novel application of direct analysis in real time (DART) sample introduction coupled with time-of-flight mass spectrometry (TOF-MS) and cocaine signature analyses is provided. The AccuTOF-DART™ analysis of the cocaine samples resulted in the detection of most analytes, although some compounds were not detected. This new technique is easy, rapid, requires very little sample, and can be used to screen even complex mixtures. Potential applications, including use for signature analyses of controlled substances, are discussed.\n
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\n \n\n \n \n \n \n \n Direct analysis for fragrance ingredients using DART-TOFMS.\n \n \n \n\n\n \n Saitoh, K.\n\n\n \n\n\n\n Aroma Research, 8(4): 366–369. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{saitoh_direct_2007,\n\ttitle = {Direct analysis for fragrance ingredients using {DART}-{TOFMS}},\n\tvolume = {8},\n\tnumber = {4},\n\tjournal = {Aroma Research},\n\tauthor = {Saitoh, K.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {366--369},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Ambient generation of fatty acid methyl ester ions from bacterial whole cells by direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Pierce, C. Y.; Barr, J. R.; Cody, R. B.; Massung, R. F.; Woolfitt, A. R.; Moura, H.; Thompson, H. A.; and Fernandez, F. M.\n\n\n \n\n\n\n Chemical Communications, (8): 807 – 809. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{pierce_ambient_2007,\n\ttitle = {Ambient generation of fatty acid methyl ester ions from bacterial whole cells by direct analysis in real time ({DART}) mass spectrometry},\n\tdoi = {10.1039/b613200f},\n\tabstract = {Direct analysis in real time (DART) is implemented on a time-of-flight (TOF) mass spectrometer, and used for the generation of fatty acid methyl esters (FAMEs) ions from whole bacterial cells.},\n\tnumber = {8},\n\tjournal = {Chemical Communications},\n\tauthor = {Pierce, Carrie Y. and Barr, John R. and Cody, Robert B. and Massung, Robert F. and Woolfitt, Adrian R. and Moura, Hercules and Thompson, Herbert A. and Fernandez, Facundo M.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {807 -- 809},\n}\n\n\n\n
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\n Direct analysis in real time (DART) is implemented on a time-of-flight (TOF) mass spectrometer, and used for the generation of fatty acid methyl esters (FAMEs) ions from whole bacterial cells.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time for Reaction Monitoring in Drug Discovery.\n \n \n \n\n\n \n Petucci, C.; Diffendal, J.; Kaufman, D.; Mekonnen, B.; Terefenko, G.; and Musselman, B.\n\n\n \n\n\n\n Analytical Chemistry, 79(13): 5064–5070. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{petucci_direct_2007,\n\ttitle = {Direct {Analysis} in {Real} {Time} for {Reaction} {Monitoring} in {Drug} {Discovery}},\n\tvolume = {79},\n\tissn = {0003-2700},\n\tabstract = {Direct analysis in real time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. In this study, several commercially available drugs as well as actual compounds from drug discovery research were examined by LC/UV/ESI-MS and DART interfaced to a quadrupole mass spectrometer. For most compounds, the molecular ions observed by ESI-MS were observed by DART/MS. DART/MS was also studied as a means to quickly monitor synthetic organic reactions and to obtain nearly instantaneous molecular weight confirmations of final products in drug discovery. For simple, synthetic organic transformations, the trends in the intensities of the mass spectral signals for the reactant and product obtained by DART/MS scaled closely with those of the diode array or the total ion chromatogram obtained by LC/UV/ESI-MS. In summary, DART is a new tool that complements electrospray ionization for the rapid ionization and subsequent mass spectral analysis of compounds in drug discovery.},\n\tnumber = {13},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Petucci, C. and Diffendal, J. and Kaufman, D. and Mekonnen, B. and Terefenko, G. and Musselman, B.},\n\tyear = {2007},\n\tkeywords = {Waters Quad},\n\tpages = {5064--5070},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
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\n Direct analysis in real time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. In this study, several commercially available drugs as well as actual compounds from drug discovery research were examined by LC/UV/ESI-MS and DART interfaced to a quadrupole mass spectrometer. For most compounds, the molecular ions observed by ESI-MS were observed by DART/MS. DART/MS was also studied as a means to quickly monitor synthetic organic reactions and to obtain nearly instantaneous molecular weight confirmations of final products in drug discovery. For simple, synthetic organic transformations, the trends in the intensities of the mass spectral signals for the reactant and product obtained by DART/MS scaled closely with those of the diode array or the total ion chromatogram obtained by LC/UV/ESI-MS. In summary, DART is a new tool that complements electrospray ionization for the rapid ionization and subsequent mass spectral analysis of compounds in drug discovery.\n
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\n \n\n \n \n \n \n \n Coupling Planar Chromatography with Time-of-Flight Mass Spectrometry Using an Open-Air Ion Source.\n \n \n \n\n\n \n Morlock, G.; and Ueda, Y.\n\n\n \n\n\n\n LCGC: The Peak,7–13. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{morlock_coupling_2007,\n\ttitle = {Coupling {Planar} {Chromatography} with {Time}-of-{Flight} {Mass} {Spectrometry} {Using} an {Open}-{Air} {Ion} {Source}},\n\tjournal = {LCGC: The Peak},\n\tauthor = {Morlock, G. and Ueda, Y.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {7--13},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n AccuTOF-DART Mass Spectrometry.\n \n \n \n\n\n \n Steiner, R.\n\n\n \n\n\n\n Technical Report Virginia Department of Forensic Science Controlled Substances Procedures Manual, Section 31, 2007.\n \n\n\n\n
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@techreport{steiner_accutof-dart_2007,\n\ttitle = {{AccuTOF}-{DART} {Mass} {Spectrometry}},\n\tinstitution = {Virginia Department of Forensic Science Controlled Substances Procedures Manual, Section 31},\n\tauthor = {Steiner, R.R.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n Fundamental and application of the direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Kusai, A.\n\n\n \n\n\n\n Bunseki, 3: 124–127. 2007.\n \n\n\n\n
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@article{kusai_fundamental_2007,\n\ttitle = {Fundamental and application of the direct analysis in real time mass spectrometry},\n\tvolume = {3},\n\tjournal = {Bunseki},\n\tauthor = {Kusai, A.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {124--127},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Forensic Application of DART (Direct Analysis in Real Time) Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; Cody, R. B.; Nilles, J. M.; and Durst, H. D.\n\n\n \n\n\n\n In Blackledge, R. D., editor(s), Forensic Analysis on the Cutting Edge: New Methods for Trace Evidence Analysis. Wiley-Interscience, Hoboken, NJ, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@incollection{laramee_forensic_2007,\n\taddress = {Hoboken, NJ},\n\ttitle = {Forensic {Application} of {DART} ({Direct} {Analysis} in {Real} {Time}) {Mass} {Spectrometry}},\n\tisbn = {978-0-471-71644-0},\n\tabstract = {Summary\n\nThis chapter contains sections titled:\n    Introduction\n    Experimental\n    Drug and Pharmaceutical Analysis\n    Samples from the Human Body\n    Condom Lubricants\n    Dyes\n    Explosives\n    Arson Accelerants\n    Chemical Warfare Agents\n    Elevated-Temperature DART for Material Identification\n    Glues\n    Plastics\n    Fibers\n    Identification of Inks\n    Conclusion\n    Acknowledgments\n    References},\n\tbooktitle = {Forensic {Analysis} on the {Cutting} {Edge}: {New} {Methods} for {Trace} {Evidence} {Analysis}},\n\tpublisher = {Wiley-Interscience},\n\tauthor = {Laramée, J. A. and Cody, R. B. and Nilles, J. M. and Durst, H. D.},\n\teditor = {Blackledge, Robert D.},\n\tyear = {2007},\n\tkeywords = {DART; forensic; trace; evidence; AccuTOF},\n}\n\n\n\n
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\n Summary This chapter contains sections titled: Introduction Experimental Drug and Pharmaceutical Analysis Samples from the Human Body Condom Lubricants Dyes Explosives Arson Accelerants Chemical Warfare Agents Elevated-Temperature DART for Material Identification Glues Plastics Fibers Identification of Inks Conclusion Acknowledgments References\n
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\n \n\n \n \n \n \n \n Analysis of Self-Assembled Monolayers on Gold Surfaces Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Kpegba, K.; Spadaro, T.; Cody, R. B.; Nesnas, N.; and Olson, J. A.\n\n\n \n\n\n\n Analytical Chemistry, 79(14): 5479–5483. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kpegba_analysis_2007,\n\ttitle = {Analysis of {Self}-{Assembled} {Monolayers} on {Gold} {Surfaces} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {79},\n\tissn = {0003-2700},\n\tabstract = {Abstract: Mass spectrometry was performed on self-assembled monolayers (SAMs) of dodecanethiol on gold using the new direct analysis in real time (DART) ionization technique. Observed peaks for the SAMs included monomers, dimers, and trimers of the SAM molecules, with the dimer and trimer relative peak heights enhanced as compared to the spectra for neat dodecanethiol. The possibility that the observed peaks were due to residual (noncovalently bonded) material on the surface was tested by attempting to observe residual dodecanol. No peaks corresponding to dodecanol were observed. These results indicate that DART is an excellent ionization method for the direct and unambiguous mass analysis of chemical species in self-assembled monolayers.},\n\tnumber = {14},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Kpegba, K. and Spadaro, T. and Cody, R. B. and Nesnas, N. and Olson, J. A.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {5479--5483},\n}\n\n\n\n
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\n Abstract: Mass spectrometry was performed on self-assembled monolayers (SAMs) of dodecanethiol on gold using the new direct analysis in real time (DART) ionization technique. Observed peaks for the SAMs included monomers, dimers, and trimers of the SAM molecules, with the dimer and trimer relative peak heights enhanced as compared to the spectra for neat dodecanethiol. The possibility that the observed peaks were due to residual (noncovalently bonded) material on the surface was tested by attempting to observe residual dodecanol. No peaks corresponding to dodecanol were observed. These results indicate that DART is an excellent ionization method for the direct and unambiguous mass analysis of chemical species in self-assembled monolayers.\n
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\n \n\n \n \n \n \n \n Guide to Direct Analysis in Real Time (DART) Ionization Source.\n \n \n \n\n\n \n Konuma, K.\n\n\n \n\n\n\n Farumarushi, 43(9): 903–905. 2007.\n \n\n\n\n
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@article{konuma_guide_2007,\n\ttitle = {Guide to {Direct} {Analysis} in {Real} {Time} ({DART}) {Ionization} {Source}},\n\tvolume = {43},\n\tabstract = {AccuTOF},\n\tnumber = {9},\n\tjournal = {Farumarushi},\n\tauthor = {Konuma, K.},\n\tyear = {2007},\n\tpages = {903--905},\n}\n\n\n\n
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\n AccuTOF\n
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\n \n\n \n \n \n \n \n Chemi-ionization and Direct Analysis in Real Time (DARTTM) Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; and Cody, R. B.\n\n\n \n\n\n\n In Gross, M. L.; and Caprioli, R. M., editor(s), The Encyclopedia of Mass Spectrometry Volume 6: Ionization Methods, pages 377–387. Elsevier, Amsterdam, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@incollection{laramee_chemi-ionization_2007,\n\taddress = {Amsterdam},\n\ttitle = {Chemi-ionization and {Direct} {Analysis} in {Real} {Time} ({DARTTM}) {Mass} {Spectrometry}},\n\tisbn = {0-08-043801-6},\n\tbooktitle = {The {Encyclopedia} of {Mass} {Spectrometry} {Volume} 6: {Ionization} {Methods}},\n\tpublisher = {Elsevier},\n\tauthor = {Laramée, J. A. and Cody, R. B.},\n\teditor = {Gross, Michael L. and Caprioli, Richard M.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {377--387},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid and Unambiguous Identification of Melamine in Contaminated Pet Food Based on Mass Spectrometry with Four Degrees of Confirmation.\n \n \n \n \n\n\n \n Vail, T.; Jones, P. R.; and Sparkman, O. D. D.\n\n\n \n\n\n\n Journal of Analytical Toxicology, 31(6): 304–312. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{vail_rapid_2007,\n\ttitle = {Rapid and {Unambiguous} {Identification} of {Melamine} in {Contaminated} {Pet} {Food} {Based} on {Mass} {Spectrometry} with {Four} {Degrees} of {Confirmation}},\n\tvolume = {31},\n\turl = {http://www.ingentaconnect.com/content/pres/jat/2007/00000031/00000006/art00002},\n\tabstract = {A method for analyzing pet food without sample processing is described for rapid identification of melamine based on mass spectrometry (MS) using soft ionization by direct analysis in real time (DART) to provide accurate measurement of mass and isotope-peak intensities, in-source collisionally activated dissociation (CAD) fragmentation, and determination of active hydrogens. Usually, MS analyses based on other than electron ionization (EI) spectra can be suspect because of the limited amount of information provided by a single mass spectral peak (or very few peaks). In such cases, additional degrees of confirmation are desirable to increase confidence in the experimental results. Chromatographic retention time can provide a degree of confidence; however, this requires time and, in some cases, detailed sample processing. Currently, the United States Food and Drug Administration uses a gas chromatography\\&ndash:EI-MS technique for the determination of melamine in pet food that involves sample extraction and derivatization prior to a lengthy chromatographic separation. In the method described here, identification is also confirmed through a determination of the number of active hydrogen atoms in the analyte molecule achieved by hydrogen/deuterium (H/D) exchange by treatment with deuterium oxide (D2O) at the initial stage of analysis. Cross-correlation of these four experimental data provides an unambiguous identification of melamine in contaminated pet food without the need for any sample preparation or chromatography. Limits of detection and the validity of the H/D exchange method as a confirmatory technique are also presented.},\n\tnumber = {6},\n\tjournal = {Journal of Analytical Toxicology},\n\tauthor = {Vail, Teresa and Jones, Patrick R. and Sparkman, O. David D.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {304--312},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n A method for analyzing pet food without sample processing is described for rapid identification of melamine based on mass spectrometry (MS) using soft ionization by direct analysis in real time (DART) to provide accurate measurement of mass and isotope-peak intensities, in-source collisionally activated dissociation (CAD) fragmentation, and determination of active hydrogens. Usually, MS analyses based on other than electron ionization (EI) spectra can be suspect because of the limited amount of information provided by a single mass spectral peak (or very few peaks). In such cases, additional degrees of confirmation are desirable to increase confidence in the experimental results. Chromatographic retention time can provide a degree of confidence; however, this requires time and, in some cases, detailed sample processing. Currently, the United States Food and Drug Administration uses a gas chromatography&ndash:EI-MS technique for the determination of melamine in pet food that involves sample extraction and derivatization prior to a lengthy chromatographic separation. In the method described here, identification is also confirmed through a determination of the number of active hydrogen atoms in the analyte molecule achieved by hydrogen/deuterium (H/D) exchange by treatment with deuterium oxide (D2O) at the initial stage of analysis. Cross-correlation of these four experimental data provides an unambiguous identification of melamine in contaminated pet food without the need for any sample preparation or chromatography. Limits of detection and the validity of the H/D exchange method as a confirmatory technique are also presented.\n
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\n \n\n \n \n \n \n \n \n Rapid and Unambiguous Identification of Melamine in Contaminated Pet Food Based on Mass Spectrometry with Four Degrees of Confirmation.\n \n \n \n \n\n\n \n Vail, T.; Jones, P. R.; and Sparkman, O. D. D.\n\n\n \n\n\n\n Journal of Analytical Toxicology, 31(6): 304–312. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{vail_rapid_2007,\n\ttitle = {Rapid and {Unambiguous} {Identification} of {Melamine} in {Contaminated} {Pet} {Food} {Based} on {Mass} {Spectrometry} with {Four} {Degrees} of {Confirmation}},\n\tvolume = {31},\n\turl = {http://www.ingentaconnect.com/content/pres/jat/2007/00000031/00000006/art00002},\n\tabstract = {A method for analyzing pet food without sample processing is described for rapid identification of melamine based on mass spectrometry (MS) using soft ionization by direct analysis in real time (DART) to provide accurate measurement of mass and isotope-peak intensities, in-source collisionally activated dissociation (CAD) fragmentation, and determination of active hydrogens. Usually, MS analyses based on other than electron ionization (EI) spectra can be suspect because of the limited amount of information provided by a single mass spectral peak (or very few peaks). In such cases, additional degrees of confirmation are desirable to increase confidence in the experimental results. Chromatographic retention time can provide a degree of confidence; however, this requires time and, in some cases, detailed sample processing. Currently, the United States Food and Drug Administration uses a gas chromatography\\&ndash:EI-MS technique for the determination of melamine in pet food that involves sample extraction and derivatization prior to a lengthy chromatographic separation. In the method described here, identification is also confirmed through a determination of the number of active hydrogen atoms in the analyte molecule achieved by hydrogen/deuterium (H/D) exchange by treatment with deuterium oxide (D2O) at the initial stage of analysis. Cross-correlation of these four experimental data provides an unambiguous identification of melamine in contaminated pet food without the need for any sample preparation or chromatography. Limits of detection and the validity of the H/D exchange method as a confirmatory technique are also presented.},\n\tnumber = {6},\n\tjournal = {Journal of Analytical Toxicology},\n\tauthor = {Vail, Teresa and Jones, Patrick R. and Sparkman, O. David D.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {304--312},\n}\n\n\n\n
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\n\n\n
\n A method for analyzing pet food without sample processing is described for rapid identification of melamine based on mass spectrometry (MS) using soft ionization by direct analysis in real time (DART) to provide accurate measurement of mass and isotope-peak intensities, in-source collisionally activated dissociation (CAD) fragmentation, and determination of active hydrogens. Usually, MS analyses based on other than electron ionization (EI) spectra can be suspect because of the limited amount of information provided by a single mass spectral peak (or very few peaks). In such cases, additional degrees of confirmation are desirable to increase confidence in the experimental results. Chromatographic retention time can provide a degree of confidence; however, this requires time and, in some cases, detailed sample processing. Currently, the United States Food and Drug Administration uses a gas chromatography&ndash:EI-MS technique for the determination of melamine in pet food that involves sample extraction and derivatization prior to a lengthy chromatographic separation. In the method described here, identification is also confirmed through a determination of the number of active hydrogen atoms in the analyte molecule achieved by hydrogen/deuterium (H/D) exchange by treatment with deuterium oxide (D2O) at the initial stage of analysis. Cross-correlation of these four experimental data provides an unambiguous identification of melamine in contaminated pet food without the need for any sample preparation or chromatography. Limits of detection and the validity of the H/D exchange method as a confirmatory technique are also presented.\n
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\n \n\n \n \n \n \n \n Analysis of Self-Assembled Monolayers on Gold Surfaces Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Kpegba, K.; Spadaro, T.; Cody, R. B.; Nesnas, N.; and Olson, J. A.\n\n\n \n\n\n\n Analytical Chemistry, 79(14): 5479–5483. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kpegba_analysis_2007,\n\ttitle = {Analysis of {Self}-{Assembled} {Monolayers} on {Gold} {Surfaces} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {79},\n\tissn = {0003-2700},\n\tabstract = {Abstract: Mass spectrometry was performed on self-assembled monolayers (SAMs) of dodecanethiol on gold using the new direct analysis in real time (DART) ionization technique. Observed peaks for the SAMs included monomers, dimers, and trimers of the SAM molecules, with the dimer and trimer relative peak heights enhanced as compared to the spectra for neat dodecanethiol. The possibility that the observed peaks were due to residual (noncovalently bonded) material on the surface was tested by attempting to observe residual dodecanol. No peaks corresponding to dodecanol were observed. These results indicate that DART is an excellent ionization method for the direct and unambiguous mass analysis of chemical species in self-assembled monolayers.},\n\tnumber = {14},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Kpegba, K. and Spadaro, T. and Cody, R. B. and Nesnas, N. and Olson, J. A.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {5479--5483},\n}\n\n\n\n
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\n Abstract: Mass spectrometry was performed on self-assembled monolayers (SAMs) of dodecanethiol on gold using the new direct analysis in real time (DART) ionization technique. Observed peaks for the SAMs included monomers, dimers, and trimers of the SAM molecules, with the dimer and trimer relative peak heights enhanced as compared to the spectra for neat dodecanethiol. The possibility that the observed peaks were due to residual (noncovalently bonded) material on the surface was tested by attempting to observe residual dodecanol. No peaks corresponding to dodecanol were observed. These results indicate that DART is an excellent ionization method for the direct and unambiguous mass analysis of chemical species in self-assembled monolayers.\n
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\n \n\n \n \n \n \n \n Chemi-ionization and Direct Analysis in Real Time (DARTTM) Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; and Cody, R. B.\n\n\n \n\n\n\n In Gross, M. L.; and Caprioli, R. M., editor(s), The Encyclopedia of Mass Spectrometry Volume 6: Ionization Methods, pages 377–387. Elsevier, Amsterdam, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@incollection{laramee_chemi-ionization_2007,\n\taddress = {Amsterdam},\n\ttitle = {Chemi-ionization and {Direct} {Analysis} in {Real} {Time} ({DARTTM}) {Mass} {Spectrometry}},\n\tisbn = {0-08-043801-6},\n\tbooktitle = {The {Encyclopedia} of {Mass} {Spectrometry} {Volume} 6: {Ionization} {Methods}},\n\tpublisher = {Elsevier},\n\tauthor = {Laramée, J. A. and Cody, R. B.},\n\teditor = {Gross, Michael L. and Caprioli, Richard M.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {377--387},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Coupling Planar Chromatography with Time-of-Flight Mass Spectrometry Using an Open-Air Ion Source.\n \n \n \n\n\n \n Morlock, G.; and Ueda, Y.\n\n\n \n\n\n\n LCGC: The Peak,7–13. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{morlock_coupling_2007,\n\ttitle = {Coupling {Planar} {Chromatography} with {Time}-of-{Flight} {Mass} {Spectrometry} {Using} an {Open}-{Air} {Ion} {Source}},\n\tjournal = {LCGC: The Peak},\n\tauthor = {Morlock, G. and Ueda, Y.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {7--13},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n New coupling of planar chromatography with direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Morlock, G.; and Ueda, Y.\n\n\n \n\n\n\n Journal of Chromatography A, 1143(1-2): 243–251. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{morlock_new_2007,\n\ttitle = {New coupling of planar chromatography with direct analysis in real time mass spectrometry},\n\tvolume = {1143},\n\tabstract = {The coupling of planar chromatography with direct analysis in real time time-of-flight mass spectrometry (DART-TOF-MS) was shown for the first time. Cutting the plate within a track led to substance zones positioned on the plate edge which were directly introduced into the DART gas stream. Mass signals were obtained instantaneously within seconds. Detectability was shown in the very low ng-range per zone on the example of isopropylthioxanthone. The coupling was perfectly suited for identification and qualitative purposes, but it was initially critical for quantification of results. Analytical response (R2 0.8202) and repeatability were strongly dependent from proper manual positioning of the HPTLC plate into the electronic or vibronic excited-state gas stream of the ion source. This drawback was overcome by using stable isotope-labeled standards shown on the example of caffeine. This way, analytical response (R2 0.9892) and repeatability (RSD {\\textless} ±5.4\\%, n = 6) were improved to a high extent. Spatial resolution by an in-house-built plate holder system was shown to be better than 3 mm. The decay of the signal was observed. The efficacy of this new coupling was compared to a plunger-based extraction device for HPTLC/electrospray ionisation–MS. The latter device showed detectability down to the pg-range, e.g. the limit of quantification for isopropylthioxanthone was found to be 100 pg. Repeatability was comparable (RSD ± 6.7\\%), however, without the need of internal standard correction. Analytical response was slightly better and showed a determination coefficient R2 of 0.9983. Similar data were obtained for caffeine as well. Spatial resolution was 2 mm or 4 mm depending on the plunger head used. The comparison showed that HPTLC/DART-TOF-MS is a useful coupling method regarding qualitative aspects and it has the potential to cope also with the difficulties of quantification if isotope-labeled standards were used or if a plate holder system is employed as initially shown},\n\tnumber = {1-2},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Morlock, Gertrud and Ueda, Yoshihisa},\n\tyear = {2007},\n\tkeywords = {Planar chromatography; HPTLC/DART-TOF-MS; HPTLC/ESI-MS; DART; AccuTOF},\n\tpages = {243--251},\n}\n\n\n\n
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\n The coupling of planar chromatography with direct analysis in real time time-of-flight mass spectrometry (DART-TOF-MS) was shown for the first time. Cutting the plate within a track led to substance zones positioned on the plate edge which were directly introduced into the DART gas stream. Mass signals were obtained instantaneously within seconds. Detectability was shown in the very low ng-range per zone on the example of isopropylthioxanthone. The coupling was perfectly suited for identification and qualitative purposes, but it was initially critical for quantification of results. Analytical response (R2 0.8202) and repeatability were strongly dependent from proper manual positioning of the HPTLC plate into the electronic or vibronic excited-state gas stream of the ion source. This drawback was overcome by using stable isotope-labeled standards shown on the example of caffeine. This way, analytical response (R2 0.9892) and repeatability (RSD \\textless ±5.4%, n = 6) were improved to a high extent. Spatial resolution by an in-house-built plate holder system was shown to be better than 3 mm. The decay of the signal was observed. The efficacy of this new coupling was compared to a plunger-based extraction device for HPTLC/electrospray ionisation–MS. The latter device showed detectability down to the pg-range, e.g. the limit of quantification for isopropylthioxanthone was found to be 100 pg. Repeatability was comparable (RSD ± 6.7%), however, without the need of internal standard correction. Analytical response was slightly better and showed a determination coefficient R2 of 0.9983. Similar data were obtained for caffeine as well. Spatial resolution was 2 mm or 4 mm depending on the plunger head used. The comparison showed that HPTLC/DART-TOF-MS is a useful coupling method regarding qualitative aspects and it has the potential to cope also with the difficulties of quantification if isotope-labeled standards were used or if a plate holder system is employed as initially shown\n
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\n \n\n \n \n \n \n \n Forensic Application of DART (Direct Analysis in Real Time) Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; Cody, R. B.; Nilles, J. M.; and Durst, H. D.\n\n\n \n\n\n\n In Blackledge, R. D., editor(s), Forensic Analysis on the Cutting Edge: New Methods for Trace Evidence Analysis. Wiley-Interscience, Hoboken, NJ, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@incollection{laramee_forensic_2007,\n\taddress = {Hoboken, NJ},\n\ttitle = {Forensic {Application} of {DART} ({Direct} {Analysis} in {Real} {Time}) {Mass} {Spectrometry}},\n\tisbn = {978-0-471-71644-0},\n\tabstract = {Summary\n\nThis chapter contains sections titled:\n    Introduction\n    Experimental\n    Drug and Pharmaceutical Analysis\n    Samples from the Human Body\n    Condom Lubricants\n    Dyes\n    Explosives\n    Arson Accelerants\n    Chemical Warfare Agents\n    Elevated-Temperature DART for Material Identification\n    Glues\n    Plastics\n    Fibers\n    Identification of Inks\n    Conclusion\n    Acknowledgments\n    References},\n\tbooktitle = {Forensic {Analysis} on the {Cutting} {Edge}: {New} {Methods} for {Trace} {Evidence} {Analysis}},\n\tpublisher = {Wiley-Interscience},\n\tauthor = {Laramée, J. A. and Cody, R. B. and Nilles, J. M. and Durst, H. D.},\n\teditor = {Blackledge, Robert D.},\n\tyear = {2007},\n\tkeywords = {DART; forensic; trace; evidence; AccuTOF},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Summary This chapter contains sections titled: Introduction Experimental Drug and Pharmaceutical Analysis Samples from the Human Body Condom Lubricants Dyes Explosives Arson Accelerants Chemical Warfare Agents Elevated-Temperature DART for Material Identification Glues Plastics Fibers Identification of Inks Conclusion Acknowledgments References\n
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\n \n\n \n \n \n \n \n \n Characterization and differentiation of high energy amine peroxides by direct analysis in real time TOF/MS.\n \n \n \n \n\n\n \n Peña-Quevedo, A. J.; Cody, R.; Mina-Camilde, N.; Ramos, M.; and Hernández-Rivera, S. P.\n\n\n \n\n\n\n Proc. SPIE, 6538: 653828–653828. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{pena-quevedo_characterization_2007,\n\ttitle = {Characterization and differentiation of high energy amine peroxides by direct analysis in real time {TOF}/{MS}},\n\tvolume = {6538},\n\turl = {http://dx.doi.org/10.1117/12.720577},\n\tdoi = {10.1117/12.720577},\n\tabstract = {Characterization of hexamethelene triperoxide diamine (HMTD), tetramethylene diperoxide dicarbamide (TMDD) and tetramethylene diperoxide acetamide (TMDA) has been carried out using Direct Analysis in Real Time/Time of Flight Mass Spectrometry (DART-TOF/MS). The study also centered in the detection of their precursors such as hexamine and formaldehyde. Analysis of the compounds by GC-MS was also conducted. HMTD shows a clear peak at 209 m/z that allowed its detection in standard solutions and lab made standards. TATP samples with deuterium enrichment are being analyzed to compare results that could differentiate from HMTD and similar substances. All samples were characterized by Raman and FT-IR to confirm the DART results. Some of the vibrations observed were in the ν(O-O), ν(N-C), ν(N-H), ν(C-O), δ(CH3-C) and δ(C-O). Development methodology for trace detection was compared with GC/MS and HPLC-MS results previously presented for HMTD and TATP.},\n\tjournal = {Proc. SPIE},\n\tauthor = {Peña-Quevedo, Alvaro J. and Cody, Robert and Mina-Camilde, Nairmen and Ramos, Mildred and Hernández-Rivera, Samuel P.},\n\tyear = {2007},\n\tpages = {653828--653828},\n}\n\n\n\n
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\n Characterization of hexamethelene triperoxide diamine (HMTD), tetramethylene diperoxide dicarbamide (TMDD) and tetramethylene diperoxide acetamide (TMDA) has been carried out using Direct Analysis in Real Time/Time of Flight Mass Spectrometry (DART-TOF/MS). The study also centered in the detection of their precursors such as hexamine and formaldehyde. Analysis of the compounds by GC-MS was also conducted. HMTD shows a clear peak at 209 m/z that allowed its detection in standard solutions and lab made standards. TATP samples with deuterium enrichment are being analyzed to compare results that could differentiate from HMTD and similar substances. All samples were characterized by Raman and FT-IR to confirm the DART results. Some of the vibrations observed were in the ν(O-O), ν(N-C), ν(N-H), ν(C-O), δ(CH3-C) and δ(C-O). Development methodology for trace detection was compared with GC/MS and HPLC-MS results previously presented for HMTD and TATP.\n
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\n \n\n \n \n \n \n \n Direct Analysis in Real Time for Reaction Monitoring in Drug Discovery.\n \n \n \n\n\n \n Petucci, C.; Diffendal, J.; Kaufman, D.; Mekonnen, B.; Terefenko, G.; and Musselman, B.\n\n\n \n\n\n\n Analytical Chemistry, 79(13): 5064–5070. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{petucci_direct_2007,\n\ttitle = {Direct {Analysis} in {Real} {Time} for {Reaction} {Monitoring} in {Drug} {Discovery}},\n\tvolume = {79},\n\tissn = {0003-2700},\n\tabstract = {Direct analysis in real time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. In this study, several commercially available drugs as well as actual compounds from drug discovery research were examined by LC/UV/ESI-MS and DART interfaced to a quadrupole mass spectrometer. For most compounds, the molecular ions observed by ESI-MS were observed by DART/MS. DART/MS was also studied as a means to quickly monitor synthetic organic reactions and to obtain nearly instantaneous molecular weight confirmations of final products in drug discovery. For simple, synthetic organic transformations, the trends in the intensities of the mass spectral signals for the reactant and product obtained by DART/MS scaled closely with those of the diode array or the total ion chromatogram obtained by LC/UV/ESI-MS. In summary, DART is a new tool that complements electrospray ionization for the rapid ionization and subsequent mass spectral analysis of compounds in drug discovery.},\n\tnumber = {13},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Petucci, C. and Diffendal, J. and Kaufman, D. and Mekonnen, B. and Terefenko, G. and Musselman, B.},\n\tyear = {2007},\n\tkeywords = {Waters Quad},\n\tpages = {5064--5070},\n}\n\n\n\n
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\n Direct analysis in real time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. In this study, several commercially available drugs as well as actual compounds from drug discovery research were examined by LC/UV/ESI-MS and DART interfaced to a quadrupole mass spectrometer. For most compounds, the molecular ions observed by ESI-MS were observed by DART/MS. DART/MS was also studied as a means to quickly monitor synthetic organic reactions and to obtain nearly instantaneous molecular weight confirmations of final products in drug discovery. For simple, synthetic organic transformations, the trends in the intensities of the mass spectral signals for the reactant and product obtained by DART/MS scaled closely with those of the diode array or the total ion chromatogram obtained by LC/UV/ESI-MS. In summary, DART is a new tool that complements electrospray ionization for the rapid ionization and subsequent mass spectral analysis of compounds in drug discovery.\n
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\n \n\n \n \n \n \n \n Fundamental and application of the direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Kusai, A.\n\n\n \n\n\n\n Bunseki, 3: 124–127. 2007.\n \n\n\n\n
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@article{kusai_fundamental_2007,\n\ttitle = {Fundamental and application of the direct analysis in real time mass spectrometry},\n\tvolume = {3},\n\tjournal = {Bunseki},\n\tauthor = {Kusai, A.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {124--127},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Comparison of the Novel Direct Analysis in Real Time Time-of-Flight Mass Spectrometry (AccuTOF-DART™) and Signature Analysis for the Identification of Constituents of Refined Illicit Cocaine.\n \n \n \n\n\n \n Ropero-Miller, J. D. S.; Bynum, N. D; and Casale., J. F.\n\n\n \n\n\n\n Microgram Journal, 5(1-4): 5. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{ropero-miller_comparison_2007,\n\ttitle = {Comparison of the {Novel} {Direct} {Analysis} in {Real} {Time} {Time}-of-{Flight} {Mass} {Spectrometry} ({AccuTOF}-{DART}™) and {Signature} {Analysis} for the {Identification} of {Constituents} of {Refined} {Illicit} {Cocaine}},\n\tvolume = {5},\n\tabstract = {The characterization of 25 illicit cocaine samples by a novel application of direct analysis in real time (DART) sample introduction coupled with time-of-flight mass spectrometry (TOF-MS) and cocaine signature analyses is provided. The AccuTOF-DART™ analysis of the cocaine samples resulted in the detection of most analytes, although some compounds were not detected. This new technique is easy, rapid, requires very little sample, and can be used to screen even complex mixtures. Potential applications, including use for signature analyses of controlled substances, are discussed.},\n\tnumber = {1-4},\n\tjournal = {Microgram Journal},\n\tauthor = {Ropero-Miller, Jeri D. Stout and Bynum, Nichole D and Casale., John F.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {5},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n The characterization of 25 illicit cocaine samples by a novel application of direct analysis in real time (DART) sample introduction coupled with time-of-flight mass spectrometry (TOF-MS) and cocaine signature analyses is provided. The AccuTOF-DART™ analysis of the cocaine samples resulted in the detection of most analytes, although some compounds were not detected. This new technique is easy, rapid, requires very little sample, and can be used to screen even complex mixtures. Potential applications, including use for signature analyses of controlled substances, are discussed.\n
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\n \n\n \n \n \n \n \n Ambient generation of fatty acid methyl ester ions from bacterial whole cells by direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Pierce, C. Y.; Barr, J. R.; Cody, R. B.; Massung, R. F.; Woolfitt, A. R.; Moura, H.; Thompson, H. A.; and Fernandez, F. M.\n\n\n \n\n\n\n Chemical Communications, (8): 807 – 809. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{pierce_ambient_2007,\n\ttitle = {Ambient generation of fatty acid methyl ester ions from bacterial whole cells by direct analysis in real time ({DART}) mass spectrometry},\n\tdoi = {10.1039/b613200f},\n\tabstract = {Direct analysis in real time (DART) is implemented on a time-of-flight (TOF) mass spectrometer, and used for the generation of fatty acid methyl esters (FAMEs) ions from whole bacterial cells.},\n\tnumber = {8},\n\tjournal = {Chemical Communications},\n\tauthor = {Pierce, Carrie Y. and Barr, John R. and Cody, Robert B. and Massung, Robert F. and Woolfitt, Adrian R. and Moura, Hercules and Thompson, Herbert A. and Fernandez, Facundo M.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {807 -- 809},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Direct analysis in real time (DART) is implemented on a time-of-flight (TOF) mass spectrometer, and used for the generation of fatty acid methyl esters (FAMEs) ions from whole bacterial cells.\n
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\n \n\n \n \n \n \n \n \n Direct mass spectrometric analysis of flavors and fragrances in real applications using DART.\n \n \n \n \n\n\n \n Haefliger, O. P.; and Jeckelmann, N.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 21(8): 1361–1366. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haefliger_direct_2007,\n\ttitle = {Direct mass spectrometric analysis of flavors and fragrances in real applications using {DART}},\n\tvolume = {21},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.2969},\n\tdoi = {10.1002/rcm.2969},\n\tabstract = {DART (Direct Analysis in Real Time) is an innovative technology to analyze complex solid samples at atmospheric pressure and ground potential by simply placing them between a DART ion source and a mass spectrometer. The analytes are ionized by a gun of neutral metastable species. The first examples of the application of DART to the analysis of flavor and fragrance raw materials in real, complex applications are reported here. A remarkably high potential of the technique is demonstrated. DART was applied to semi-quantitative analyses of perfumery raw materials deposited on smelling strips. In optimal cases, limits of detection around 100 pg were achieved. DART also allowed the assessment of the deposition and release of fragrance on surfaces such as fabric and hair. Finally, DART permitted the screening of twelve chewing gum samples for the possible presence of taste-refreshing compounds in less than 30 min. Copyright © 2007 John Wiley \\& Sons, Ltd.},\n\tnumber = {8},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Haefliger, Olivier P. and Jeckelmann, Nicolas},\n\tyear = {2007},\n\tkeywords = {Thermo TSQ},\n\tpages = {1361--1366},\n}\n\n\n\n
\n
\n\n\n
\n DART (Direct Analysis in Real Time) is an innovative technology to analyze complex solid samples at atmospheric pressure and ground potential by simply placing them between a DART ion source and a mass spectrometer. The analytes are ionized by a gun of neutral metastable species. The first examples of the application of DART to the analysis of flavor and fragrance raw materials in real, complex applications are reported here. A remarkably high potential of the technique is demonstrated. DART was applied to semi-quantitative analyses of perfumery raw materials deposited on smelling strips. In optimal cases, limits of detection around 100 pg were achieved. DART also allowed the assessment of the deposition and release of fragrance on surfaces such as fabric and hair. Finally, DART permitted the screening of twelve chewing gum samples for the possible presence of taste-refreshing compounds in less than 30 min. Copyright © 2007 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Guide to Direct Analysis in Real Time (DART) Ionization Source.\n \n \n \n\n\n \n Konuma, K.\n\n\n \n\n\n\n Farumarushi, 43(9): 903–905. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{konuma_guide_2007,\n\ttitle = {Guide to {Direct} {Analysis} in {Real} {Time} ({DART}) {Ionization} {Source}},\n\tvolume = {43},\n\tabstract = {AccuTOF},\n\tnumber = {9},\n\tjournal = {Farumarushi},\n\tauthor = {Konuma, K.},\n\tyear = {2007},\n\tpages = {903--905},\n}\n\n\n\n
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\n AccuTOF\n
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\n \n\n \n \n \n \n \n Direct analysis for fragrance ingredients using DART-TOFMS.\n \n \n \n\n\n \n Saitoh, K.\n\n\n \n\n\n\n Aroma Research, 8(4): 366–369. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{saitoh_direct_2007,\n\ttitle = {Direct analysis for fragrance ingredients using {DART}-{TOFMS}},\n\tvolume = {8},\n\tnumber = {4},\n\tjournal = {Aroma Research},\n\tauthor = {Saitoh, K.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {366--369},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n AccuTOF-DART Mass Spectrometry.\n \n \n \n\n\n \n Steiner, R.\n\n\n \n\n\n\n Technical Report Virginia Department of Forensic Science Controlled Substances Procedures Manual, Section 31, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@techreport{steiner_accutof-dart_2007,\n\ttitle = {{AccuTOF}-{DART} {Mass} {Spectrometry}},\n\tinstitution = {Virginia Department of Forensic Science Controlled Substances Procedures Manual, Section 31},\n\tauthor = {Steiner, R.R.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid and Unambiguous Identification of Melamine in Contaminated Pet Food Based on Mass Spectrometry with Four Degrees of Confirmation.\n \n \n \n \n\n\n \n Vail, T.; Jones, P. R.; and Sparkman, O. D. D.\n\n\n \n\n\n\n Journal of Analytical Toxicology, 31(6): 304–312. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vail_rapid_2007,\n\ttitle = {Rapid and {Unambiguous} {Identification} of {Melamine} in {Contaminated} {Pet} {Food} {Based} on {Mass} {Spectrometry} with {Four} {Degrees} of {Confirmation}},\n\tvolume = {31},\n\turl = {http://www.ingentaconnect.com/content/pres/jat/2007/00000031/00000006/art00002},\n\tabstract = {A method for analyzing pet food without sample processing is described for rapid identification of melamine based on mass spectrometry (MS) using soft ionization by direct analysis in real time (DART) to provide accurate measurement of mass and isotope-peak intensities, in-source collisionally activated dissociation (CAD) fragmentation, and determination of active hydrogens. Usually, MS analyses based on other than electron ionization (EI) spectra can be suspect because of the limited amount of information provided by a single mass spectral peak (or very few peaks). In such cases, additional degrees of confirmation are desirable to increase confidence in the experimental results. Chromatographic retention time can provide a degree of confidence; however, this requires time and, in some cases, detailed sample processing. Currently, the United States Food and Drug Administration uses a gas chromatography\\&ndash:EI-MS technique for the determination of melamine in pet food that involves sample extraction and derivatization prior to a lengthy chromatographic separation. In the method described here, identification is also confirmed through a determination of the number of active hydrogen atoms in the analyte molecule achieved by hydrogen/deuterium (H/D) exchange by treatment with deuterium oxide (D2O) at the initial stage of analysis. Cross-correlation of these four experimental data provides an unambiguous identification of melamine in contaminated pet food without the need for any sample preparation or chromatography. Limits of detection and the validity of the H/D exchange method as a confirmatory technique are also presented.},\n\tnumber = {6},\n\tjournal = {Journal of Analytical Toxicology},\n\tauthor = {Vail, Teresa and Jones, Patrick R. and Sparkman, O. David D.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {304--312},\n}\n\n\n\n
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\n A method for analyzing pet food without sample processing is described for rapid identification of melamine based on mass spectrometry (MS) using soft ionization by direct analysis in real time (DART) to provide accurate measurement of mass and isotope-peak intensities, in-source collisionally activated dissociation (CAD) fragmentation, and determination of active hydrogens. Usually, MS analyses based on other than electron ionization (EI) spectra can be suspect because of the limited amount of information provided by a single mass spectral peak (or very few peaks). In such cases, additional degrees of confirmation are desirable to increase confidence in the experimental results. Chromatographic retention time can provide a degree of confidence; however, this requires time and, in some cases, detailed sample processing. Currently, the United States Food and Drug Administration uses a gas chromatography&ndash:EI-MS technique for the determination of melamine in pet food that involves sample extraction and derivatization prior to a lengthy chromatographic separation. In the method described here, identification is also confirmed through a determination of the number of active hydrogen atoms in the analyte molecule achieved by hydrogen/deuterium (H/D) exchange by treatment with deuterium oxide (D2O) at the initial stage of analysis. Cross-correlation of these four experimental data provides an unambiguous identification of melamine in contaminated pet food without the need for any sample preparation or chromatography. Limits of detection and the validity of the H/D exchange method as a confirmatory technique are also presented.\n
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\n \n\n \n \n \n \n \n Analysis of Self-Assembled Monolayers on Gold Surfaces Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Kpegba, K.; Spadaro, T.; Cody, R. B.; Nesnas, N.; and Olson, J. A.\n\n\n \n\n\n\n Analytical Chemistry, 79(14): 5479–5483. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{kpegba_analysis_2007,\n\ttitle = {Analysis of {Self}-{Assembled} {Monolayers} on {Gold} {Surfaces} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {79},\n\tissn = {0003-2700},\n\tabstract = {Abstract: Mass spectrometry was performed on self-assembled monolayers (SAMs) of dodecanethiol on gold using the new direct analysis in real time (DART) ionization technique. Observed peaks for the SAMs included monomers, dimers, and trimers of the SAM molecules, with the dimer and trimer relative peak heights enhanced as compared to the spectra for neat dodecanethiol. The possibility that the observed peaks were due to residual (noncovalently bonded) material on the surface was tested by attempting to observe residual dodecanol. No peaks corresponding to dodecanol were observed. These results indicate that DART is an excellent ionization method for the direct and unambiguous mass analysis of chemical species in self-assembled monolayers.},\n\tnumber = {14},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Kpegba, K. and Spadaro, T. and Cody, R. B. and Nesnas, N. and Olson, J. A.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {5479--5483},\n}\n\n\n\n
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\n Abstract: Mass spectrometry was performed on self-assembled monolayers (SAMs) of dodecanethiol on gold using the new direct analysis in real time (DART) ionization technique. Observed peaks for the SAMs included monomers, dimers, and trimers of the SAM molecules, with the dimer and trimer relative peak heights enhanced as compared to the spectra for neat dodecanethiol. The possibility that the observed peaks were due to residual (noncovalently bonded) material on the surface was tested by attempting to observe residual dodecanol. No peaks corresponding to dodecanol were observed. These results indicate that DART is an excellent ionization method for the direct and unambiguous mass analysis of chemical species in self-assembled monolayers.\n
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\n \n\n \n \n \n \n \n Coupling Planar Chromatography with Time-of-Flight Mass Spectrometry Using an Open-Air Ion Source.\n \n \n \n\n\n \n Morlock, G.; and Ueda, Y.\n\n\n \n\n\n\n LCGC: The Peak,7–13. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{morlock_coupling_2007,\n\ttitle = {Coupling {Planar} {Chromatography} with {Time}-of-{Flight} {Mass} {Spectrometry} {Using} an {Open}-{Air} {Ion} {Source}},\n\tjournal = {LCGC: The Peak},\n\tauthor = {Morlock, G. and Ueda, Y.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {7--13},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Chemi-ionization and Direct Analysis in Real Time (DARTTM) Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; and Cody, R. B.\n\n\n \n\n\n\n In Gross, M. L.; and Caprioli, R. M., editor(s), The Encyclopedia of Mass Spectrometry Volume 6: Ionization Methods, pages 377–387. Elsevier, Amsterdam, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@incollection{laramee_chemi-ionization_2007,\n\taddress = {Amsterdam},\n\ttitle = {Chemi-ionization and {Direct} {Analysis} in {Real} {Time} ({DARTTM}) {Mass} {Spectrometry}},\n\tisbn = {0-08-043801-6},\n\tbooktitle = {The {Encyclopedia} of {Mass} {Spectrometry} {Volume} 6: {Ionization} {Methods}},\n\tpublisher = {Elsevier},\n\tauthor = {Laramée, J. A. and Cody, R. B.},\n\teditor = {Gross, Michael L. and Caprioli, Richard M.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {377--387},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n New coupling of planar chromatography with direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Morlock, G.; and Ueda, Y.\n\n\n \n\n\n\n Journal of Chromatography A, 1143(1-2): 243–251. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{morlock_new_2007,\n\ttitle = {New coupling of planar chromatography with direct analysis in real time mass spectrometry},\n\tvolume = {1143},\n\tabstract = {The coupling of planar chromatography with direct analysis in real time time-of-flight mass spectrometry (DART-TOF-MS) was shown for the first time. Cutting the plate within a track led to substance zones positioned on the plate edge which were directly introduced into the DART gas stream. Mass signals were obtained instantaneously within seconds. Detectability was shown in the very low ng-range per zone on the example of isopropylthioxanthone. The coupling was perfectly suited for identification and qualitative purposes, but it was initially critical for quantification of results. Analytical response (R2 0.8202) and repeatability were strongly dependent from proper manual positioning of the HPTLC plate into the electronic or vibronic excited-state gas stream of the ion source. This drawback was overcome by using stable isotope-labeled standards shown on the example of caffeine. This way, analytical response (R2 0.9892) and repeatability (RSD {\\textless} ±5.4\\%, n = 6) were improved to a high extent. Spatial resolution by an in-house-built plate holder system was shown to be better than 3 mm. The decay of the signal was observed. The efficacy of this new coupling was compared to a plunger-based extraction device for HPTLC/electrospray ionisation–MS. The latter device showed detectability down to the pg-range, e.g. the limit of quantification for isopropylthioxanthone was found to be 100 pg. Repeatability was comparable (RSD ± 6.7\\%), however, without the need of internal standard correction. Analytical response was slightly better and showed a determination coefficient R2 of 0.9983. Similar data were obtained for caffeine as well. Spatial resolution was 2 mm or 4 mm depending on the plunger head used. The comparison showed that HPTLC/DART-TOF-MS is a useful coupling method regarding qualitative aspects and it has the potential to cope also with the difficulties of quantification if isotope-labeled standards were used or if a plate holder system is employed as initially shown},\n\tnumber = {1-2},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Morlock, Gertrud and Ueda, Yoshihisa},\n\tyear = {2007},\n\tkeywords = {Planar chromatography; HPTLC/DART-TOF-MS; HPTLC/ESI-MS; DART; AccuTOF},\n\tpages = {243--251},\n}\n\n\n\n
\n
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\n The coupling of planar chromatography with direct analysis in real time time-of-flight mass spectrometry (DART-TOF-MS) was shown for the first time. Cutting the plate within a track led to substance zones positioned on the plate edge which were directly introduced into the DART gas stream. Mass signals were obtained instantaneously within seconds. Detectability was shown in the very low ng-range per zone on the example of isopropylthioxanthone. The coupling was perfectly suited for identification and qualitative purposes, but it was initially critical for quantification of results. Analytical response (R2 0.8202) and repeatability were strongly dependent from proper manual positioning of the HPTLC plate into the electronic or vibronic excited-state gas stream of the ion source. This drawback was overcome by using stable isotope-labeled standards shown on the example of caffeine. This way, analytical response (R2 0.9892) and repeatability (RSD \\textless ±5.4%, n = 6) were improved to a high extent. Spatial resolution by an in-house-built plate holder system was shown to be better than 3 mm. The decay of the signal was observed. The efficacy of this new coupling was compared to a plunger-based extraction device for HPTLC/electrospray ionisation–MS. The latter device showed detectability down to the pg-range, e.g. the limit of quantification for isopropylthioxanthone was found to be 100 pg. Repeatability was comparable (RSD ± 6.7%), however, without the need of internal standard correction. Analytical response was slightly better and showed a determination coefficient R2 of 0.9983. Similar data were obtained for caffeine as well. Spatial resolution was 2 mm or 4 mm depending on the plunger head used. The comparison showed that HPTLC/DART-TOF-MS is a useful coupling method regarding qualitative aspects and it has the potential to cope also with the difficulties of quantification if isotope-labeled standards were used or if a plate holder system is employed as initially shown\n
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\n \n\n \n \n \n \n \n Forensic Application of DART (Direct Analysis in Real Time) Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; Cody, R. B.; Nilles, J. M.; and Durst, H. D.\n\n\n \n\n\n\n In Blackledge, R. D., editor(s), Forensic Analysis on the Cutting Edge: New Methods for Trace Evidence Analysis. Wiley-Interscience, Hoboken, NJ, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@incollection{laramee_forensic_2007,\n\taddress = {Hoboken, NJ},\n\ttitle = {Forensic {Application} of {DART} ({Direct} {Analysis} in {Real} {Time}) {Mass} {Spectrometry}},\n\tisbn = {978-0-471-71644-0},\n\tabstract = {Summary\n\nThis chapter contains sections titled:\n    Introduction\n    Experimental\n    Drug and Pharmaceutical Analysis\n    Samples from the Human Body\n    Condom Lubricants\n    Dyes\n    Explosives\n    Arson Accelerants\n    Chemical Warfare Agents\n    Elevated-Temperature DART for Material Identification\n    Glues\n    Plastics\n    Fibers\n    Identification of Inks\n    Conclusion\n    Acknowledgments\n    References},\n\tbooktitle = {Forensic {Analysis} on the {Cutting} {Edge}: {New} {Methods} for {Trace} {Evidence} {Analysis}},\n\tpublisher = {Wiley-Interscience},\n\tauthor = {Laramée, J. A. and Cody, R. B. and Nilles, J. M. and Durst, H. D.},\n\teditor = {Blackledge, Robert D.},\n\tyear = {2007},\n\tkeywords = {DART; forensic; trace; evidence; AccuTOF},\n}\n\n\n\n
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\n Summary This chapter contains sections titled: Introduction Experimental Drug and Pharmaceutical Analysis Samples from the Human Body Condom Lubricants Dyes Explosives Arson Accelerants Chemical Warfare Agents Elevated-Temperature DART for Material Identification Glues Plastics Fibers Identification of Inks Conclusion Acknowledgments References\n
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\n \n\n \n \n \n \n \n \n Characterization and differentiation of high energy amine peroxides by direct analysis in real time TOF/MS.\n \n \n \n \n\n\n \n Peña-Quevedo, A. J.; Cody, R.; Mina-Camilde, N.; Ramos, M.; and Hernández-Rivera, S. P.\n\n\n \n\n\n\n Proc. SPIE, 6538: 653828–653828. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{pena-quevedo_characterization_2007,\n\ttitle = {Characterization and differentiation of high energy amine peroxides by direct analysis in real time {TOF}/{MS}},\n\tvolume = {6538},\n\turl = {http://dx.doi.org/10.1117/12.720577},\n\tdoi = {10.1117/12.720577},\n\tabstract = {Characterization of hexamethelene triperoxide diamine (HMTD), tetramethylene diperoxide dicarbamide (TMDD) and tetramethylene diperoxide acetamide (TMDA) has been carried out using Direct Analysis in Real Time/Time of Flight Mass Spectrometry (DART-TOF/MS). The study also centered in the detection of their precursors such as hexamine and formaldehyde. Analysis of the compounds by GC-MS was also conducted. HMTD shows a clear peak at 209 m/z that allowed its detection in standard solutions and lab made standards. TATP samples with deuterium enrichment are being analyzed to compare results that could differentiate from HMTD and similar substances. All samples were characterized by Raman and FT-IR to confirm the DART results. Some of the vibrations observed were in the ν(O-O), ν(N-C), ν(N-H), ν(C-O), δ(CH3-C) and δ(C-O). Development methodology for trace detection was compared with GC/MS and HPLC-MS results previously presented for HMTD and TATP.},\n\tjournal = {Proc. SPIE},\n\tauthor = {Peña-Quevedo, Alvaro J. and Cody, Robert and Mina-Camilde, Nairmen and Ramos, Mildred and Hernández-Rivera, Samuel P.},\n\tyear = {2007},\n\tpages = {653828--653828},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Characterization of hexamethelene triperoxide diamine (HMTD), tetramethylene diperoxide dicarbamide (TMDD) and tetramethylene diperoxide acetamide (TMDA) has been carried out using Direct Analysis in Real Time/Time of Flight Mass Spectrometry (DART-TOF/MS). The study also centered in the detection of their precursors such as hexamine and formaldehyde. Analysis of the compounds by GC-MS was also conducted. HMTD shows a clear peak at 209 m/z that allowed its detection in standard solutions and lab made standards. TATP samples with deuterium enrichment are being analyzed to compare results that could differentiate from HMTD and similar substances. All samples were characterized by Raman and FT-IR to confirm the DART results. Some of the vibrations observed were in the ν(O-O), ν(N-C), ν(N-H), ν(C-O), δ(CH3-C) and δ(C-O). Development methodology for trace detection was compared with GC/MS and HPLC-MS results previously presented for HMTD and TATP.\n
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\n \n\n \n \n \n \n \n Comparison of the Novel Direct Analysis in Real Time Time-of-Flight Mass Spectrometry (AccuTOF-DART™) and Signature Analysis for the Identification of Constituents of Refined Illicit Cocaine.\n \n \n \n\n\n \n Ropero-Miller, J. D. S.; Bynum, N. D; and Casale., J. F.\n\n\n \n\n\n\n Microgram Journal, 5(1-4): 5. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{ropero-miller_comparison_2007,\n\ttitle = {Comparison of the {Novel} {Direct} {Analysis} in {Real} {Time} {Time}-of-{Flight} {Mass} {Spectrometry} ({AccuTOF}-{DART}™) and {Signature} {Analysis} for the {Identification} of {Constituents} of {Refined} {Illicit} {Cocaine}},\n\tvolume = {5},\n\tabstract = {The characterization of 25 illicit cocaine samples by a novel application of direct analysis in real time (DART) sample introduction coupled with time-of-flight mass spectrometry (TOF-MS) and cocaine signature analyses is provided. The AccuTOF-DART™ analysis of the cocaine samples resulted in the detection of most analytes, although some compounds were not detected. This new technique is easy, rapid, requires very little sample, and can be used to screen even complex mixtures. Potential applications, including use for signature analyses of controlled substances, are discussed.},\n\tnumber = {1-4},\n\tjournal = {Microgram Journal},\n\tauthor = {Ropero-Miller, Jeri D. Stout and Bynum, Nichole D and Casale., John F.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {5},\n}\n\n\n\n
\n
\n\n\n
\n The characterization of 25 illicit cocaine samples by a novel application of direct analysis in real time (DART) sample introduction coupled with time-of-flight mass spectrometry (TOF-MS) and cocaine signature analyses is provided. The AccuTOF-DART™ analysis of the cocaine samples resulted in the detection of most analytes, although some compounds were not detected. This new technique is easy, rapid, requires very little sample, and can be used to screen even complex mixtures. Potential applications, including use for signature analyses of controlled substances, are discussed.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n Direct Analysis in Real Time for Reaction Monitoring in Drug Discovery.\n \n \n \n\n\n \n Petucci, C.; Diffendal, J.; Kaufman, D.; Mekonnen, B.; Terefenko, G.; and Musselman, B.\n\n\n \n\n\n\n Analytical Chemistry, 79(13): 5064–5070. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{petucci_direct_2007,\n\ttitle = {Direct {Analysis} in {Real} {Time} for {Reaction} {Monitoring} in {Drug} {Discovery}},\n\tvolume = {79},\n\tissn = {0003-2700},\n\tabstract = {Direct analysis in real time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. In this study, several commercially available drugs as well as actual compounds from drug discovery research were examined by LC/UV/ESI-MS and DART interfaced to a quadrupole mass spectrometer. For most compounds, the molecular ions observed by ESI-MS were observed by DART/MS. DART/MS was also studied as a means to quickly monitor synthetic organic reactions and to obtain nearly instantaneous molecular weight confirmations of final products in drug discovery. For simple, synthetic organic transformations, the trends in the intensities of the mass spectral signals for the reactant and product obtained by DART/MS scaled closely with those of the diode array or the total ion chromatogram obtained by LC/UV/ESI-MS. In summary, DART is a new tool that complements electrospray ionization for the rapid ionization and subsequent mass spectral analysis of compounds in drug discovery.},\n\tnumber = {13},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Petucci, C. and Diffendal, J. and Kaufman, D. and Mekonnen, B. and Terefenko, G. and Musselman, B.},\n\tyear = {2007},\n\tkeywords = {Waters Quad},\n\tpages = {5064--5070},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. In this study, several commercially available drugs as well as actual compounds from drug discovery research were examined by LC/UV/ESI-MS and DART interfaced to a quadrupole mass spectrometer. For most compounds, the molecular ions observed by ESI-MS were observed by DART/MS. DART/MS was also studied as a means to quickly monitor synthetic organic reactions and to obtain nearly instantaneous molecular weight confirmations of final products in drug discovery. For simple, synthetic organic transformations, the trends in the intensities of the mass spectral signals for the reactant and product obtained by DART/MS scaled closely with those of the diode array or the total ion chromatogram obtained by LC/UV/ESI-MS. In summary, DART is a new tool that complements electrospray ionization for the rapid ionization and subsequent mass spectral analysis of compounds in drug discovery.\n
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\n \n\n \n \n \n \n \n Fundamental and application of the direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Kusai, A.\n\n\n \n\n\n\n Bunseki, 3: 124–127. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kusai_fundamental_2007,\n\ttitle = {Fundamental and application of the direct analysis in real time mass spectrometry},\n\tvolume = {3},\n\tjournal = {Bunseki},\n\tauthor = {Kusai, A.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {124--127},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Ambient generation of fatty acid methyl ester ions from bacterial whole cells by direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Pierce, C. Y.; Barr, J. R.; Cody, R. B.; Massung, R. F.; Woolfitt, A. R.; Moura, H.; Thompson, H. A.; and Fernandez, F. M.\n\n\n \n\n\n\n Chemical Communications, (8): 807 – 809. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{pierce_ambient_2007,\n\ttitle = {Ambient generation of fatty acid methyl ester ions from bacterial whole cells by direct analysis in real time ({DART}) mass spectrometry},\n\tdoi = {10.1039/b613200f},\n\tabstract = {Direct analysis in real time (DART) is implemented on a time-of-flight (TOF) mass spectrometer, and used for the generation of fatty acid methyl esters (FAMEs) ions from whole bacterial cells.},\n\tnumber = {8},\n\tjournal = {Chemical Communications},\n\tauthor = {Pierce, Carrie Y. and Barr, John R. and Cody, Robert B. and Massung, Robert F. and Woolfitt, Adrian R. and Moura, Hercules and Thompson, Herbert A. and Fernandez, Facundo M.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {807 -- 809},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is implemented on a time-of-flight (TOF) mass spectrometer, and used for the generation of fatty acid methyl esters (FAMEs) ions from whole bacterial cells.\n
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\n \n\n \n \n \n \n \n \n Direct mass spectrometric analysis of flavors and fragrances in real applications using DART.\n \n \n \n \n\n\n \n Haefliger, O. P.; and Jeckelmann, N.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 21(8): 1361–1366. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haefliger_direct_2007,\n\ttitle = {Direct mass spectrometric analysis of flavors and fragrances in real applications using {DART}},\n\tvolume = {21},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.2969},\n\tdoi = {10.1002/rcm.2969},\n\tabstract = {DART (Direct Analysis in Real Time) is an innovative technology to analyze complex solid samples at atmospheric pressure and ground potential by simply placing them between a DART ion source and a mass spectrometer. The analytes are ionized by a gun of neutral metastable species. The first examples of the application of DART to the analysis of flavor and fragrance raw materials in real, complex applications are reported here. A remarkably high potential of the technique is demonstrated. DART was applied to semi-quantitative analyses of perfumery raw materials deposited on smelling strips. In optimal cases, limits of detection around 100 pg were achieved. DART also allowed the assessment of the deposition and release of fragrance on surfaces such as fabric and hair. Finally, DART permitted the screening of twelve chewing gum samples for the possible presence of taste-refreshing compounds in less than 30 min. Copyright © 2007 John Wiley \\& Sons, Ltd.},\n\tnumber = {8},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Haefliger, Olivier P. and Jeckelmann, Nicolas},\n\tyear = {2007},\n\tkeywords = {Thermo TSQ},\n\tpages = {1361--1366},\n}\n\n\n\n
\n
\n\n\n
\n DART (Direct Analysis in Real Time) is an innovative technology to analyze complex solid samples at atmospheric pressure and ground potential by simply placing them between a DART ion source and a mass spectrometer. The analytes are ionized by a gun of neutral metastable species. The first examples of the application of DART to the analysis of flavor and fragrance raw materials in real, complex applications are reported here. A remarkably high potential of the technique is demonstrated. DART was applied to semi-quantitative analyses of perfumery raw materials deposited on smelling strips. In optimal cases, limits of detection around 100 pg were achieved. DART also allowed the assessment of the deposition and release of fragrance on surfaces such as fabric and hair. Finally, DART permitted the screening of twelve chewing gum samples for the possible presence of taste-refreshing compounds in less than 30 min. Copyright © 2007 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Guide to Direct Analysis in Real Time (DART) Ionization Source.\n \n \n \n\n\n \n Konuma, K.\n\n\n \n\n\n\n Farumarushi, 43(9): 903–905. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{konuma_guide_2007,\n\ttitle = {Guide to {Direct} {Analysis} in {Real} {Time} ({DART}) {Ionization} {Source}},\n\tvolume = {43},\n\tabstract = {AccuTOF},\n\tnumber = {9},\n\tjournal = {Farumarushi},\n\tauthor = {Konuma, K.},\n\tyear = {2007},\n\tpages = {903--905},\n}\n\n\n\n
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\n AccuTOF\n
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\n \n\n \n \n \n \n \n AccuTOF-DART Mass Spectrometry.\n \n \n \n\n\n \n Steiner, R.\n\n\n \n\n\n\n Technical Report Virginia Department of Forensic Science Controlled Substances Procedures Manual, Section 31, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@techreport{steiner_accutof-dart_2007,\n\ttitle = {{AccuTOF}-{DART} {Mass} {Spectrometry}},\n\tinstitution = {Virginia Department of Forensic Science Controlled Substances Procedures Manual, Section 31},\n\tauthor = {Steiner, R.R.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Direct analysis for fragrance ingredients using DART-TOFMS.\n \n \n \n\n\n \n Saitoh, K.\n\n\n \n\n\n\n Aroma Research, 8(4): 366–369. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{saitoh_direct_2007,\n\ttitle = {Direct analysis for fragrance ingredients using {DART}-{TOFMS}},\n\tvolume = {8},\n\tnumber = {4},\n\tjournal = {Aroma Research},\n\tauthor = {Saitoh, K.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {366--369},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n Guide to Direct Analysis in Real Time (DART) Ionization Source.\n \n \n \n\n\n \n Konuma, K.\n\n\n \n\n\n\n Farumarushi, 43(9): 903–905. 2007.\n 00000\n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{konuma_guide_2007,\n\ttitle = {Guide to {Direct} {Analysis} in {Real} {Time} ({DART}) {Ionization} {Source}},\n\tvolume = {43},\n\tabstract = {AccuTOF},\n\tnumber = {9},\n\tjournal = {Farumarushi},\n\tauthor = {Konuma, K.},\n\tyear = {2007},\n\tnote = {00000},\n\tpages = {903--905},\n}\n\n\n\n
\n
\n\n\n
\n AccuTOF\n
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\n \n\n \n \n \n \n \n Analysis of Self-Assembled Monolayers on Gold Surfaces Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n\n\n \n Kpegba, K.; Spadaro, T.; Cody, R. B.; Nesnas, N.; and Olson, J. A.\n\n\n \n\n\n\n Analytical Chemistry, 79(14): 5479–5483. 2007.\n 00077\n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kpegba_analysis_2007,\n\ttitle = {Analysis of {Self}-{Assembled} {Monolayers} on {Gold} {Surfaces} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {79},\n\tissn = {0003-2700},\n\tabstract = {Abstract: Mass spectrometry was performed on self-assembled monolayers (SAMs) of dodecanethiol on gold using the new direct analysis in real time (DART) ionization technique. Observed peaks for the SAMs included monomers, dimers, and trimers of the SAM molecules, with the dimer and trimer relative peak heights enhanced as compared to the spectra for neat dodecanethiol. The possibility that the observed peaks were due to residual (noncovalently bonded) material on the surface was tested by attempting to observe residual dodecanol. No peaks corresponding to dodecanol were observed. These results indicate that DART is an excellent ionization method for the direct and unambiguous mass analysis of chemical species in self-assembled monolayers.},\n\tnumber = {14},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Kpegba, K. and Spadaro, T. and Cody, R. B. and Nesnas, N. and Olson, J. A.},\n\tyear = {2007},\n\tnote = {00077},\n\tkeywords = {AccuTOF},\n\tpages = {5479--5483},\n}\n\n\n\n
\n
\n\n\n
\n Abstract: Mass spectrometry was performed on self-assembled monolayers (SAMs) of dodecanethiol on gold using the new direct analysis in real time (DART) ionization technique. Observed peaks for the SAMs included monomers, dimers, and trimers of the SAM molecules, with the dimer and trimer relative peak heights enhanced as compared to the spectra for neat dodecanethiol. The possibility that the observed peaks were due to residual (noncovalently bonded) material on the surface was tested by attempting to observe residual dodecanol. No peaks corresponding to dodecanol were observed. These results indicate that DART is an excellent ionization method for the direct and unambiguous mass analysis of chemical species in self-assembled monolayers.\n
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\n\n\n
\n \n\n \n \n \n \n \n New coupling of planar chromatography with direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Morlock, G.; and Ueda, Y.\n\n\n \n\n\n\n Journal of Chromatography A, 1143(1-2): 243–251. 2007.\n 00148\n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{morlock_new_2007,\n\ttitle = {New coupling of planar chromatography with direct analysis in real time mass spectrometry},\n\tvolume = {1143},\n\tabstract = {The coupling of planar chromatography with direct analysis in real time time-of-flight mass spectrometry (DART-TOF-MS) was shown for the first time. Cutting the plate within a track led to substance zones positioned on the plate edge which were directly introduced into the DART gas stream. Mass signals were obtained instantaneously within seconds. Detectability was shown in the very low ng-range per zone on the example of isopropylthioxanthone. The coupling was perfectly suited for identification and qualitative purposes, but it was initially critical for quantification of results. Analytical response (R2 0.8202) and repeatability were strongly dependent from proper manual positioning of the HPTLC plate into the electronic or vibronic excited-state gas stream of the ion source. This drawback was overcome by using stable isotope-labeled standards shown on the example of caffeine. This way, analytical response (R2 0.9892) and repeatability (RSD {\\textless} ±5.4\\%, n = 6) were improved to a high extent. Spatial resolution by an in-house-built plate holder system was shown to be better than 3 mm. The decay of the signal was observed. The efficacy of this new coupling was compared to a plunger-based extraction device for HPTLC/electrospray ionisation–MS. The latter device showed detectability down to the pg-range, e.g. the limit of quantification for isopropylthioxanthone was found to be 100 pg. Repeatability was comparable (RSD ± 6.7\\%), however, without the need of internal standard correction. Analytical response was slightly better and showed a determination coefficient R2 of 0.9983. Similar data were obtained for caffeine as well. Spatial resolution was 2 mm or 4 mm depending on the plunger head used. The comparison showed that HPTLC/DART-TOF-MS is a useful coupling method regarding qualitative aspects and it has the potential to cope also with the difficulties of quantification if isotope-labeled standards were used or if a plate holder system is employed as initially shown},\n\tnumber = {1-2},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Morlock, Gertrud and Ueda, Yoshihisa},\n\tyear = {2007},\n\tnote = {00148},\n\tkeywords = {Planar chromatography; HPTLC/DART-TOF-MS; HPTLC/ESI-MS; DART; AccuTOF},\n\tpages = {243--251},\n}\n\n\n\n
\n
\n\n\n
\n The coupling of planar chromatography with direct analysis in real time time-of-flight mass spectrometry (DART-TOF-MS) was shown for the first time. Cutting the plate within a track led to substance zones positioned on the plate edge which were directly introduced into the DART gas stream. Mass signals were obtained instantaneously within seconds. Detectability was shown in the very low ng-range per zone on the example of isopropylthioxanthone. The coupling was perfectly suited for identification and qualitative purposes, but it was initially critical for quantification of results. Analytical response (R2 0.8202) and repeatability were strongly dependent from proper manual positioning of the HPTLC plate into the electronic or vibronic excited-state gas stream of the ion source. This drawback was overcome by using stable isotope-labeled standards shown on the example of caffeine. This way, analytical response (R2 0.9892) and repeatability (RSD \\textless ±5.4%, n = 6) were improved to a high extent. Spatial resolution by an in-house-built plate holder system was shown to be better than 3 mm. The decay of the signal was observed. The efficacy of this new coupling was compared to a plunger-based extraction device for HPTLC/electrospray ionisation–MS. The latter device showed detectability down to the pg-range, e.g. the limit of quantification for isopropylthioxanthone was found to be 100 pg. Repeatability was comparable (RSD ± 6.7%), however, without the need of internal standard correction. Analytical response was slightly better and showed a determination coefficient R2 of 0.9983. Similar data were obtained for caffeine as well. Spatial resolution was 2 mm or 4 mm depending on the plunger head used. The comparison showed that HPTLC/DART-TOF-MS is a useful coupling method regarding qualitative aspects and it has the potential to cope also with the difficulties of quantification if isotope-labeled standards were used or if a plate holder system is employed as initially shown\n
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\n \n\n \n \n \n \n \n \n Characterization and differentiation of high energy amine peroxides by direct analysis in real time TOF/MS.\n \n \n \n \n\n\n \n Peña-Quevedo, A. J.; Cody, R.; Mina-Camilde, N.; Ramos, M.; and Hernández-Rivera, S. P.\n\n\n \n\n\n\n Proc. SPIE, 6538: 653828–653828. 2007.\n 00015\n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{pena-quevedo_characterization_2007,\n\ttitle = {Characterization and differentiation of high energy amine peroxides by direct analysis in real time {TOF}/{MS}},\n\tvolume = {6538},\n\turl = {http://dx.doi.org/10.1117/12.720577},\n\tdoi = {10.1117/12.720577},\n\tabstract = {Characterization of hexamethelene triperoxide diamine (HMTD), tetramethylene diperoxide dicarbamide (TMDD) and tetramethylene diperoxide acetamide (TMDA) has been carried out using Direct Analysis in Real Time/Time of Flight Mass Spectrometry (DART-TOF/MS). The study also centered in the detection of their precursors such as hexamine and formaldehyde. Analysis of the compounds by GC-MS was also conducted. HMTD shows a clear peak at 209 m/z that allowed its detection in standard solutions and lab made standards. TATP samples with deuterium enrichment are being analyzed to compare results that could differentiate from HMTD and similar substances. All samples were characterized by Raman and FT-IR to confirm the DART results. Some of the vibrations observed were in the ν(O-O), ν(N-C), ν(N-H), ν(C-O), δ(CH3-C) and δ(C-O). Development methodology for trace detection was compared with GC/MS and HPLC-MS results previously presented for HMTD and TATP.},\n\tjournal = {Proc. SPIE},\n\tauthor = {Peña-Quevedo, Alvaro J. and Cody, Robert and Mina-Camilde, Nairmen and Ramos, Mildred and Hernández-Rivera, Samuel P.},\n\tyear = {2007},\n\tnote = {00015},\n\tpages = {653828--653828},\n}\n\n\n\n
\n
\n\n\n
\n Characterization of hexamethelene triperoxide diamine (HMTD), tetramethylene diperoxide dicarbamide (TMDD) and tetramethylene diperoxide acetamide (TMDA) has been carried out using Direct Analysis in Real Time/Time of Flight Mass Spectrometry (DART-TOF/MS). The study also centered in the detection of their precursors such as hexamine and formaldehyde. Analysis of the compounds by GC-MS was also conducted. HMTD shows a clear peak at 209 m/z that allowed its detection in standard solutions and lab made standards. TATP samples with deuterium enrichment are being analyzed to compare results that could differentiate from HMTD and similar substances. All samples were characterized by Raman and FT-IR to confirm the DART results. Some of the vibrations observed were in the ν(O-O), ν(N-C), ν(N-H), ν(C-O), δ(CH3-C) and δ(C-O). Development methodology for trace detection was compared with GC/MS and HPLC-MS results previously presented for HMTD and TATP.\n
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\n \n\n \n \n \n \n \n Ambient generation of fatty acid methyl ester ions from bacterial whole cells by direct analysis in real time (DART) mass spectrometry.\n \n \n \n\n\n \n Pierce, C. Y.; Barr, J. R.; Cody, R. B.; Massung, R. F.; Woolfitt, A. R.; Moura, H.; Thompson, H. A.; and Fernandez, F. M.\n\n\n \n\n\n\n Chemical Communications, (8): 807 – 809. 2007.\n 00071\n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{pierce_ambient_2007,\n\ttitle = {Ambient generation of fatty acid methyl ester ions from bacterial whole cells by direct analysis in real time ({DART}) mass spectrometry},\n\tdoi = {10.1039/b613200f},\n\tabstract = {Direct analysis in real time (DART) is implemented on a time-of-flight (TOF) mass spectrometer, and used for the generation of fatty acid methyl esters (FAMEs) ions from whole bacterial cells.},\n\tnumber = {8},\n\tjournal = {Chemical Communications},\n\tauthor = {Pierce, Carrie Y. and Barr, John R. and Cody, Robert B. and Massung, Robert F. and Woolfitt, Adrian R. and Moura, Hercules and Thompson, Herbert A. and Fernandez, Facundo M.},\n\tyear = {2007},\n\tnote = {00071},\n\tkeywords = {AccuTOF},\n\tpages = {807 -- 809},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is implemented on a time-of-flight (TOF) mass spectrometer, and used for the generation of fatty acid methyl esters (FAMEs) ions from whole bacterial cells.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n Comparison of the Novel Direct Analysis in Real Time Time-of-Flight Mass Spectrometry (AccuTOF-DART™) and Signature Analysis for the Identification of Constituents of Refined Illicit Cocaine.\n \n \n \n\n\n \n Ropero-Miller, J. D. S.; Bynum, N. D; and Casale., J. F.\n\n\n \n\n\n\n Microgram Journal, 5(1-4): 5. 2007.\n 00014\n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{ropero-miller_comparison_2007,\n\ttitle = {Comparison of the {Novel} {Direct} {Analysis} in {Real} {Time} {Time}-of-{Flight} {Mass} {Spectrometry} ({AccuTOF}-{DART}™) and {Signature} {Analysis} for the {Identification} of {Constituents} of {Refined} {Illicit} {Cocaine}},\n\tvolume = {5},\n\tabstract = {The characterization of 25 illicit cocaine samples by a novel application of direct analysis in real time (DART) sample introduction coupled with time-of-flight mass spectrometry (TOF-MS) and cocaine signature analyses is provided. The AccuTOF-DART™ analysis of the cocaine samples resulted in the detection of most analytes, although some compounds were not detected. This new technique is easy, rapid, requires very little sample, and can be used to screen even complex mixtures. Potential applications, including use for signature analyses of controlled substances, are discussed.},\n\tnumber = {1-4},\n\tjournal = {Microgram Journal},\n\tauthor = {Ropero-Miller, Jeri D. Stout and Bynum, Nichole D and Casale., John F.},\n\tyear = {2007},\n\tnote = {00014},\n\tkeywords = {AccuTOF},\n\tpages = {5},\n}\n\n\n\n
\n
\n\n\n
\n The characterization of 25 illicit cocaine samples by a novel application of direct analysis in real time (DART) sample introduction coupled with time-of-flight mass spectrometry (TOF-MS) and cocaine signature analyses is provided. The AccuTOF-DART™ analysis of the cocaine samples resulted in the detection of most analytes, although some compounds were not detected. This new technique is easy, rapid, requires very little sample, and can be used to screen even complex mixtures. Potential applications, including use for signature analyses of controlled substances, are discussed.\n
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\n\n\n
\n \n\n \n \n \n \n \n Direct Analysis in Real Time for Reaction Monitoring in Drug Discovery.\n \n \n \n\n\n \n Petucci, C.; Diffendal, J.; Kaufman, D.; Mekonnen, B.; Terefenko, G.; and Musselman, B.\n\n\n \n\n\n\n Analytical Chemistry, 79(13): 5064–5070. 2007.\n 00142\n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{petucci_direct_2007,\n\ttitle = {Direct {Analysis} in {Real} {Time} for {Reaction} {Monitoring} in {Drug} {Discovery}},\n\tvolume = {79},\n\tissn = {0003-2700},\n\tabstract = {Direct analysis in real time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. In this study, several commercially available drugs as well as actual compounds from drug discovery research were examined by LC/UV/ESI-MS and DART interfaced to a quadrupole mass spectrometer. For most compounds, the molecular ions observed by ESI-MS were observed by DART/MS. DART/MS was also studied as a means to quickly monitor synthetic organic reactions and to obtain nearly instantaneous molecular weight confirmations of final products in drug discovery. For simple, synthetic organic transformations, the trends in the intensities of the mass spectral signals for the reactant and product obtained by DART/MS scaled closely with those of the diode array or the total ion chromatogram obtained by LC/UV/ESI-MS. In summary, DART is a new tool that complements electrospray ionization for the rapid ionization and subsequent mass spectral analysis of compounds in drug discovery.},\n\tnumber = {13},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Petucci, C. and Diffendal, J. and Kaufman, D. and Mekonnen, B. and Terefenko, G. and Musselman, B.},\n\tyear = {2007},\n\tnote = {00142},\n\tkeywords = {Waters Quad},\n\tpages = {5064--5070},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. In this study, several commercially available drugs as well as actual compounds from drug discovery research were examined by LC/UV/ESI-MS and DART interfaced to a quadrupole mass spectrometer. For most compounds, the molecular ions observed by ESI-MS were observed by DART/MS. DART/MS was also studied as a means to quickly monitor synthetic organic reactions and to obtain nearly instantaneous molecular weight confirmations of final products in drug discovery. For simple, synthetic organic transformations, the trends in the intensities of the mass spectral signals for the reactant and product obtained by DART/MS scaled closely with those of the diode array or the total ion chromatogram obtained by LC/UV/ESI-MS. In summary, DART is a new tool that complements electrospray ionization for the rapid ionization and subsequent mass spectral analysis of compounds in drug discovery.\n
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\n\n\n
\n \n\n \n \n \n \n \n Coupling Planar Chromatography with Time-of-Flight Mass Spectrometry Using an Open-Air Ion Source.\n \n \n \n\n\n \n Morlock, G.; and Ueda, Y.\n\n\n \n\n\n\n LCGC: The Peak,7–13. 2007.\n 00002\n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{morlock_coupling_2007,\n\ttitle = {Coupling {Planar} {Chromatography} with {Time}-of-{Flight} {Mass} {Spectrometry} {Using} an {Open}-{Air} {Ion} {Source}},\n\tjournal = {LCGC: The Peak},\n\tauthor = {Morlock, G. and Ueda, Y.},\n\tyear = {2007},\n\tnote = {00002},\n\tkeywords = {AccuTOF},\n\tpages = {7--13},\n}\n\n\n\n
\n
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\n \n\n \n \n \n \n \n Chemi-ionization and Direct Analysis in Real Time (DARTTM) Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; and Cody, R. B.\n\n\n \n\n\n\n In Gross, M. L.; and Caprioli, R. M., editor(s), The Encyclopedia of Mass Spectrometry Volume 6: Ionization Methods, pages 377–387. Elsevier, Amsterdam, 2007.\n 00000\n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@incollection{laramee_chemi-ionization_2007,\n\taddress = {Amsterdam},\n\ttitle = {Chemi-ionization and {Direct} {Analysis} in {Real} {Time} ({DARTTM}) {Mass} {Spectrometry}},\n\tisbn = {0-08-0438016},\n\tbooktitle = {The {Encyclopedia} of {Mass} {Spectrometry} {Volume} 6: {Ionization} {Methods}},\n\tpublisher = {Elsevier},\n\tauthor = {Laramée, J. A. and Cody, R. B.},\n\teditor = {Gross, Michael L. and Caprioli, Richard M.},\n\tyear = {2007},\n\tnote = {00000},\n\tkeywords = {AccuTOF},\n\tpages = {377--387},\n}\n\n\n\n
\n
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\n\n\n
\n \n\n \n \n \n \n \n Forensic Application of DART (Direct Analysis in Real Time) Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; Cody, R. B.; Nilles, J. M.; and Durst, H. D.\n\n\n \n\n\n\n In Blackledge, R. D., editor(s), Forensic Analysis on the Cutting Edge: New Methods for Trace Evidence Analysis. Wiley-Interscience, Hoboken, NJ, 2007.\n 00000\n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@incollection{laramee_forensic_2007,\n\taddress = {Hoboken, NJ},\n\ttitle = {Forensic {Application} of {DART} ({Direct} {Analysis} in {Real} {Time}) {Mass} {Spectrometry}},\n\tisbn = {978-0-471-71644-0},\n\tabstract = {Summary\n\nThis chapter contains sections titled:\n    Introduction\n    Experimental\n    Drug and Pharmaceutical Analysis\n    Samples from the Human Body\n    Condom Lubricants\n    Dyes\n    Explosives\n    Arson Accelerants\n    Chemical Warfare Agents\n    Elevated-Temperature DART for Material Identification\n    Glues\n    Plastics\n    Fibers\n    Identification of Inks\n    Conclusion\n    Acknowledgments\n    References},\n\tbooktitle = {Forensic {Analysis} on the {Cutting} {Edge}: {New} {Methods} for {Trace} {Evidence} {Analysis}},\n\tpublisher = {Wiley-Interscience},\n\tauthor = {Laramée, J. A. and Cody, R. B. and Nilles, J. M. and Durst, H. D.},\n\teditor = {Blackledge, Robert D.},\n\tyear = {2007},\n\tnote = {00000},\n\tkeywords = {DART; forensic; trace; evidence; AccuTOF},\n}\n\n\n\n
\n
\n\n\n
\n Summary This chapter contains sections titled: Introduction Experimental Drug and Pharmaceutical Analysis Samples from the Human Body Condom Lubricants Dyes Explosives Arson Accelerants Chemical Warfare Agents Elevated-Temperature DART for Material Identification Glues Plastics Fibers Identification of Inks Conclusion Acknowledgments References\n
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\n \n\n \n \n \n \n \n Fundamental and application of the direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Kusai, A.\n\n\n \n\n\n\n Bunseki, 3: 124–127. 2007.\n 00002\n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kusai_fundamental_2007,\n\ttitle = {Fundamental and application of the direct analysis in real time mass spectrometry},\n\tvolume = {3},\n\tjournal = {Bunseki},\n\tauthor = {Kusai, A.},\n\tyear = {2007},\n\tnote = {00002},\n\tkeywords = {AccuTOF},\n\tpages = {124--127},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Direct mass spectrometric analysis of flavors and fragrances in real applications using DART.\n \n \n \n \n\n\n \n Haefliger, O. P.; and Jeckelmann, N.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 21(8): 1361–1366. 2007.\n 00106\n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{haefliger_direct_2007,\n\ttitle = {Direct mass spectrometric analysis of flavors and fragrances in real applications using {DART}},\n\tvolume = {21},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.2969},\n\tdoi = {10.1002/rcm.2969},\n\tabstract = {DART (Direct Analysis in Real Time) is an innovative technology to analyze complex solid samples at atmospheric pressure and ground potential by simply placing them between a DART ion source and a mass spectrometer. The analytes are ionized by a gun of neutral metastable species. The first examples of the application of DART to the analysis of flavor and fragrance raw materials in real, complex applications are reported here. A remarkably high potential of the technique is demonstrated. DART was applied to semi-quantitative analyses of perfumery raw materials deposited on smelling strips. In optimal cases, limits of detection around 100 pg were achieved. DART also allowed the assessment of the deposition and release of fragrance on surfaces such as fabric and hair. Finally, DART permitted the screening of twelve chewing gum samples for the possible presence of taste-refreshing compounds in less than 30 min. Copyright © 2007 John Wiley \\& Sons, Ltd.},\n\tnumber = {8},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Haefliger, Olivier P. and Jeckelmann, Nicolas},\n\tyear = {2007},\n\tnote = {00106},\n\tkeywords = {Thermo TSQ},\n\tpages = {1361--1366},\n}\n\n\n\n
\n
\n\n\n
\n DART (Direct Analysis in Real Time) is an innovative technology to analyze complex solid samples at atmospheric pressure and ground potential by simply placing them between a DART ion source and a mass spectrometer. The analytes are ionized by a gun of neutral metastable species. The first examples of the application of DART to the analysis of flavor and fragrance raw materials in real, complex applications are reported here. A remarkably high potential of the technique is demonstrated. DART was applied to semi-quantitative analyses of perfumery raw materials deposited on smelling strips. In optimal cases, limits of detection around 100 pg were achieved. DART also allowed the assessment of the deposition and release of fragrance on surfaces such as fabric and hair. Finally, DART permitted the screening of twelve chewing gum samples for the possible presence of taste-refreshing compounds in less than 30 min. Copyright © 2007 John Wiley & Sons, Ltd.\n
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\n \n\n \n \n \n \n \n Direct analysis for fragrance ingredients using DART-TOFMS.\n \n \n \n\n\n \n Saitoh, K.\n\n\n \n\n\n\n Aroma Research, 8(4): 366–369. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{saitoh_direct_2007,\n\ttitle = {Direct analysis for fragrance ingredients using {DART}-{TOFMS}},\n\tvolume = {8},\n\tnumber = {4},\n\tjournal = {Aroma Research},\n\tauthor = {Saitoh, K.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {366--369},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Analysis of Self-Assembled Monolayers on Gold Surfaces Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Kpegba, K.; Spadaro, T.; Cody, R. B.; Nesnas, N.; and Olson, J. A.\n\n\n \n\n\n\n Analytical Chemistry, 79(14): 5479–5483. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"AnalysisPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kpegba_analysis_2007,\n\ttitle = {Analysis of {Self}-{Assembled} {Monolayers} on {Gold} {Surfaces} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {79},\n\tissn = {0003-2700},\n\turl = {internal-pdf://Anal_Chem_2007_79_5479-5483-1150471455/Anal_Chem_2007_79_5479-5483.pdf},\n\tabstract = {Abstract: Mass spectrometry was performed on self-assembled monolayers (SAMs) of dodecanethiol on gold using the new direct analysis in real time (DART) ionization technique. Observed peaks for the SAMs included monomers, dimers, and trimers of the SAM molecules, with the dimer and trimer relative peak heights enhanced as compared to the spectra for neat dodecanethiol. The possibility that the observed peaks were due to residual (noncovalently bonded) material on the surface was tested by attempting to observe residual dodecanol. No peaks corresponding to dodecanol were observed. These results indicate that DART is an excellent ionization method for the direct and unambiguous mass analysis of chemical species in self-assembled monolayers.},\n\tnumber = {14},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Kpegba, K. and Spadaro, T. and Cody, R. B. and Nesnas, N. and Olson, J. A.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {5479--5483},\n}\n\n\n\n
\n
\n\n\n
\n Abstract: Mass spectrometry was performed on self-assembled monolayers (SAMs) of dodecanethiol on gold using the new direct analysis in real time (DART) ionization technique. Observed peaks for the SAMs included monomers, dimers, and trimers of the SAM molecules, with the dimer and trimer relative peak heights enhanced as compared to the spectra for neat dodecanethiol. The possibility that the observed peaks were due to residual (noncovalently bonded) material on the surface was tested by attempting to observe residual dodecanol. No peaks corresponding to dodecanol were observed. These results indicate that DART is an excellent ionization method for the direct and unambiguous mass analysis of chemical species in self-assembled monolayers.\n
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\n \n\n \n \n \n \n \n \n Guide to Direct Analysis in Real Time (DART) Ionization Source.\n \n \n \n \n\n\n \n Konuma, K.\n\n\n \n\n\n\n Farumarushi, 43(9): 903–905. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"GuidePaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{konuma_guide_2007,\n\ttitle = {Guide to {Direct} {Analysis} in {Real} {Time} ({DART}) {Ionization} {Source}},\n\tvolume = {43},\n\turl = {internal-pdf://Farumarushi_2007_43_903-905-1771138847/Farumarushi_2007_43_903-905.pdf},\n\tabstract = {AccuTOF},\n\tnumber = {9},\n\tjournal = {Farumarushi},\n\tauthor = {Konuma, K.},\n\tyear = {2007},\n\tpages = {903--905},\n}\n\n\n\n
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\n AccuTOF\n
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\n \n\n \n \n \n \n \n AccuTOF-DART Mass Spectrometry.\n \n \n \n\n\n \n Steiner, R.\n\n\n \n\n\n\n Technical Report Virginia Department of Forensic Science Controlled Substances Procedures Manual, Section 31, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@techreport{steiner_accutof-dart_2007,\n\ttitle = {{AccuTOF}-{DART} {Mass} {Spectrometry}},\n\tinstitution = {Virginia Department of Forensic Science Controlled Substances Procedures Manual, Section 31},\n\tauthor = {Steiner, R.R.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n Forensic Application of DART (Direct Analysis in Real Time) Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; Cody, R. B.; Nilles, J. M.; and Durst, H. D.\n\n\n \n\n\n\n In Blackledge, R. D., editor(s), Forensic Analysis on the Cutting Edge: New Methods for Trace Evidence Analysis. Wiley-Interscience, Hoboken, NJ, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@incollection{laramae_forensic_2007,\n\taddress = {Hoboken, NJ},\n\ttitle = {Forensic {Application} of {DART} ({Direct} {Analysis} in {Real} {Time}) {Mass} {Spectrometry}},\n\tisbn = {978-0-471-71644-0},\n\tbooktitle = {Forensic {Analysis} on the {Cutting} {Edge}: {New} {Methods} for {Trace} {Evidence} {Analysis}},\n\tpublisher = {Wiley-Interscience},\n\tauthor = {Laramée, J. A. and Cody, R. B. and Nilles, J. M. and Durst, H. D.},\n\teditor = {Blackledge, Robert D.},\n\tyear = {2007},\n\tkeywords = {AccuTOF, DART;, evidence;, forensic;, trace;},\n}\n\n\n\n
\n
\n\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Direct analysis for fragrance ingredients using DART-TOFMS.\n \n \n \n \n\n\n \n Saitoh, K.\n\n\n \n\n\n\n Aroma Research, 8(4): 366–369. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{saitoh_direct_2007,\n\ttitle = {Direct analysis for fragrance ingredients using {DART}-{TOFMS}},\n\tvolume = {8},\n\turl = {internal-pdf://Aroma_Research_2007_8_366-369-0278281759/Aroma_Research_2007_8_366-369.pdf},\n\tnumber = {4},\n\tjournal = {Aroma Research},\n\tauthor = {Saitoh, K.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {366--369},\n}\n\n\n\n
\n
\n\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Direct mass spectrometric analysis of flavors and fragrances in real applications using DART.\n \n \n \n \n\n\n \n Haefliger, O. P.; and Jeckelmann, N.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 21(8): 1361–1366. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{haefliger_direct_2007,\n\ttitle = {Direct mass spectrometric analysis of flavors and fragrances in real applications using {DART}},\n\tvolume = {21},\n\tissn = {1097-0231},\n\turl = {http://dx.doi.org/10.1002/rcm.2969},\n\tdoi = {10.1002/rcm.2969},\n\tabstract = {DART (Direct Analysis in Real Time) is an innovative technology to analyze complex solid samples at atmospheric pressure and ground potential by simply placing them between a DART ion source and a mass spectrometer. The analytes are ionized by a gun of neutral metastable species. The first examples of the application of DART to the analysis of flavor and fragrance raw materials in real, complex applications are reported here. A remarkably high potential of the technique is demonstrated. DART was applied to semi-quantitative analyses of perfumery raw materials deposited on smelling strips. In optimal cases, limits of detection around 100 pg were achieved. DART also allowed the assessment of the deposition and release of fragrance on surfaces such as fabric and hair. Finally, DART permitted the screening of twelve chewing gum samples for the possible presence of taste-refreshing compounds in less than 30 min. Copyright © 2007 John Wiley \\& Sons, Ltd.},\n\tnumber = {8},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Haefliger, Olivier P. and Jeckelmann, Nicolas},\n\tyear = {2007},\n\tkeywords = {TSQ, Thermo},\n\tpages = {1361--1366},\n}\n\n\n\n
\n
\n\n\n
\n DART (Direct Analysis in Real Time) is an innovative technology to analyze complex solid samples at atmospheric pressure and ground potential by simply placing them between a DART ion source and a mass spectrometer. The analytes are ionized by a gun of neutral metastable species. The first examples of the application of DART to the analysis of flavor and fragrance raw materials in real, complex applications are reported here. A remarkably high potential of the technique is demonstrated. DART was applied to semi-quantitative analyses of perfumery raw materials deposited on smelling strips. In optimal cases, limits of detection around 100 pg were achieved. DART also allowed the assessment of the deposition and release of fragrance on surfaces such as fabric and hair. Finally, DART permitted the screening of twelve chewing gum samples for the possible presence of taste-refreshing compounds in less than 30 min. Copyright © 2007 John Wiley & Sons, Ltd.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Comparison of the Novel Direct Analysis in Real Time Time-of-Flight Mass Spectrometry (AccuTOF-DARTâ„¢) and Signature Analysis for the Identification of Constituents of Refined Illicit Cocaine.\n \n \n \n \n\n\n \n Ropero-Miller, J. D. S.; Bynum, N. D; and Casale., J. F.\n\n\n \n\n\n\n Microgram Journal, 5(1-4): 5. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"ComparisonPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{ropero-miller_comparison_2007,\n\ttitle = {Comparison of the {Novel} {Direct} {Analysis} in {Real} {Time} {Time}-of-{Flight} {Mass} {Spectrometry} ({AccuTOF}-{DARTâ}„¢) and {Signature} {Analysis} for the {Identification} of {Constituents} of {Refined} {Illicit} {Cocaine}},\n\tvolume = {5},\n\turl = {internal-pdf://Microgram_Journal_2007_5_34-40-0949337375/Microgram_Journal_2007_5_34-40.pdf},\n\tabstract = {The characterization of 25 illicit cocaine samples by a novel application of direct analysis in real time (DART) sample introduction coupled with time-of-flight mass spectrometry (TOF-MS) and cocaine signature analyses is provided. The AccuTOF-DARTâ„¢ analysis of the cocaine samples resulted in the detection of most analytes, although some compounds were not detected. This new technique is easy, rapid, requires very little sample, and can be used to screen even complex mixtures. Potential applications, including use for signature analyses of controlled substances, are discussed.},\n\tnumber = {1-4},\n\tjournal = {Microgram Journal},\n\tauthor = {Ropero-Miller, Jeri D. Stout and Bynum, Nichole D and Casale., John F.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {5},\n}\n\n\n\n
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\n\n\n
\n The characterization of 25 illicit cocaine samples by a novel application of direct analysis in real time (DART) sample introduction coupled with time-of-flight mass spectrometry (TOF-MS) and cocaine signature analyses is provided. The AccuTOF-DARTâ„¢ analysis of the cocaine samples resulted in the detection of most analytes, although some compounds were not detected. This new technique is easy, rapid, requires very little sample, and can be used to screen even complex mixtures. Potential applications, including use for signature analyses of controlled substances, are discussed.\n
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\n \n\n \n \n \n \n \n \n Rapid and Unambiguous Identification of Melamine in Contaminated Pet Food Based on Mass Spectrometry with Four Degrees of Confirmation.\n \n \n \n \n\n\n \n Vail, T.; Jones, P. R.; and Sparkman, O. D. D.\n\n\n \n\n\n\n Journal of Analytical Toxicology, 31(6): 304–312. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vail_rapid_2007,\n\ttitle = {Rapid and {Unambiguous} {Identification} of {Melamine} in {Contaminated} {Pet} {Food} {Based} on {Mass} {Spectrometry} with {Four} {Degrees} of {Confirmation}},\n\tvolume = {31},\n\turl = {http://www.ingentaconnect.com/content/pres/jat/2007/00000031/00000006/art00002},\n\tabstract = {A method for analyzing pet food without sample processing is described for rapid identification of melamine based on mass spectrometry (MS) using soft ionization by direct analysis in real time (DART) to provide accurate measurement of mass and isotope-peak intensities, in-source collisionally activated dissociation (CAD) fragmentation, and determination of active hydrogens. Usually, MS analyses based on other than electron ionization (EI) spectra can be suspect because of the limited amount of information provided by a single mass spectral peak (or very few peaks). In such cases, additional degrees of confirmation are desirable to increase confidence in the experimental results. Chromatographic retention time can provide a degree of confidence; however, this requires time and, in some cases, detailed sample processing. Currently, the United States Food and Drug Administration uses a gas chromatography\\&ndash:EI-MS technique for the determination of melamine in pet food that involves sample extraction and derivatization prior to a lengthy chromatographic separation. In the method described here, identification is also confirmed through a determination of the number of active hydrogen atoms in the analyte molecule achieved by hydrogen/deuterium (H/D) exchange by treatment with deuterium oxide (D2O) at the initial stage of analysis. Cross-correlation of these four experimental data provides an unambiguous identification of melamine in contaminated pet food without the need for any sample preparation or chromatography. Limits of detection and the validity of the H/D exchange method as a confirmatory technique are also presented.},\n\tnumber = {6},\n\tjournal = {Journal of Analytical Toxicology},\n\tauthor = {Vail, Teresa and Jones, Patrick R. and Sparkman, O. David D.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {304--312},\n}\n\n\n\n
\n
\n\n\n
\n A method for analyzing pet food without sample processing is described for rapid identification of melamine based on mass spectrometry (MS) using soft ionization by direct analysis in real time (DART) to provide accurate measurement of mass and isotope-peak intensities, in-source collisionally activated dissociation (CAD) fragmentation, and determination of active hydrogens. Usually, MS analyses based on other than electron ionization (EI) spectra can be suspect because of the limited amount of information provided by a single mass spectral peak (or very few peaks). In such cases, additional degrees of confirmation are desirable to increase confidence in the experimental results. Chromatographic retention time can provide a degree of confidence; however, this requires time and, in some cases, detailed sample processing. Currently, the United States Food and Drug Administration uses a gas chromatography&ndash:EI-MS technique for the determination of melamine in pet food that involves sample extraction and derivatization prior to a lengthy chromatographic separation. In the method described here, identification is also confirmed through a determination of the number of active hydrogen atoms in the analyte molecule achieved by hydrogen/deuterium (H/D) exchange by treatment with deuterium oxide (D2O) at the initial stage of analysis. Cross-correlation of these four experimental data provides an unambiguous identification of melamine in contaminated pet food without the need for any sample preparation or chromatography. Limits of detection and the validity of the H/D exchange method as a confirmatory technique are also presented.\n
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\n \n\n \n \n \n \n \n Fundamental and application of the direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Kusai, A.\n\n\n \n\n\n\n Bunseki, 3: 124–127. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{kusai_fundamental_2007,\n\ttitle = {Fundamental and application of the direct analysis in real time mass spectrometry},\n\tvolume = {3},\n\tjournal = {Bunseki},\n\tauthor = {Kusai, A.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {124--127},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n New coupling of planar chromatography with direct analysis in real time mass spectrometry.\n \n \n \n\n\n \n Morlock, G.; and Ueda, Y.\n\n\n \n\n\n\n Journal of Chromatography A, 1143(1-2): 243–251. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{morlock_new_2007,\n\ttitle = {New coupling of planar chromatography with direct analysis in real time mass spectrometry},\n\tvolume = {1143},\n\tabstract = {The coupling of planar chromatography with direct analysis in real time time-of-flight mass spectrometry (DART-TOF-MS) was shown for the first time. Cutting the plate within a track led to substance zones positioned on the plate edge which were directly introduced into the DART gas stream. Mass signals were obtained instantaneously within seconds. Detectability was shown in the very low ng-range per zone on the example of isopropylthioxanthone. The coupling was perfectly suited for identification and qualitative purposes, but it was initially critical for quantification of results. Analytical response (R2 0.8202) and repeatability were strongly dependent from proper manual positioning of the HPTLC plate into the electronic or vibronic excited-state gas stream of the ion source. This drawback was overcome by using stable isotope-labeled standards shown on the example of caffeine. This way, analytical response (R2 0.9892) and repeatability (RSD {\\textbackslash}textless ±5.4\\%, n = 6) were improved to a high extent. Spatial resolution by an in-house-built plate holder system was shown to be better than 3 mm. The decay of the signal was observed. The efficacy of this new coupling was compared to a plunger-based extraction device for HPTLC/electrospray ionisation–MS. The latter device showed detectability down to the pg-range, e.g. the limit of quantification for isopropylthioxanthone was found to be 100 pg. Repeatability was comparable (RSD ± 6.7\\%), however, without the need of internal standard correction. Analytical response was slightly better and showed a determination coefficient R2 of 0.9983. Similar data were obtained for caffeine as well. Spatial resolution was 2 mm or 4 mm depending on the plunger head used. The comparison showed that HPTLC/DART-TOF-MS is a useful coupling method regarding qualitative aspects and it has the potential to cope also with the difficulties of quantification if isotope-labeled standards were used or if a plate holder system is employed as initially shown},\n\tnumber = {1-2},\n\tjournal = {Journal of Chromatography A},\n\tauthor = {Morlock, Gertrud and Ueda, Yoshihisa},\n\tyear = {2007},\n\tkeywords = {AccuTOF, DART;, HPTLC/DART-TOF-MS;, HPTLC/ESI-MS;, Planar, chromatography;},\n\tpages = {243--251},\n}\n\n\n\n
\n
\n\n\n
\n The coupling of planar chromatography with direct analysis in real time time-of-flight mass spectrometry (DART-TOF-MS) was shown for the first time. Cutting the plate within a track led to substance zones positioned on the plate edge which were directly introduced into the DART gas stream. Mass signals were obtained instantaneously within seconds. Detectability was shown in the very low ng-range per zone on the example of isopropylthioxanthone. The coupling was perfectly suited for identification and qualitative purposes, but it was initially critical for quantification of results. Analytical response (R2 0.8202) and repeatability were strongly dependent from proper manual positioning of the HPTLC plate into the electronic or vibronic excited-state gas stream of the ion source. This drawback was overcome by using stable isotope-labeled standards shown on the example of caffeine. This way, analytical response (R2 0.9892) and repeatability (RSD \\textless ±5.4%, n = 6) were improved to a high extent. Spatial resolution by an in-house-built plate holder system was shown to be better than 3 mm. The decay of the signal was observed. The efficacy of this new coupling was compared to a plunger-based extraction device for HPTLC/electrospray ionisation–MS. The latter device showed detectability down to the pg-range, e.g. the limit of quantification for isopropylthioxanthone was found to be 100 pg. Repeatability was comparable (RSD ± 6.7%), however, without the need of internal standard correction. Analytical response was slightly better and showed a determination coefficient R2 of 0.9983. Similar data were obtained for caffeine as well. Spatial resolution was 2 mm or 4 mm depending on the plunger head used. The comparison showed that HPTLC/DART-TOF-MS is a useful coupling method regarding qualitative aspects and it has the potential to cope also with the difficulties of quantification if isotope-labeled standards were used or if a plate holder system is employed as initially shown\n
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\n \n\n \n \n \n \n \n \n Direct Analysis in Real Time for Reaction Monitoring in Drug Discovery.\n \n \n \n \n\n\n \n Petucci, C.; Diffendal, J.; Kaufman, D.; Mekonnen, B.; Terefenko, G.; and Musselman, B.\n\n\n \n\n\n\n Analytical Chemistry, 79(13): 5064–5070. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"DirectPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{petucci_direct_2007,\n\ttitle = {Direct {Analysis} in {Real} {Time} for {Reaction} {Monitoring} in {Drug} {Discovery}},\n\tvolume = {79},\n\tissn = {0003-2700},\n\turl = {internal-pdf://Anal_Chem_2007_79_5064-5070-2308211743/Anal_Chem_2007_79_5064-5070.pdf},\n\tabstract = {Direct analysis in real time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. In this study, several commercially available drugs as well as actual compounds from drug discovery research were examined by LC/UV/ESI-MS and DART interfaced to a quadrupole mass spectrometer. For most compounds, the molecular ions observed by ESI-MS were observed by DART/MS. DART/MS was also studied as a means to quickly monitor synthetic organic reactions and to obtain nearly instantaneous molecular weight confirmations of final products in drug discovery. For simple, synthetic organic transformations, the trends in the intensities of the mass spectral signals for the reactant and product obtained by DART/MS scaled closely with those of the diode array or the total ion chromatogram obtained by LC/UV/ESI-MS. In summary, DART is a new tool that complements electrospray ionization for the rapid ionization and subsequent mass spectral analysis of compounds in drug discovery.},\n\tnumber = {13},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Petucci, C. and Diffendal, J. and Kaufman, D. and Mekonnen, B. and Terefenko, G. and Musselman, B.},\n\tyear = {2007},\n\tkeywords = {Quad, Waters},\n\tpages = {5064--5070},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is a novel ionization technique that provides for the rapid ionization of small molecules under ambient conditions. In this study, several commercially available drugs as well as actual compounds from drug discovery research were examined by LC/UV/ESI-MS and DART interfaced to a quadrupole mass spectrometer. For most compounds, the molecular ions observed by ESI-MS were observed by DART/MS. DART/MS was also studied as a means to quickly monitor synthetic organic reactions and to obtain nearly instantaneous molecular weight confirmations of final products in drug discovery. For simple, synthetic organic transformations, the trends in the intensities of the mass spectral signals for the reactant and product obtained by DART/MS scaled closely with those of the diode array or the total ion chromatogram obtained by LC/UV/ESI-MS. In summary, DART is a new tool that complements electrospray ionization for the rapid ionization and subsequent mass spectral analysis of compounds in drug discovery.\n
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\n \n\n \n \n \n \n \n Coupling Planar Chromatography with Time-of-Flight Mass Spectrometry Using an Open-Air Ion Source.\n \n \n \n\n\n \n Morlock, G.; and Ueda, Y.\n\n\n \n\n\n\n LCGC: The Peak,7–13. 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{morlock_coupling_2007,\n\ttitle = {Coupling {Planar} {Chromatography} with {Time}-of-{Flight} {Mass} {Spectrometry} {Using} an {Open}-{Air} {Ion} {Source}},\n\tjournal = {LCGC: The Peak},\n\tauthor = {Morlock, G. and Ueda, Y.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {7--13},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Ambient generation of fatty acid methyl ester ions from bacterial whole cells by direct analysis in real time (DART) mass spectrometry.\n \n \n \n \n\n\n \n Pierce, C. Y.; Barr, J. R.; Cody, R. B.; Massung, R. F.; Woolfitt, A. R.; Moura, H.; Thompson, H. A.; and Fernandez, F. M.\n\n\n \n\n\n\n Chemical Communications, (8): 807 – 809. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"AmbientPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{pierce_ambient_2007,\n\ttitle = {Ambient generation of fatty acid methyl ester ions from bacterial whole cells by direct analysis in real time ({DART}) mass spectrometry},\n\turl = {internal-pdf://Chem_Comm_2007_807-809-1888816415/Chem_Comm_2007_807-809.pdf},\n\tdoi = {10.1039/b613200f},\n\tabstract = {Direct analysis in real time (DART) is implemented on a time-of-flight (TOF) mass spectrometer, and used for the generation of fatty acid methyl esters (FAMEs) ions from whole bacterial cells.},\n\tnumber = {8},\n\tjournal = {Chemical Communications},\n\tauthor = {Pierce, Carrie Y. and Barr, John R. and Cody, Robert B. and Massung, Robert F. and Woolfitt, Adrian R. and Moura, Hercules and Thompson, Herbert A. and Fernandez, Facundo M.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {807 -- 809},\n}\n\n\n\n
\n
\n\n\n
\n Direct analysis in real time (DART) is implemented on a time-of-flight (TOF) mass spectrometer, and used for the generation of fatty acid methyl esters (FAMEs) ions from whole bacterial cells.\n
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\n \n\n \n \n \n \n \n Chemi-ionization and Direct Analysis in Real Time (DARTTM) Mass Spectrometry.\n \n \n \n\n\n \n Laramée, J. A.; and Cody, R. B.\n\n\n \n\n\n\n In Gross, M. L.; and Caprioli, R. M., editor(s), The Encyclopedia of Mass Spectrometry Volume 6: Ionization Methods, pages 377–387. Elsevier, Amsterdam, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@incollection{laramae_chemi-ionization_2007,\n\taddress = {Amsterdam},\n\ttitle = {Chemi-ionization and {Direct} {Analysis} in {Real} {Time} ({DARTTM}) {Mass} {Spectrometry}},\n\tisbn = {0-08-043801-6},\n\tbooktitle = {The {Encyclopedia} of {Mass} {Spectrometry} {Volume} 6: {Ionization} {Methods}},\n\tpublisher = {Elsevier},\n\tauthor = {Laramée, J. A. and Cody, R. B.},\n\teditor = {Gross, Michael L. and Caprioli, Richard M.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {377--387},\n}\n\n\n\n
\n
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\n \n\n \n \n \n \n \n AccuTOF-DART Mass Spectrometry.\n \n \n \n\n\n \n Steiner, R.\n\n\n \n\n\n\n Technical Report Virginia Department of Forensic Science Controlled Substances Procedures Manual, Section 31, 2007.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@techreport{steiner_accutof-dart_2007,\n\ttitle = {{AccuTOF}-{DART} {Mass} {Spectrometry}},\n\tinstitution = {Virginia Department of Forensic Science Controlled Substances Procedures Manual, Section 31},\n\tauthor = {Steiner, R.R.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Rapid and Unambiguous Identification of Melamine in Contaminated Pet Food Based on Mass Spectrometry with Four Degrees of Confirmation.\n \n \n \n \n\n\n \n Vail, T.; Jones, P. R.; and Sparkman, O. D. D.\n\n\n \n\n\n\n Journal of Analytical Toxicology, 31(6): 304–312. 2007.\n \n\n\n\n
\n\n\n\n \n \n \"RapidPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{vail_rapid_2007,\n\ttitle = {Rapid and {Unambiguous} {Identification} of {Melamine} in {Contaminated} {Pet} {Food} {Based} on {Mass} {Spectrometry} with {Four} {Degrees} of {Confirmation}},\n\tvolume = {31},\n\turl = {http://www.ingentaconnect.com/content/pres/jat/2007/00000031/00000006/art00002},\n\tabstract = {A method for analyzing pet food without sample processing is described for rapid identification of melamine based on mass spectrometry (MS) using soft ionization by direct analysis in real time (DART) to provide accurate measurement of mass and isotope-peak intensities, in-source collisionally activated dissociation (CAD) fragmentation, and determination of active hydrogens. Usually, MS analyses based on other than electron ionization (EI) spectra can be suspect because of the limited amount of information provided by a single mass spectral peak (or very few peaks). In such cases, additional degrees of confirmation are desirable to increase confidence in the experimental results. Chromatographic retention time can provide a degree of confidence; however, this requires time and, in some cases, detailed sample processing. Currently, the United States Food and Drug Administration uses a gas chromatography\\&ndash:EI-MS technique for the determination of melamine in pet food that involves sample extraction and derivatization prior to a lengthy chromatographic separation. In the method described here, identification is also confirmed through a determination of the number of active hydrogen atoms in the analyte molecule achieved by hydrogen/deuterium (H/D) exchange by treatment with deuterium oxide (D2O) at the initial stage of analysis. Cross-correlation of these four experimental data provides an unambiguous identification of melamine in contaminated pet food without the need for any sample preparation or chromatography. Limits of detection and the validity of the H/D exchange method as a confirmatory technique are also presented.},\n\tnumber = {6},\n\tjournal = {Journal of Analytical Toxicology},\n\tauthor = {Vail, Teresa and Jones, Patrick R. and Sparkman, O. David D.},\n\tyear = {2007},\n\tkeywords = {AccuTOF},\n\tpages = {304--312},\n}\n\n\n\n\n\n\n\n
\n
\n\n\n
\n A method for analyzing pet food without sample processing is described for rapid identification of melamine based on mass spectrometry (MS) using soft ionization by direct analysis in real time (DART) to provide accurate measurement of mass and isotope-peak intensities, in-source collisionally activated dissociation (CAD) fragmentation, and determination of active hydrogens. Usually, MS analyses based on other than electron ionization (EI) spectra can be suspect because of the limited amount of information provided by a single mass spectral peak (or very few peaks). In such cases, additional degrees of confirmation are desirable to increase confidence in the experimental results. Chromatographic retention time can provide a degree of confidence; however, this requires time and, in some cases, detailed sample processing. Currently, the United States Food and Drug Administration uses a gas chromatography&ndash:EI-MS technique for the determination of melamine in pet food that involves sample extraction and derivatization prior to a lengthy chromatographic separation. In the method described here, identification is also confirmed through a determination of the number of active hydrogen atoms in the analyte molecule achieved by hydrogen/deuterium (H/D) exchange by treatment with deuterium oxide (D2O) at the initial stage of analysis. Cross-correlation of these four experimental data provides an unambiguous identification of melamine in contaminated pet food without the need for any sample preparation or chromatography. Limits of detection and the validity of the H/D exchange method as a confirmatory technique are also presented.\n
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\n  \n 2006\n \n \n (36)\n \n \n
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\n \n\n \n \n \n \n \n \n Differentiating Writing Inks Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Jones, R. W.; Cody, R. B.; and McClelland, J. F.\n\n\n \n\n\n\n Journal of Forensic Sciences, 51(4): 915–918. 2006.\n \n\n\n\n
\n\n\n\n \n \n \"DifferentiatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{jones_differentiating_2006,\n\ttitle = {Differentiating {Writing} {Inks} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {51},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2006.00162.x},\n\tdoi = {10.1111/j.1556-4029.2006.00162.x},\n\tabstract = {ABSTRACT:  Writing ink analysis is used in establishing document authenticity and the sources and relative ages of written entries. Most analytical methods require removing samples or visibly altering the document. Nondestructive, in situ analysis of writing inks on paper without visible alteration is possible using mass spectrometry with a new ion source called Direct Analysis in Real Time. Forty-three different black and blue ballpoint, black fluid, and black gel inks were examined. Both dyes and persistent but thermally labile components of the inks contribute to the mass spectra, principally as protonated molecules [M+H]+. Numerous ink components were identified from the spectra. The spectra were placed in a searchable library, which was then challenged with two spectra from each of the 43 inks. The best match for each of the challenge spectra was correct for all but one ink, which matched with a very similar ink by the same manufacturer.},\n\tnumber = {4},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Jones, Roger W. and Cody, Robert B. and McClelland, John F.},\n\tyear = {2006},\n\tkeywords = {AccuTOF, forensic science, ink library, inks, mass spectrometry, questioned documents},\n\tpages = {915--918},\n}\n\n\n\n
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\n ABSTRACT: Writing ink analysis is used in establishing document authenticity and the sources and relative ages of written entries. Most analytical methods require removing samples or visibly altering the document. Nondestructive, in situ analysis of writing inks on paper without visible alteration is possible using mass spectrometry with a new ion source called Direct Analysis in Real Time. Forty-three different black and blue ballpoint, black fluid, and black gel inks were examined. Both dyes and persistent but thermally labile components of the inks contribute to the mass spectra, principally as protonated molecules [M+H]+. Numerous ink components were identified from the spectra. The spectra were placed in a searchable library, which was then challenged with two spectra from each of the 43 inks. The best match for each of the challenge spectra was correct for all but one ink, which matched with a very similar ink by the same manufacturer.\n
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\n \n\n \n \n \n \n \n Determination of isopropylthioxanthone (ITX) in milk, yoghurt and fat by HPTLC-FLD, HPTLC-ESI/MS and HPTLC-DART/MS.\n \n \n \n\n\n \n Morlock, G.; and Schwack, W.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 385(3): 586–595. 2006.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{morlock_determination_2006,\n\ttitle = {Determination of isopropylthioxanthone ({ITX}) in milk, yoghurt and fat by {HPTLC}-{FLD}, {HPTLC}-{ESI}/{MS} and {HPTLC}-{DART}/{MS}},\n\tvolume = {385},\n\tissn = {1618-2642 (PRINT) 1618-2650 (ONLINE)},\n\tdoi = {10.1007/s00216-006-0430-5},\n\tabstract = {Two new HPTLC methods for quantification of isopropyl-9H-thioxanthen-9-one (ITX) in milk, yoghurt and fat samples have been developed. Extraction of ITX from milk and yoghurt was performed with a mixture of cyclohexane and ethyl acetate by employment of accelerated solvent extraction (ASE). For soy bean oil and margarine, a simple partitioning of ITX into acetonitrile was used. ITX and 2,4-diethyl-9H-thioxanthen-9-one (DTX) used as internal standard have been separated on silica gel 60 HPTLC plates with a mixture of toluene and n-hexane (4:1, v/v) and on RP18 HPTLC plates with a mixture of acetonitrile and water (9:1, v/v). Development was performed anti-parallel from both plate sides leading to a throughput of 36 separations in 7 min. Fluorescence measurement at 254/{\\textgreater}400 nm was used for quantification. Limits of detection (S/N of 3) have been established to be 64 pg for ITX and DTX on both types of HPTLC plates. In fatty matrix (spiked butter) LOD of ITX was determined to be 1 μg kg−1. In the working range monitored (20–200 μg kg−1) polynomial regression of ITX showed a relative standard deviation (sdv) of ±1.51 \\% (r=0.99981). Starting with the limit of quantification the response was linear (sdv=±2.18 \\%, r=0.99893). Regarding repeatability (n=9) a coefficient of variation (CV) of 1.1 \\% was obtained for ITX at 32 ng on silica gel plates and of 2.9 \\% on reversed-phase plates. Repeatabilities (n=4) of ITX determination at 20, 50 and 100 μg kg−1 in milk, yoghurt, soybean oil and margarine showed CVs between ±1.0 and 6.4 \\%. The results prove that modern planar chromatography is a rapid and cost-efficient alternative method to quantify ITX in milk-based or fatty matrices. Only positive results are confirmed by online ESI/MS in the SIM mode (LOQ 128 pg) and by DART/MS involving a minimal employment of the MS device, which is a further advantage of HPTLC. Overall mean recovery rates of ITX at 20 or 50 and 100 μg kg−1 (n=8) were 41 \\% for milk, 70 \\% for yoghurt, 6 \\% for margarine and 12 \\% for soy bean oil. However, with the internal standard correction recoveries were about 130 \\% for milk and yoghurt and 70 and 97 \\% for margarine and soy bean oil, respectively.},\n\tnumber = {3},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Morlock, G. and Schwack, W.},\n\tyear = {2006},\n\tkeywords = {Planar chromatography; Isopropyl-9H-thioxanthen-9-one (ITX); 2,4-Diethyl-9H-thioxanthen-9-one (DTX); HPTLC-ESI/MS; HPTLC-DART/MS; AccuTOF},\n\tpages = {586--595},\n}\n\n\n\n
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\n Two new HPTLC methods for quantification of isopropyl-9H-thioxanthen-9-one (ITX) in milk, yoghurt and fat samples have been developed. Extraction of ITX from milk and yoghurt was performed with a mixture of cyclohexane and ethyl acetate by employment of accelerated solvent extraction (ASE). For soy bean oil and margarine, a simple partitioning of ITX into acetonitrile was used. ITX and 2,4-diethyl-9H-thioxanthen-9-one (DTX) used as internal standard have been separated on silica gel 60 HPTLC plates with a mixture of toluene and n-hexane (4:1, v/v) and on RP18 HPTLC plates with a mixture of acetonitrile and water (9:1, v/v). Development was performed anti-parallel from both plate sides leading to a throughput of 36 separations in 7 min. Fluorescence measurement at 254/\\textgreater400 nm was used for quantification. Limits of detection (S/N of 3) have been established to be 64 pg for ITX and DTX on both types of HPTLC plates. In fatty matrix (spiked butter) LOD of ITX was determined to be 1 μg kg−1. In the working range monitored (20–200 μg kg−1) polynomial regression of ITX showed a relative standard deviation (sdv) of ±1.51 % (r=0.99981). Starting with the limit of quantification the response was linear (sdv=±2.18 %, r=0.99893). Regarding repeatability (n=9) a coefficient of variation (CV) of 1.1 % was obtained for ITX at 32 ng on silica gel plates and of 2.9 % on reversed-phase plates. Repeatabilities (n=4) of ITX determination at 20, 50 and 100 μg kg−1 in milk, yoghurt, soybean oil and margarine showed CVs between ±1.0 and 6.4 %. The results prove that modern planar chromatography is a rapid and cost-efficient alternative method to quantify ITX in milk-based or fatty matrices. Only positive results are confirmed by online ESI/MS in the SIM mode (LOQ 128 pg) and by DART/MS involving a minimal employment of the MS device, which is a further advantage of HPTLC. Overall mean recovery rates of ITX at 20 or 50 and 100 μg kg−1 (n=8) were 41 % for milk, 70 % for yoghurt, 6 % for margarine and 12 % for soy bean oil. However, with the internal standard correction recoveries were about 130 % for milk and yoghurt and 70 and 97 % for margarine and soy bean oil, respectively.\n
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\n \n\n \n \n \n \n \n \n Characterization of Solid Counterfeit Drug Samples by Desorption Electrospray Ionization and Direct-analysis-in-real-time Coupled to Time-of-flight Mass Spectrometry.\n \n \n \n \n\n\n \n Fernández, F. M.; Cody, R. B; Green, M. D; Hampton, C. Y; McGready, R.; Sengaloundeth, S.; White, N. J; and Newton, P. N\n\n\n \n\n\n\n ChemMedChem, 1(7): 702–705. 2006.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{fernandez_characterization_2006,\n\ttitle = {Characterization of {Solid} {Counterfeit} {Drug} {Samples} by {Desorption} {Electrospray} {Ionization} and {Direct}-analysis-in-real-time {Coupled} to {Time}-of-flight {Mass} {Spectrometry}},\n\tvolume = {1},\n\tissn = {1860-7187},\n\turl = {http://onlinelibrary.wiley.com/doi/10.1002/cmdc.200600041/abstract},\n\tnumber = {7},\n\tjournal = {ChemMedChem},\n\tauthor = {Fernández, Facundo M. and Cody, Robert B and Green, Michael D and Hampton, Christina Y and McGready, Rose and Sengaloundeth, Sivong and White, Nicholas J and Newton, Paul N},\n\tyear = {2006},\n\tkeywords = {DART; DESI; AccuTOF},\n\tpages = {702--705},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n The use of recently described ionization techniques for the rapid analysis of some common drugs and samples of biological origin.\n \n \n \n\n\n \n Williams, J.; Patel, V.; Holland, R.; and Scrivens, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 20(9): 1447–1456. 2006.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{williams_use_2006,\n\ttitle = {The use of recently described ionization techniques for the rapid analysis of some common drugs and samples of biological origin},\n\tvolume = {20},\n\tdoi = {10.1002/rcm.2470},\n\tabstract = {Three ionisation techniques that require no sample preparation or extraction prior to mass analysis have been used for the rapid analysis of pharmaceutical tablets and ointments. These methods were (i) the novel direct analysis in real time (DART), (ii) desorption electrospray ionisation (DESI), and (iii) desorption atmospheric pressure chemical ionisation (DAPCI). The performance of the three techniques was investigated for a number of common drugs. Significant differences between these approaches were observed. For compounds of moderate to low polarity DAPCI produced more effective ionisation. Accurate DESI and DAPCI tandem mass spectra were obtained and these greatly enhance the selectivity and information content of the experiment. The detection from human skin of the active ingredients from ointments is reported together with the detection of ibuprofen metabolites in human urine.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Williams, J.P. and Patel, V.J. and Holland, R. and Scrivens, J.H.},\n\tyear = {2006},\n\tpages = {1447--1456},\n}\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n Three ionisation techniques that require no sample preparation or extraction prior to mass analysis have been used for the rapid analysis of pharmaceutical tablets and ointments. These methods were (i) the novel direct analysis in real time (DART), (ii) desorption electrospray ionisation (DESI), and (iii) desorption atmospheric pressure chemical ionisation (DAPCI). The performance of the three techniques was investigated for a number of common drugs. Significant differences between these approaches were observed. For compounds of moderate to low polarity DAPCI produced more effective ionisation. Accurate DESI and DAPCI tandem mass spectra were obtained and these greatly enhance the selectivity and information content of the experiment. The detection from human skin of the active ingredients from ointments is reported together with the detection of ibuprofen metabolites in human urine.\n
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\n \n\n \n \n \n \n \n \n Differentiating Writing Inks Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Jones, R. W.; Cody, R. B.; and McClelland, J. F.\n\n\n \n\n\n\n Journal of Forensic Sciences, 51(4): 915–918. 2006.\n \n\n\n\n
\n\n\n\n \n \n \"DifferentiatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{jones_differentiating_2006,\n\ttitle = {Differentiating {Writing} {Inks} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {51},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2006.00162.x},\n\tdoi = {10.1111/j.1556-4029.2006.00162.x},\n\tabstract = {ABSTRACT:  Writing ink analysis is used in establishing document authenticity and the sources and relative ages of written entries. Most analytical methods require removing samples or visibly altering the document. Nondestructive, in situ analysis of writing inks on paper without visible alteration is possible using mass spectrometry with a new ion source called Direct Analysis in Real Time. Forty-three different black and blue ballpoint, black fluid, and black gel inks were examined. Both dyes and persistent but thermally labile components of the inks contribute to the mass spectra, principally as protonated molecules [M+H]+. Numerous ink components were identified from the spectra. The spectra were placed in a searchable library, which was then challenged with two spectra from each of the 43 inks. The best match for each of the challenge spectra was correct for all but one ink, which matched with a very similar ink by the same manufacturer.},\n\tnumber = {4},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Jones, Roger W. and Cody, Robert B. and McClelland, John F.},\n\tyear = {2006},\n\tkeywords = {AccuTOF, forensic science, ink library, inks, mass spectrometry, questioned documents},\n\tpages = {915--918},\n}\n\n\n\n
\n
\n\n\n
\n ABSTRACT: Writing ink analysis is used in establishing document authenticity and the sources and relative ages of written entries. Most analytical methods require removing samples or visibly altering the document. Nondestructive, in situ analysis of writing inks on paper without visible alteration is possible using mass spectrometry with a new ion source called Direct Analysis in Real Time. Forty-three different black and blue ballpoint, black fluid, and black gel inks were examined. Both dyes and persistent but thermally labile components of the inks contribute to the mass spectra, principally as protonated molecules [M+H]+. Numerous ink components were identified from the spectra. The spectra were placed in a searchable library, which was then challenged with two spectra from each of the 43 inks. The best match for each of the challenge spectra was correct for all but one ink, which matched with a very similar ink by the same manufacturer.\n
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\n \n\n \n \n \n \n \n Determination of isopropylthioxanthone (ITX) in milk, yoghurt and fat by HPTLC-FLD, HPTLC-ESI/MS and HPTLC-DART/MS.\n \n \n \n\n\n \n Morlock, G.; and Schwack, W.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 385(3): 586–595. 2006.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{morlock_determination_2006,\n\ttitle = {Determination of isopropylthioxanthone ({ITX}) in milk, yoghurt and fat by {HPTLC}-{FLD}, {HPTLC}-{ESI}/{MS} and {HPTLC}-{DART}/{MS}},\n\tvolume = {385},\n\tissn = {1618-2642 (PRINT) 1618-2650 (ONLINE)},\n\tdoi = {10.1007/s00216-006-0430-5},\n\tabstract = {Two new HPTLC methods for quantification of isopropyl-9H-thioxanthen-9-one (ITX) in milk, yoghurt and fat samples have been developed. Extraction of ITX from milk and yoghurt was performed with a mixture of cyclohexane and ethyl acetate by employment of accelerated solvent extraction (ASE). For soy bean oil and margarine, a simple partitioning of ITX into acetonitrile was used. ITX and 2,4-diethyl-9H-thioxanthen-9-one (DTX) used as internal standard have been separated on silica gel 60 HPTLC plates with a mixture of toluene and n-hexane (4:1, v/v) and on RP18 HPTLC plates with a mixture of acetonitrile and water (9:1, v/v). Development was performed anti-parallel from both plate sides leading to a throughput of 36 separations in 7 min. Fluorescence measurement at 254/{\\textgreater}400 nm was used for quantification. Limits of detection (S/N of 3) have been established to be 64 pg for ITX and DTX on both types of HPTLC plates. In fatty matrix (spiked butter) LOD of ITX was determined to be 1 μg kg−1. In the working range monitored (20–200 μg kg−1) polynomial regression of ITX showed a relative standard deviation (sdv) of ±1.51 \\% (r=0.99981). Starting with the limit of quantification the response was linear (sdv=±2.18 \\%, r=0.99893). Regarding repeatability (n=9) a coefficient of variation (CV) of 1.1 \\% was obtained for ITX at 32 ng on silica gel plates and of 2.9 \\% on reversed-phase plates. Repeatabilities (n=4) of ITX determination at 20, 50 and 100 μg kg−1 in milk, yoghurt, soybean oil and margarine showed CVs between ±1.0 and 6.4 \\%. The results prove that modern planar chromatography is a rapid and cost-efficient alternative method to quantify ITX in milk-based or fatty matrices. Only positive results are confirmed by online ESI/MS in the SIM mode (LOQ 128 pg) and by DART/MS involving a minimal employment of the MS device, which is a further advantage of HPTLC. Overall mean recovery rates of ITX at 20 or 50 and 100 μg kg−1 (n=8) were 41 \\% for milk, 70 \\% for yoghurt, 6 \\% for margarine and 12 \\% for soy bean oil. However, with the internal standard correction recoveries were about 130 \\% for milk and yoghurt and 70 and 97 \\% for margarine and soy bean oil, respectively.},\n\tnumber = {3},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Morlock, G. and Schwack, W.},\n\tyear = {2006},\n\tkeywords = {Planar chromatography; Isopropyl-9H-thioxanthen-9-one (ITX); 2,4-Diethyl-9H-thioxanthen-9-one (DTX); HPTLC-ESI/MS; HPTLC-DART/MS; AccuTOF},\n\tpages = {586--595},\n}\n\n\n\n
\n
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\n Two new HPTLC methods for quantification of isopropyl-9H-thioxanthen-9-one (ITX) in milk, yoghurt and fat samples have been developed. Extraction of ITX from milk and yoghurt was performed with a mixture of cyclohexane and ethyl acetate by employment of accelerated solvent extraction (ASE). For soy bean oil and margarine, a simple partitioning of ITX into acetonitrile was used. ITX and 2,4-diethyl-9H-thioxanthen-9-one (DTX) used as internal standard have been separated on silica gel 60 HPTLC plates with a mixture of toluene and n-hexane (4:1, v/v) and on RP18 HPTLC plates with a mixture of acetonitrile and water (9:1, v/v). Development was performed anti-parallel from both plate sides leading to a throughput of 36 separations in 7 min. Fluorescence measurement at 254/\\textgreater400 nm was used for quantification. Limits of detection (S/N of 3) have been established to be 64 pg for ITX and DTX on both types of HPTLC plates. In fatty matrix (spiked butter) LOD of ITX was determined to be 1 μg kg−1. In the working range monitored (20–200 μg kg−1) polynomial regression of ITX showed a relative standard deviation (sdv) of ±1.51 % (r=0.99981). Starting with the limit of quantification the response was linear (sdv=±2.18 %, r=0.99893). Regarding repeatability (n=9) a coefficient of variation (CV) of 1.1 % was obtained for ITX at 32 ng on silica gel plates and of 2.9 % on reversed-phase plates. Repeatabilities (n=4) of ITX determination at 20, 50 and 100 μg kg−1 in milk, yoghurt, soybean oil and margarine showed CVs between ±1.0 and 6.4 %. The results prove that modern planar chromatography is a rapid and cost-efficient alternative method to quantify ITX in milk-based or fatty matrices. Only positive results are confirmed by online ESI/MS in the SIM mode (LOQ 128 pg) and by DART/MS involving a minimal employment of the MS device, which is a further advantage of HPTLC. Overall mean recovery rates of ITX at 20 or 50 and 100 μg kg−1 (n=8) were 41 % for milk, 70 % for yoghurt, 6 % for margarine and 12 % for soy bean oil. However, with the internal standard correction recoveries were about 130 % for milk and yoghurt and 70 and 97 % for margarine and soy bean oil, respectively.\n
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\n \n\n \n \n \n \n \n \n Characterization of Solid Counterfeit Drug Samples by Desorption Electrospray Ionization and Direct-analysis-in-real-time Coupled to Time-of-flight Mass Spectrometry.\n \n \n \n \n\n\n \n Fernández, F. M.; Cody, R. B; Green, M. D; Hampton, C. Y; McGready, R.; Sengaloundeth, S.; White, N. J; and Newton, P. N\n\n\n \n\n\n\n ChemMedChem, 1(7): 702–705. 2006.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{fernandez_characterization_2006,\n\ttitle = {Characterization of {Solid} {Counterfeit} {Drug} {Samples} by {Desorption} {Electrospray} {Ionization} and {Direct}-analysis-in-real-time {Coupled} to {Time}-of-flight {Mass} {Spectrometry}},\n\tvolume = {1},\n\tissn = {1860-7187},\n\turl = {http://onlinelibrary.wiley.com/doi/10.1002/cmdc.200600041/abstract},\n\tnumber = {7},\n\tjournal = {ChemMedChem},\n\tauthor = {Fernández, Facundo M. and Cody, Robert B and Green, Michael D and Hampton, Christina Y and McGready, Rose and Sengaloundeth, Sivong and White, Nicholas J and Newton, Paul N},\n\tyear = {2006},\n\tkeywords = {DART; DESI; AccuTOF},\n\tpages = {702--705},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n The use of recently described ionization techniques for the rapid analysis of some common drugs and samples of biological origin.\n \n \n \n\n\n \n Williams, J.; Patel, V.; Holland, R.; and Scrivens, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 20(9): 1447–1456. 2006.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{williams_use_2006,\n\ttitle = {The use of recently described ionization techniques for the rapid analysis of some common drugs and samples of biological origin},\n\tvolume = {20},\n\tdoi = {10.1002/rcm.2470},\n\tabstract = {Three ionisation techniques that require no sample preparation or extraction prior to mass analysis have been used for the rapid analysis of pharmaceutical tablets and ointments. These methods were (i) the novel direct analysis in real time (DART), (ii) desorption electrospray ionisation (DESI), and (iii) desorption atmospheric pressure chemical ionisation (DAPCI). The performance of the three techniques was investigated for a number of common drugs. Significant differences between these approaches were observed. For compounds of moderate to low polarity DAPCI produced more effective ionisation. Accurate DESI and DAPCI tandem mass spectra were obtained and these greatly enhance the selectivity and information content of the experiment. The detection from human skin of the active ingredients from ointments is reported together with the detection of ibuprofen metabolites in human urine.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Williams, J.P. and Patel, V.J. and Holland, R. and Scrivens, J.H.},\n\tyear = {2006},\n\tpages = {1447--1456},\n}\n\n\n\n
\n
\n\n\n
\n Three ionisation techniques that require no sample preparation or extraction prior to mass analysis have been used for the rapid analysis of pharmaceutical tablets and ointments. These methods were (i) the novel direct analysis in real time (DART), (ii) desorption electrospray ionisation (DESI), and (iii) desorption atmospheric pressure chemical ionisation (DAPCI). The performance of the three techniques was investigated for a number of common drugs. Significant differences between these approaches were observed. For compounds of moderate to low polarity DAPCI produced more effective ionisation. Accurate DESI and DAPCI tandem mass spectra were obtained and these greatly enhance the selectivity and information content of the experiment. The detection from human skin of the active ingredients from ointments is reported together with the detection of ibuprofen metabolites in human urine.\n
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\n\n\n
\n \n\n \n \n \n \n \n \n Differentiating Writing Inks Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Jones, R. W.; Cody, R. B.; and McClelland, J. F.\n\n\n \n\n\n\n Journal of Forensic Sciences, 51(4): 915–918. 2006.\n \n\n\n\n
\n\n\n\n \n \n \"DifferentiatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{jones_differentiating_2006,\n\ttitle = {Differentiating {Writing} {Inks} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {51},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2006.00162.x},\n\tdoi = {10.1111/j.1556-4029.2006.00162.x},\n\tabstract = {ABSTRACT:  Writing ink analysis is used in establishing document authenticity and the sources and relative ages of written entries. Most analytical methods require removing samples or visibly altering the document. Nondestructive, in situ analysis of writing inks on paper without visible alteration is possible using mass spectrometry with a new ion source called Direct Analysis in Real Time. Forty-three different black and blue ballpoint, black fluid, and black gel inks were examined. Both dyes and persistent but thermally labile components of the inks contribute to the mass spectra, principally as protonated molecules [M+H]+. Numerous ink components were identified from the spectra. The spectra were placed in a searchable library, which was then challenged with two spectra from each of the 43 inks. The best match for each of the challenge spectra was correct for all but one ink, which matched with a very similar ink by the same manufacturer.},\n\tnumber = {4},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Jones, Roger W. and Cody, Robert B. and McClelland, John F.},\n\tyear = {2006},\n\tkeywords = {AccuTOF, forensic science, ink library, inks, mass spectrometry, questioned documents},\n\tpages = {915--918},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
\n
\n\n\n
\n ABSTRACT: Writing ink analysis is used in establishing document authenticity and the sources and relative ages of written entries. Most analytical methods require removing samples or visibly altering the document. Nondestructive, in situ analysis of writing inks on paper without visible alteration is possible using mass spectrometry with a new ion source called Direct Analysis in Real Time. Forty-three different black and blue ballpoint, black fluid, and black gel inks were examined. Both dyes and persistent but thermally labile components of the inks contribute to the mass spectra, principally as protonated molecules [M+H]+. Numerous ink components were identified from the spectra. The spectra were placed in a searchable library, which was then challenged with two spectra from each of the 43 inks. The best match for each of the challenge spectra was correct for all but one ink, which matched with a very similar ink by the same manufacturer.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n Determination of isopropylthioxanthone (ITX) in milk, yoghurt and fat by HPTLC-FLD, HPTLC-ESI/MS and HPTLC-DART/MS.\n \n \n \n\n\n \n Morlock, G.; and Schwack, W.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 385(3): 586–595. 2006.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{morlock_determination_2006,\n\ttitle = {Determination of isopropylthioxanthone ({ITX}) in milk, yoghurt and fat by {HPTLC}-{FLD}, {HPTLC}-{ESI}/{MS} and {HPTLC}-{DART}/{MS}},\n\tvolume = {385},\n\tissn = {1618-2642 (PRINT) 1618-2650 (ONLINE)},\n\tdoi = {10.1007/s00216-006-0430-5},\n\tabstract = {Two new HPTLC methods for quantification of isopropyl-9H-thioxanthen-9-one (ITX) in milk, yoghurt and fat samples have been developed. Extraction of ITX from milk and yoghurt was performed with a mixture of cyclohexane and ethyl acetate by employment of accelerated solvent extraction (ASE). For soy bean oil and margarine, a simple partitioning of ITX into acetonitrile was used. ITX and 2,4-diethyl-9H-thioxanthen-9-one (DTX) used as internal standard have been separated on silica gel 60 HPTLC plates with a mixture of toluene and n-hexane (4:1, v/v) and on RP18 HPTLC plates with a mixture of acetonitrile and water (9:1, v/v). Development was performed anti-parallel from both plate sides leading to a throughput of 36 separations in 7 min. Fluorescence measurement at 254/{\\textgreater}400 nm was used for quantification. Limits of detection (S/N of 3) have been established to be 64 pg for ITX and DTX on both types of HPTLC plates. In fatty matrix (spiked butter) LOD of ITX was determined to be 1 μg kg−1. In the working range monitored (20–200 μg kg−1) polynomial regression of ITX showed a relative standard deviation (sdv) of ±1.51 \\% (r=0.99981). Starting with the limit of quantification the response was linear (sdv=±2.18 \\%, r=0.99893). Regarding repeatability (n=9) a coefficient of variation (CV) of 1.1 \\% was obtained for ITX at 32 ng on silica gel plates and of 2.9 \\% on reversed-phase plates. Repeatabilities (n=4) of ITX determination at 20, 50 and 100 μg kg−1 in milk, yoghurt, soybean oil and margarine showed CVs between ±1.0 and 6.4 \\%. The results prove that modern planar chromatography is a rapid and cost-efficient alternative method to quantify ITX in milk-based or fatty matrices. Only positive results are confirmed by online ESI/MS in the SIM mode (LOQ 128 pg) and by DART/MS involving a minimal employment of the MS device, which is a further advantage of HPTLC. Overall mean recovery rates of ITX at 20 or 50 and 100 μg kg−1 (n=8) were 41 \\% for milk, 70 \\% for yoghurt, 6 \\% for margarine and 12 \\% for soy bean oil. However, with the internal standard correction recoveries were about 130 \\% for milk and yoghurt and 70 and 97 \\% for margarine and soy bean oil, respectively.},\n\tnumber = {3},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Morlock, G. and Schwack, W.},\n\tyear = {2006},\n\tkeywords = {Planar chromatography; Isopropyl-9H-thioxanthen-9-one (ITX); 2,4-Diethyl-9H-thioxanthen-9-one (DTX); HPTLC-ESI/MS; HPTLC-DART/MS; AccuTOF},\n\tpages = {586--595},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Two new HPTLC methods for quantification of isopropyl-9H-thioxanthen-9-one (ITX) in milk, yoghurt and fat samples have been developed. Extraction of ITX from milk and yoghurt was performed with a mixture of cyclohexane and ethyl acetate by employment of accelerated solvent extraction (ASE). For soy bean oil and margarine, a simple partitioning of ITX into acetonitrile was used. ITX and 2,4-diethyl-9H-thioxanthen-9-one (DTX) used as internal standard have been separated on silica gel 60 HPTLC plates with a mixture of toluene and n-hexane (4:1, v/v) and on RP18 HPTLC plates with a mixture of acetonitrile and water (9:1, v/v). Development was performed anti-parallel from both plate sides leading to a throughput of 36 separations in 7 min. Fluorescence measurement at 254/\\textgreater400 nm was used for quantification. Limits of detection (S/N of 3) have been established to be 64 pg for ITX and DTX on both types of HPTLC plates. In fatty matrix (spiked butter) LOD of ITX was determined to be 1 μg kg−1. In the working range monitored (20–200 μg kg−1) polynomial regression of ITX showed a relative standard deviation (sdv) of ±1.51 % (r=0.99981). Starting with the limit of quantification the response was linear (sdv=±2.18 %, r=0.99893). Regarding repeatability (n=9) a coefficient of variation (CV) of 1.1 % was obtained for ITX at 32 ng on silica gel plates and of 2.9 % on reversed-phase plates. Repeatabilities (n=4) of ITX determination at 20, 50 and 100 μg kg−1 in milk, yoghurt, soybean oil and margarine showed CVs between ±1.0 and 6.4 %. The results prove that modern planar chromatography is a rapid and cost-efficient alternative method to quantify ITX in milk-based or fatty matrices. Only positive results are confirmed by online ESI/MS in the SIM mode (LOQ 128 pg) and by DART/MS involving a minimal employment of the MS device, which is a further advantage of HPTLC. Overall mean recovery rates of ITX at 20 or 50 and 100 μg kg−1 (n=8) were 41 % for milk, 70 % for yoghurt, 6 % for margarine and 12 % for soy bean oil. However, with the internal standard correction recoveries were about 130 % for milk and yoghurt and 70 and 97 % for margarine and soy bean oil, respectively.\n
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\n \n\n \n \n \n \n \n \n Characterization of Solid Counterfeit Drug Samples by Desorption Electrospray Ionization and Direct-analysis-in-real-time Coupled to Time-of-flight Mass Spectrometry.\n \n \n \n \n\n\n \n Fernández, F. M.; Cody, R. B; Green, M. D; Hampton, C. Y; McGready, R.; Sengaloundeth, S.; White, N. J; and Newton, P. N\n\n\n \n\n\n\n ChemMedChem, 1(7): 702–705. 2006.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{fernandez_characterization_2006,\n\ttitle = {Characterization of {Solid} {Counterfeit} {Drug} {Samples} by {Desorption} {Electrospray} {Ionization} and {Direct}-analysis-in-real-time {Coupled} to {Time}-of-flight {Mass} {Spectrometry}},\n\tvolume = {1},\n\tissn = {1860-7187},\n\turl = {http://onlinelibrary.wiley.com/doi/10.1002/cmdc.200600041/abstract},\n\tnumber = {7},\n\tjournal = {ChemMedChem},\n\tauthor = {Fernández, Facundo M. and Cody, Robert B and Green, Michael D and Hampton, Christina Y and McGready, Rose and Sengaloundeth, Sivong and White, Nicholas J and Newton, Paul N},\n\tyear = {2006},\n\tkeywords = {DART; DESI; AccuTOF},\n\tpages = {702--705},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n The use of recently described ionization techniques for the rapid analysis of some common drugs and samples of biological origin.\n \n \n \n\n\n \n Williams, J.; Patel, V.; Holland, R.; and Scrivens, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 20(9): 1447–1456. 2006.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{williams_use_2006,\n\ttitle = {The use of recently described ionization techniques for the rapid analysis of some common drugs and samples of biological origin},\n\tvolume = {20},\n\tdoi = {10.1002/rcm.2470},\n\tabstract = {Three ionisation techniques that require no sample preparation or extraction prior to mass analysis have been used for the rapid analysis of pharmaceutical tablets and ointments. These methods were (i) the novel direct analysis in real time (DART), (ii) desorption electrospray ionisation (DESI), and (iii) desorption atmospheric pressure chemical ionisation (DAPCI). The performance of the three techniques was investigated for a number of common drugs. Significant differences between these approaches were observed. For compounds of moderate to low polarity DAPCI produced more effective ionisation. Accurate DESI and DAPCI tandem mass spectra were obtained and these greatly enhance the selectivity and information content of the experiment. The detection from human skin of the active ingredients from ointments is reported together with the detection of ibuprofen metabolites in human urine.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Williams, J.P. and Patel, V.J. and Holland, R. and Scrivens, J.H.},\n\tyear = {2006},\n\tpages = {1447--1456},\n}\n\n\n\n
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\n Three ionisation techniques that require no sample preparation or extraction prior to mass analysis have been used for the rapid analysis of pharmaceutical tablets and ointments. These methods were (i) the novel direct analysis in real time (DART), (ii) desorption electrospray ionisation (DESI), and (iii) desorption atmospheric pressure chemical ionisation (DAPCI). The performance of the three techniques was investigated for a number of common drugs. Significant differences between these approaches were observed. For compounds of moderate to low polarity DAPCI produced more effective ionisation. Accurate DESI and DAPCI tandem mass spectra were obtained and these greatly enhance the selectivity and information content of the experiment. The detection from human skin of the active ingredients from ointments is reported together with the detection of ibuprofen metabolites in human urine.\n
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\n \n\n \n \n \n \n \n \n Differentiating Writing Inks Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Jones, R. W.; Cody, R. B.; and McClelland, J. F.\n\n\n \n\n\n\n Journal of Forensic Sciences, 51(4): 915–918. 2006.\n \n\n\n\n
\n\n\n\n \n \n \"DifferentiatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{jones_differentiating_2006,\n\ttitle = {Differentiating {Writing} {Inks} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {51},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2006.00162.x},\n\tdoi = {10.1111/j.1556-4029.2006.00162.x},\n\tabstract = {ABSTRACT:  Writing ink analysis is used in establishing document authenticity and the sources and relative ages of written entries. Most analytical methods require removing samples or visibly altering the document. Nondestructive, in situ analysis of writing inks on paper without visible alteration is possible using mass spectrometry with a new ion source called Direct Analysis in Real Time. Forty-three different black and blue ballpoint, black fluid, and black gel inks were examined. Both dyes and persistent but thermally labile components of the inks contribute to the mass spectra, principally as protonated molecules [M+H]+. Numerous ink components were identified from the spectra. The spectra were placed in a searchable library, which was then challenged with two spectra from each of the 43 inks. The best match for each of the challenge spectra was correct for all but one ink, which matched with a very similar ink by the same manufacturer.},\n\tnumber = {4},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Jones, Roger W. and Cody, Robert B. and McClelland, John F.},\n\tyear = {2006},\n\tkeywords = {AccuTOF, forensic science, ink library, inks, mass spectrometry, questioned documents},\n\tpages = {915--918},\n}\n\n\n\n
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\n ABSTRACT: Writing ink analysis is used in establishing document authenticity and the sources and relative ages of written entries. Most analytical methods require removing samples or visibly altering the document. Nondestructive, in situ analysis of writing inks on paper without visible alteration is possible using mass spectrometry with a new ion source called Direct Analysis in Real Time. Forty-three different black and blue ballpoint, black fluid, and black gel inks were examined. Both dyes and persistent but thermally labile components of the inks contribute to the mass spectra, principally as protonated molecules [M+H]+. Numerous ink components were identified from the spectra. The spectra were placed in a searchable library, which was then challenged with two spectra from each of the 43 inks. The best match for each of the challenge spectra was correct for all but one ink, which matched with a very similar ink by the same manufacturer.\n
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\n \n\n \n \n \n \n \n The use of recently described ionization techniques for the rapid analysis of some common drugs and samples of biological origin.\n \n \n \n\n\n \n Williams, J.; Patel, V.; Holland, R.; and Scrivens, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 20(9): 1447–1456. 2006.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{williams_use_2006,\n\ttitle = {The use of recently described ionization techniques for the rapid analysis of some common drugs and samples of biological origin},\n\tvolume = {20},\n\tdoi = {10.1002/rcm.2470},\n\tabstract = {Three ionisation techniques that require no sample preparation or extraction prior to mass analysis have been used for the rapid analysis of pharmaceutical tablets and ointments. These methods were (i) the novel direct analysis in real time (DART), (ii) desorption electrospray ionisation (DESI), and (iii) desorption atmospheric pressure chemical ionisation (DAPCI). The performance of the three techniques was investigated for a number of common drugs. Significant differences between these approaches were observed. For compounds of moderate to low polarity DAPCI produced more effective ionisation. Accurate DESI and DAPCI tandem mass spectra were obtained and these greatly enhance the selectivity and information content of the experiment. The detection from human skin of the active ingredients from ointments is reported together with the detection of ibuprofen metabolites in human urine.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Williams, J.P. and Patel, V.J. and Holland, R. and Scrivens, J.H.},\n\tyear = {2006},\n\tpages = {1447--1456},\n}\n\n\n\n
\n
\n\n\n
\n Three ionisation techniques that require no sample preparation or extraction prior to mass analysis have been used for the rapid analysis of pharmaceutical tablets and ointments. These methods were (i) the novel direct analysis in real time (DART), (ii) desorption electrospray ionisation (DESI), and (iii) desorption atmospheric pressure chemical ionisation (DAPCI). The performance of the three techniques was investigated for a number of common drugs. Significant differences between these approaches were observed. For compounds of moderate to low polarity DAPCI produced more effective ionisation. Accurate DESI and DAPCI tandem mass spectra were obtained and these greatly enhance the selectivity and information content of the experiment. The detection from human skin of the active ingredients from ointments is reported together with the detection of ibuprofen metabolites in human urine.\n
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\n \n\n \n \n \n \n \n Determination of isopropylthioxanthone (ITX) in milk, yoghurt and fat by HPTLC-FLD, HPTLC-ESI/MS and HPTLC-DART/MS.\n \n \n \n\n\n \n Morlock, G.; and Schwack, W.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 385(3): 586–595. 2006.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{morlock_determination_2006,\n\ttitle = {Determination of isopropylthioxanthone ({ITX}) in milk, yoghurt and fat by {HPTLC}-{FLD}, {HPTLC}-{ESI}/{MS} and {HPTLC}-{DART}/{MS}},\n\tvolume = {385},\n\tissn = {1618-2642 (PRINT) 1618-2650 (ONLINE)},\n\tdoi = {10.1007/s00216-006-0430-5},\n\tabstract = {Two new HPTLC methods for quantification of isopropyl-9H-thioxanthen-9-one (ITX) in milk, yoghurt and fat samples have been developed. Extraction of ITX from milk and yoghurt was performed with a mixture of cyclohexane and ethyl acetate by employment of accelerated solvent extraction (ASE). For soy bean oil and margarine, a simple partitioning of ITX into acetonitrile was used. ITX and 2,4-diethyl-9H-thioxanthen-9-one (DTX) used as internal standard have been separated on silica gel 60 HPTLC plates with a mixture of toluene and n-hexane (4:1, v/v) and on RP18 HPTLC plates with a mixture of acetonitrile and water (9:1, v/v). Development was performed anti-parallel from both plate sides leading to a throughput of 36 separations in 7 min. Fluorescence measurement at 254/{\\textgreater}400 nm was used for quantification. Limits of detection (S/N of 3) have been established to be 64 pg for ITX and DTX on both types of HPTLC plates. In fatty matrix (spiked butter) LOD of ITX was determined to be 1 μg kg−1. In the working range monitored (20–200 μg kg−1) polynomial regression of ITX showed a relative standard deviation (sdv) of ±1.51 \\% (r=0.99981). Starting with the limit of quantification the response was linear (sdv=±2.18 \\%, r=0.99893). Regarding repeatability (n=9) a coefficient of variation (CV) of 1.1 \\% was obtained for ITX at 32 ng on silica gel plates and of 2.9 \\% on reversed-phase plates. Repeatabilities (n=4) of ITX determination at 20, 50 and 100 μg kg−1 in milk, yoghurt, soybean oil and margarine showed CVs between ±1.0 and 6.4 \\%. The results prove that modern planar chromatography is a rapid and cost-efficient alternative method to quantify ITX in milk-based or fatty matrices. Only positive results are confirmed by online ESI/MS in the SIM mode (LOQ 128 pg) and by DART/MS involving a minimal employment of the MS device, which is a further advantage of HPTLC. Overall mean recovery rates of ITX at 20 or 50 and 100 μg kg−1 (n=8) were 41 \\% for milk, 70 \\% for yoghurt, 6 \\% for margarine and 12 \\% for soy bean oil. However, with the internal standard correction recoveries were about 130 \\% for milk and yoghurt and 70 and 97 \\% for margarine and soy bean oil, respectively.},\n\tnumber = {3},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Morlock, G. and Schwack, W.},\n\tyear = {2006},\n\tkeywords = {Planar chromatography; Isopropyl-9H-thioxanthen-9-one (ITX); 2,4-Diethyl-9H-thioxanthen-9-one (DTX); HPTLC-ESI/MS; HPTLC-DART/MS; AccuTOF},\n\tpages = {586--595},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Two new HPTLC methods for quantification of isopropyl-9H-thioxanthen-9-one (ITX) in milk, yoghurt and fat samples have been developed. Extraction of ITX from milk and yoghurt was performed with a mixture of cyclohexane and ethyl acetate by employment of accelerated solvent extraction (ASE). For soy bean oil and margarine, a simple partitioning of ITX into acetonitrile was used. ITX and 2,4-diethyl-9H-thioxanthen-9-one (DTX) used as internal standard have been separated on silica gel 60 HPTLC plates with a mixture of toluene and n-hexane (4:1, v/v) and on RP18 HPTLC plates with a mixture of acetonitrile and water (9:1, v/v). Development was performed anti-parallel from both plate sides leading to a throughput of 36 separations in 7 min. Fluorescence measurement at 254/\\textgreater400 nm was used for quantification. Limits of detection (S/N of 3) have been established to be 64 pg for ITX and DTX on both types of HPTLC plates. In fatty matrix (spiked butter) LOD of ITX was determined to be 1 μg kg−1. In the working range monitored (20–200 μg kg−1) polynomial regression of ITX showed a relative standard deviation (sdv) of ±1.51 % (r=0.99981). Starting with the limit of quantification the response was linear (sdv=±2.18 %, r=0.99893). Regarding repeatability (n=9) a coefficient of variation (CV) of 1.1 % was obtained for ITX at 32 ng on silica gel plates and of 2.9 % on reversed-phase plates. Repeatabilities (n=4) of ITX determination at 20, 50 and 100 μg kg−1 in milk, yoghurt, soybean oil and margarine showed CVs between ±1.0 and 6.4 %. The results prove that modern planar chromatography is a rapid and cost-efficient alternative method to quantify ITX in milk-based or fatty matrices. Only positive results are confirmed by online ESI/MS in the SIM mode (LOQ 128 pg) and by DART/MS involving a minimal employment of the MS device, which is a further advantage of HPTLC. Overall mean recovery rates of ITX at 20 or 50 and 100 μg kg−1 (n=8) were 41 % for milk, 70 % for yoghurt, 6 % for margarine and 12 % for soy bean oil. However, with the internal standard correction recoveries were about 130 % for milk and yoghurt and 70 and 97 % for margarine and soy bean oil, respectively.\n
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\n \n\n \n \n \n \n \n \n Characterization of Solid Counterfeit Drug Samples by Desorption Electrospray Ionization and Direct-analysis-in-real-time Coupled to Time-of-flight Mass Spectrometry.\n \n \n \n \n\n\n \n Fernández, F. M.; Cody, R. B; Green, M. D; Hampton, C. Y; McGready, R.; Sengaloundeth, S.; White, N. J; and Newton, P. N\n\n\n \n\n\n\n ChemMedChem, 1(7): 702–705. 2006.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{fernandez_characterization_2006,\n\ttitle = {Characterization of {Solid} {Counterfeit} {Drug} {Samples} by {Desorption} {Electrospray} {Ionization} and {Direct}-analysis-in-real-time {Coupled} to {Time}-of-flight {Mass} {Spectrometry}},\n\tvolume = {1},\n\tissn = {1860-7187},\n\turl = {http://onlinelibrary.wiley.com/doi/10.1002/cmdc.200600041/abstract},\n\tnumber = {7},\n\tjournal = {ChemMedChem},\n\tauthor = {Fernández, Facundo M. and Cody, Robert B and Green, Michael D and Hampton, Christina Y and McGready, Rose and Sengaloundeth, Sivong and White, Nicholas J and Newton, Paul N},\n\tyear = {2006},\n\tkeywords = {DART; DESI; AccuTOF},\n\tpages = {702--705},\n}\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n \n Differentiating Writing Inks Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Jones, R. W.; Cody, R. B.; and McClelland, J. F.\n\n\n \n\n\n\n Journal of Forensic Sciences, 51(4): 915–918. 2006.\n \n\n\n\n
\n\n\n\n \n \n \"DifferentiatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{jones_differentiating_2006,\n\ttitle = {Differentiating {Writing} {Inks} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {51},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2006.00162.x},\n\tdoi = {10.1111/j.1556-4029.2006.00162.x},\n\tabstract = {ABSTRACT:  Writing ink analysis is used in establishing document authenticity and the sources and relative ages of written entries. Most analytical methods require removing samples or visibly altering the document. Nondestructive, in situ analysis of writing inks on paper without visible alteration is possible using mass spectrometry with a new ion source called Direct Analysis in Real Time. Forty-three different black and blue ballpoint, black fluid, and black gel inks were examined. Both dyes and persistent but thermally labile components of the inks contribute to the mass spectra, principally as protonated molecules [M+H]+. Numerous ink components were identified from the spectra. The spectra were placed in a searchable library, which was then challenged with two spectra from each of the 43 inks. The best match for each of the challenge spectra was correct for all but one ink, which matched with a very similar ink by the same manufacturer.},\n\tnumber = {4},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Jones, Roger W. and Cody, Robert B. and McClelland, John F.},\n\tyear = {2006},\n\tkeywords = {AccuTOF, forensic science, ink library, inks, mass spectrometry, questioned documents},\n\tpages = {915--918},\n}\n\n\n\n
\n
\n\n\n
\n ABSTRACT: Writing ink analysis is used in establishing document authenticity and the sources and relative ages of written entries. Most analytical methods require removing samples or visibly altering the document. Nondestructive, in situ analysis of writing inks on paper without visible alteration is possible using mass spectrometry with a new ion source called Direct Analysis in Real Time. Forty-three different black and blue ballpoint, black fluid, and black gel inks were examined. Both dyes and persistent but thermally labile components of the inks contribute to the mass spectra, principally as protonated molecules [M+H]+. Numerous ink components were identified from the spectra. The spectra were placed in a searchable library, which was then challenged with two spectra from each of the 43 inks. The best match for each of the challenge spectra was correct for all but one ink, which matched with a very similar ink by the same manufacturer.\n
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\n\n\n
\n \n\n \n \n \n \n \n The use of recently described ionization techniques for the rapid analysis of some common drugs and samples of biological origin.\n \n \n \n\n\n \n Williams, J.; Patel, V.; Holland, R.; and Scrivens, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 20(9): 1447–1456. 2006.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{williams_use_2006,\n\ttitle = {The use of recently described ionization techniques for the rapid analysis of some common drugs and samples of biological origin},\n\tvolume = {20},\n\tdoi = {10.1002/rcm.2470},\n\tabstract = {Three ionisation techniques that require no sample preparation or extraction prior to mass analysis have been used for the rapid analysis of pharmaceutical tablets and ointments. These methods were (i) the novel direct analysis in real time (DART), (ii) desorption electrospray ionisation (DESI), and (iii) desorption atmospheric pressure chemical ionisation (DAPCI). The performance of the three techniques was investigated for a number of common drugs. Significant differences between these approaches were observed. For compounds of moderate to low polarity DAPCI produced more effective ionisation. Accurate DESI and DAPCI tandem mass spectra were obtained and these greatly enhance the selectivity and information content of the experiment. The detection from human skin of the active ingredients from ointments is reported together with the detection of ibuprofen metabolites in human urine.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Williams, J.P. and Patel, V.J. and Holland, R. and Scrivens, J.H.},\n\tyear = {2006},\n\tpages = {1447--1456},\n}\n\n\n\n
\n
\n\n\n
\n Three ionisation techniques that require no sample preparation or extraction prior to mass analysis have been used for the rapid analysis of pharmaceutical tablets and ointments. These methods were (i) the novel direct analysis in real time (DART), (ii) desorption electrospray ionisation (DESI), and (iii) desorption atmospheric pressure chemical ionisation (DAPCI). The performance of the three techniques was investigated for a number of common drugs. Significant differences between these approaches were observed. For compounds of moderate to low polarity DAPCI produced more effective ionisation. Accurate DESI and DAPCI tandem mass spectra were obtained and these greatly enhance the selectivity and information content of the experiment. The detection from human skin of the active ingredients from ointments is reported together with the detection of ibuprofen metabolites in human urine.\n
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\n \n\n \n \n \n \n \n Determination of isopropylthioxanthone (ITX) in milk, yoghurt and fat by HPTLC-FLD, HPTLC-ESI/MS and HPTLC-DART/MS.\n \n \n \n\n\n \n Morlock, G.; and Schwack, W.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 385(3): 586–595. 2006.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{morlock_determination_2006,\n\ttitle = {Determination of isopropylthioxanthone ({ITX}) in milk, yoghurt and fat by {HPTLC}-{FLD}, {HPTLC}-{ESI}/{MS} and {HPTLC}-{DART}/{MS}},\n\tvolume = {385},\n\tissn = {1618-2642 (PRINT) 1618-2650 (ONLINE)},\n\tdoi = {10.1007/s00216-006-0430-5},\n\tabstract = {Two new HPTLC methods for quantification of isopropyl-9H-thioxanthen-9-one (ITX) in milk, yoghurt and fat samples have been developed. Extraction of ITX from milk and yoghurt was performed with a mixture of cyclohexane and ethyl acetate by employment of accelerated solvent extraction (ASE). For soy bean oil and margarine, a simple partitioning of ITX into acetonitrile was used. ITX and 2,4-diethyl-9H-thioxanthen-9-one (DTX) used as internal standard have been separated on silica gel 60 HPTLC plates with a mixture of toluene and n-hexane (4:1, v/v) and on RP18 HPTLC plates with a mixture of acetonitrile and water (9:1, v/v). Development was performed anti-parallel from both plate sides leading to a throughput of 36 separations in 7 min. Fluorescence measurement at 254/{\\textgreater}400 nm was used for quantification. Limits of detection (S/N of 3) have been established to be 64 pg for ITX and DTX on both types of HPTLC plates. In fatty matrix (spiked butter) LOD of ITX was determined to be 1 μg kg−1. In the working range monitored (20–200 μg kg−1) polynomial regression of ITX showed a relative standard deviation (sdv) of ±1.51 \\% (r=0.99981). Starting with the limit of quantification the response was linear (sdv=±2.18 \\%, r=0.99893). Regarding repeatability (n=9) a coefficient of variation (CV) of 1.1 \\% was obtained for ITX at 32 ng on silica gel plates and of 2.9 \\% on reversed-phase plates. Repeatabilities (n=4) of ITX determination at 20, 50 and 100 μg kg−1 in milk, yoghurt, soybean oil and margarine showed CVs between ±1.0 and 6.4 \\%. The results prove that modern planar chromatography is a rapid and cost-efficient alternative method to quantify ITX in milk-based or fatty matrices. Only positive results are confirmed by online ESI/MS in the SIM mode (LOQ 128 pg) and by DART/MS involving a minimal employment of the MS device, which is a further advantage of HPTLC. Overall mean recovery rates of ITX at 20 or 50 and 100 μg kg−1 (n=8) were 41 \\% for milk, 70 \\% for yoghurt, 6 \\% for margarine and 12 \\% for soy bean oil. However, with the internal standard correction recoveries were about 130 \\% for milk and yoghurt and 70 and 97 \\% for margarine and soy bean oil, respectively.},\n\tnumber = {3},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Morlock, G. and Schwack, W.},\n\tyear = {2006},\n\tkeywords = {Planar chromatography; Isopropyl-9H-thioxanthen-9-one (ITX); 2,4-Diethyl-9H-thioxanthen-9-one (DTX); HPTLC-ESI/MS; HPTLC-DART/MS; AccuTOF},\n\tpages = {586--595},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n Two new HPTLC methods for quantification of isopropyl-9H-thioxanthen-9-one (ITX) in milk, yoghurt and fat samples have been developed. Extraction of ITX from milk and yoghurt was performed with a mixture of cyclohexane and ethyl acetate by employment of accelerated solvent extraction (ASE). For soy bean oil and margarine, a simple partitioning of ITX into acetonitrile was used. ITX and 2,4-diethyl-9H-thioxanthen-9-one (DTX) used as internal standard have been separated on silica gel 60 HPTLC plates with a mixture of toluene and n-hexane (4:1, v/v) and on RP18 HPTLC plates with a mixture of acetonitrile and water (9:1, v/v). Development was performed anti-parallel from both plate sides leading to a throughput of 36 separations in 7 min. Fluorescence measurement at 254/\\textgreater400 nm was used for quantification. Limits of detection (S/N of 3) have been established to be 64 pg for ITX and DTX on both types of HPTLC plates. In fatty matrix (spiked butter) LOD of ITX was determined to be 1 μg kg−1. In the working range monitored (20–200 μg kg−1) polynomial regression of ITX showed a relative standard deviation (sdv) of ±1.51 % (r=0.99981). Starting with the limit of quantification the response was linear (sdv=±2.18 %, r=0.99893). Regarding repeatability (n=9) a coefficient of variation (CV) of 1.1 % was obtained for ITX at 32 ng on silica gel plates and of 2.9 % on reversed-phase plates. Repeatabilities (n=4) of ITX determination at 20, 50 and 100 μg kg−1 in milk, yoghurt, soybean oil and margarine showed CVs between ±1.0 and 6.4 %. The results prove that modern planar chromatography is a rapid and cost-efficient alternative method to quantify ITX in milk-based or fatty matrices. Only positive results are confirmed by online ESI/MS in the SIM mode (LOQ 128 pg) and by DART/MS involving a minimal employment of the MS device, which is a further advantage of HPTLC. Overall mean recovery rates of ITX at 20 or 50 and 100 μg kg−1 (n=8) were 41 % for milk, 70 % for yoghurt, 6 % for margarine and 12 % for soy bean oil. However, with the internal standard correction recoveries were about 130 % for milk and yoghurt and 70 and 97 % for margarine and soy bean oil, respectively.\n
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\n \n\n \n \n \n \n \n \n Characterization of Solid Counterfeit Drug Samples by Desorption Electrospray Ionization and Direct-analysis-in-real-time Coupled to Time-of-flight Mass Spectrometry.\n \n \n \n \n\n\n \n Fernández, F. M.; Cody, R. B; Green, M. D; Hampton, C. Y; McGready, R.; Sengaloundeth, S.; White, N. J; and Newton, P. N\n\n\n \n\n\n\n ChemMedChem, 1(7): 702–705. 2006.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{fernandez_characterization_2006,\n\ttitle = {Characterization of {Solid} {Counterfeit} {Drug} {Samples} by {Desorption} {Electrospray} {Ionization} and {Direct}-analysis-in-real-time {Coupled} to {Time}-of-flight {Mass} {Spectrometry}},\n\tvolume = {1},\n\tissn = {1860-7187},\n\turl = {http://onlinelibrary.wiley.com/doi/10.1002/cmdc.200600041/abstract},\n\tnumber = {7},\n\tjournal = {ChemMedChem},\n\tauthor = {Fernández, Facundo M. and Cody, Robert B and Green, Michael D and Hampton, Christina Y and McGready, Rose and Sengaloundeth, Sivong and White, Nicholas J and Newton, Paul N},\n\tyear = {2006},\n\tkeywords = {DART; DESI; AccuTOF},\n\tpages = {702--705},\n}\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n Determination of isopropylthioxanthone (ITX) in milk, yoghurt and fat by HPTLC-FLD, HPTLC-ESI/MS and HPTLC-DART/MS.\n \n \n \n\n\n \n Morlock, G.; and Schwack, W.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 385(3): 586–595. 2006.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{morlock_determination_2006,\n\ttitle = {Determination of isopropylthioxanthone ({ITX}) in milk, yoghurt and fat by {HPTLC}-{FLD}, {HPTLC}-{ESI}/{MS} and {HPTLC}-{DART}/{MS}},\n\tvolume = {385},\n\tissn = {1618-2642 (PRINT) 1618-2650 (ONLINE)},\n\tdoi = {10.1007/s00216-006-0430-5},\n\tabstract = {Two new HPTLC methods for quantification of isopropyl-9H-thioxanthen-9-one (ITX) in milk, yoghurt and fat samples have been developed. Extraction of ITX from milk and yoghurt was performed with a mixture of cyclohexane and ethyl acetate by employment of accelerated solvent extraction (ASE). For soy bean oil and margarine, a simple partitioning of ITX into acetonitrile was used. ITX and 2,4-diethyl-9H-thioxanthen-9-one (DTX) used as internal standard have been separated on silica gel 60 HPTLC plates with a mixture of toluene and n-hexane (4:1, v/v) and on RP18 HPTLC plates with a mixture of acetonitrile and water (9:1, v/v). Development was performed anti-parallel from both plate sides leading to a throughput of 36 separations in 7 min. Fluorescence measurement at 254/{\\textgreater}400 nm was used for quantification. Limits of detection (S/N of 3) have been established to be 64 pg for ITX and DTX on both types of HPTLC plates. In fatty matrix (spiked butter) LOD of ITX was determined to be 1 μg kg−1. In the working range monitored (20–200 μg kg−1) polynomial regression of ITX showed a relative standard deviation (sdv) of ±1.51 \\% (r=0.99981). Starting with the limit of quantification the response was linear (sdv=±2.18 \\%, r=0.99893). Regarding repeatability (n=9) a coefficient of variation (CV) of 1.1 \\% was obtained for ITX at 32 ng on silica gel plates and of 2.9 \\% on reversed-phase plates. Repeatabilities (n=4) of ITX determination at 20, 50 and 100 μg kg−1 in milk, yoghurt, soybean oil and margarine showed CVs between ±1.0 and 6.4 \\%. The results prove that modern planar chromatography is a rapid and cost-efficient alternative method to quantify ITX in milk-based or fatty matrices. Only positive results are confirmed by online ESI/MS in the SIM mode (LOQ 128 pg) and by DART/MS involving a minimal employment of the MS device, which is a further advantage of HPTLC. Overall mean recovery rates of ITX at 20 or 50 and 100 μg kg−1 (n=8) were 41 \\% for milk, 70 \\% for yoghurt, 6 \\% for margarine and 12 \\% for soy bean oil. However, with the internal standard correction recoveries were about 130 \\% for milk and yoghurt and 70 and 97 \\% for margarine and soy bean oil, respectively.},\n\tnumber = {3},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Morlock, G. and Schwack, W.},\n\tyear = {2006},\n\tkeywords = {Planar chromatography; Isopropyl-9H-thioxanthen-9-one (ITX); 2,4-Diethyl-9H-thioxanthen-9-one (DTX); HPTLC-ESI/MS; HPTLC-DART/MS; AccuTOF},\n\tpages = {586--595},\n}\n\n\n\n
\n
\n\n\n
\n Two new HPTLC methods for quantification of isopropyl-9H-thioxanthen-9-one (ITX) in milk, yoghurt and fat samples have been developed. Extraction of ITX from milk and yoghurt was performed with a mixture of cyclohexane and ethyl acetate by employment of accelerated solvent extraction (ASE). For soy bean oil and margarine, a simple partitioning of ITX into acetonitrile was used. ITX and 2,4-diethyl-9H-thioxanthen-9-one (DTX) used as internal standard have been separated on silica gel 60 HPTLC plates with a mixture of toluene and n-hexane (4:1, v/v) and on RP18 HPTLC plates with a mixture of acetonitrile and water (9:1, v/v). Development was performed anti-parallel from both plate sides leading to a throughput of 36 separations in 7 min. Fluorescence measurement at 254/\\textgreater400 nm was used for quantification. Limits of detection (S/N of 3) have been established to be 64 pg for ITX and DTX on both types of HPTLC plates. In fatty matrix (spiked butter) LOD of ITX was determined to be 1 μg kg−1. In the working range monitored (20–200 μg kg−1) polynomial regression of ITX showed a relative standard deviation (sdv) of ±1.51 % (r=0.99981). Starting with the limit of quantification the response was linear (sdv=±2.18 %, r=0.99893). Regarding repeatability (n=9) a coefficient of variation (CV) of 1.1 % was obtained for ITX at 32 ng on silica gel plates and of 2.9 % on reversed-phase plates. Repeatabilities (n=4) of ITX determination at 20, 50 and 100 μg kg−1 in milk, yoghurt, soybean oil and margarine showed CVs between ±1.0 and 6.4 %. The results prove that modern planar chromatography is a rapid and cost-efficient alternative method to quantify ITX in milk-based or fatty matrices. Only positive results are confirmed by online ESI/MS in the SIM mode (LOQ 128 pg) and by DART/MS involving a minimal employment of the MS device, which is a further advantage of HPTLC. Overall mean recovery rates of ITX at 20 or 50 and 100 μg kg−1 (n=8) were 41 % for milk, 70 % for yoghurt, 6 % for margarine and 12 % for soy bean oil. However, with the internal standard correction recoveries were about 130 % for milk and yoghurt and 70 and 97 % for margarine and soy bean oil, respectively.\n
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\n \n\n \n \n \n \n \n \n Characterization of Solid Counterfeit Drug Samples by Desorption Electrospray Ionization and Direct-analysis-in-real-time Coupled to Time-of-flight Mass Spectrometry.\n \n \n \n \n\n\n \n Fernández, F. M.; Cody, R. B; Green, M. D; Hampton, C. Y; McGready, R.; Sengaloundeth, S.; White, N. J; and Newton, P. N\n\n\n \n\n\n\n ChemMedChem, 1(7): 702–705. 2006.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{fernandez_characterization_2006,\n\ttitle = {Characterization of {Solid} {Counterfeit} {Drug} {Samples} by {Desorption} {Electrospray} {Ionization} and {Direct}-analysis-in-real-time {Coupled} to {Time}-of-flight {Mass} {Spectrometry}},\n\tvolume = {1},\n\tissn = {1860-7187},\n\turl = {http://onlinelibrary.wiley.com/doi/10.1002/cmdc.200600041/abstract},\n\tnumber = {7},\n\tjournal = {ChemMedChem},\n\tauthor = {Fernández, Facundo M. and Cody, Robert B and Green, Michael D and Hampton, Christina Y and McGready, Rose and Sengaloundeth, Sivong and White, Nicholas J and Newton, Paul N},\n\tyear = {2006},\n\tkeywords = {DART; DESI; AccuTOF},\n\tpages = {702--705},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n The use of recently described ionization techniques for the rapid analysis of some common drugs and samples of biological origin.\n \n \n \n\n\n \n Williams, J.; Patel, V.; Holland, R.; and Scrivens, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 20(9): 1447–1456. 2006.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{williams_use_2006,\n\ttitle = {The use of recently described ionization techniques for the rapid analysis of some common drugs and samples of biological origin},\n\tvolume = {20},\n\tdoi = {10.1002/rcm.2470},\n\tabstract = {Three ionisation techniques that require no sample preparation or extraction prior to mass analysis have been used for the rapid analysis of pharmaceutical tablets and ointments. These methods were (i) the novel direct analysis in real time (DART), (ii) desorption electrospray ionisation (DESI), and (iii) desorption atmospheric pressure chemical ionisation (DAPCI). The performance of the three techniques was investigated for a number of common drugs. Significant differences between these approaches were observed. For compounds of moderate to low polarity DAPCI produced more effective ionisation. Accurate DESI and DAPCI tandem mass spectra were obtained and these greatly enhance the selectivity and information content of the experiment. The detection from human skin of the active ingredients from ointments is reported together with the detection of ibuprofen metabolites in human urine.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Williams, J.P. and Patel, V.J. and Holland, R. and Scrivens, J.H.},\n\tyear = {2006},\n\tpages = {1447--1456},\n}\n\n\n\n
\n
\n\n\n
\n Three ionisation techniques that require no sample preparation or extraction prior to mass analysis have been used for the rapid analysis of pharmaceutical tablets and ointments. These methods were (i) the novel direct analysis in real time (DART), (ii) desorption electrospray ionisation (DESI), and (iii) desorption atmospheric pressure chemical ionisation (DAPCI). The performance of the three techniques was investigated for a number of common drugs. Significant differences between these approaches were observed. For compounds of moderate to low polarity DAPCI produced more effective ionisation. Accurate DESI and DAPCI tandem mass spectra were obtained and these greatly enhance the selectivity and information content of the experiment. The detection from human skin of the active ingredients from ointments is reported together with the detection of ibuprofen metabolites in human urine.\n
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\n \n\n \n \n \n \n \n \n Differentiating Writing Inks Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Jones, R. W.; Cody, R. B.; and McClelland, J. F.\n\n\n \n\n\n\n Journal of Forensic Sciences, 51(4): 915–918. 2006.\n \n\n\n\n
\n\n\n\n \n \n \"DifferentiatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{jones_differentiating_2006,\n\ttitle = {Differentiating {Writing} {Inks} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {51},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2006.00162.x},\n\tdoi = {10.1111/j.1556-4029.2006.00162.x},\n\tabstract = {ABSTRACT:  Writing ink analysis is used in establishing document authenticity and the sources and relative ages of written entries. Most analytical methods require removing samples or visibly altering the document. Nondestructive, in situ analysis of writing inks on paper without visible alteration is possible using mass spectrometry with a new ion source called Direct Analysis in Real Time. Forty-three different black and blue ballpoint, black fluid, and black gel inks were examined. Both dyes and persistent but thermally labile components of the inks contribute to the mass spectra, principally as protonated molecules [M+H]+. Numerous ink components were identified from the spectra. The spectra were placed in a searchable library, which was then challenged with two spectra from each of the 43 inks. The best match for each of the challenge spectra was correct for all but one ink, which matched with a very similar ink by the same manufacturer.},\n\tnumber = {4},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Jones, Roger W. and Cody, Robert B. and McClelland, John F.},\n\tyear = {2006},\n\tkeywords = {AccuTOF, forensic science, ink library, inks, mass spectrometry, questioned documents},\n\tpages = {915--918},\n}\n\n\n\n
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\n ABSTRACT: Writing ink analysis is used in establishing document authenticity and the sources and relative ages of written entries. Most analytical methods require removing samples or visibly altering the document. Nondestructive, in situ analysis of writing inks on paper without visible alteration is possible using mass spectrometry with a new ion source called Direct Analysis in Real Time. Forty-three different black and blue ballpoint, black fluid, and black gel inks were examined. Both dyes and persistent but thermally labile components of the inks contribute to the mass spectra, principally as protonated molecules [M+H]+. Numerous ink components were identified from the spectra. The spectra were placed in a searchable library, which was then challenged with two spectra from each of the 43 inks. The best match for each of the challenge spectra was correct for all but one ink, which matched with a very similar ink by the same manufacturer.\n
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\n \n\n \n \n \n \n \n Determination of isopropylthioxanthone (ITX) in milk, yoghurt and fat by HPTLC-FLD, HPTLC-ESI/MS and HPTLC-DART/MS.\n \n \n \n\n\n \n Morlock, G.; and Schwack, W.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 385(3): 586–595. 2006.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{morlock_determination_2006,\n\ttitle = {Determination of isopropylthioxanthone ({ITX}) in milk, yoghurt and fat by {HPTLC}-{FLD}, {HPTLC}-{ESI}/{MS} and {HPTLC}-{DART}/{MS}},\n\tvolume = {385},\n\tissn = {1618-2642 (PRINT) 1618-2650 (ONLINE)},\n\tdoi = {10.1007/s00216-006-0430-5},\n\tabstract = {Two new HPTLC methods for quantification of isopropyl-9H-thioxanthen-9-one (ITX) in milk, yoghurt and fat samples have been developed. Extraction of ITX from milk and yoghurt was performed with a mixture of cyclohexane and ethyl acetate by employment of accelerated solvent extraction (ASE). For soy bean oil and margarine, a simple partitioning of ITX into acetonitrile was used. ITX and 2,4-diethyl-9H-thioxanthen-9-one (DTX) used as internal standard have been separated on silica gel 60 HPTLC plates with a mixture of toluene and n-hexane (4:1, v/v) and on RP18 HPTLC plates with a mixture of acetonitrile and water (9:1, v/v). Development was performed anti-parallel from both plate sides leading to a throughput of 36 separations in 7 min. Fluorescence measurement at 254/{\\textgreater}400 nm was used for quantification. Limits of detection (S/N of 3) have been established to be 64 pg for ITX and DTX on both types of HPTLC plates. In fatty matrix (spiked butter) LOD of ITX was determined to be 1 μg kg−1. In the working range monitored (20–200 μg kg−1) polynomial regression of ITX showed a relative standard deviation (sdv) of ±1.51 \\% (r=0.99981). Starting with the limit of quantification the response was linear (sdv=±2.18 \\%, r=0.99893). Regarding repeatability (n=9) a coefficient of variation (CV) of 1.1 \\% was obtained for ITX at 32 ng on silica gel plates and of 2.9 \\% on reversed-phase plates. Repeatabilities (n=4) of ITX determination at 20, 50 and 100 μg kg−1 in milk, yoghurt, soybean oil and margarine showed CVs between ±1.0 and 6.4 \\%. The results prove that modern planar chromatography is a rapid and cost-efficient alternative method to quantify ITX in milk-based or fatty matrices. Only positive results are confirmed by online ESI/MS in the SIM mode (LOQ 128 pg) and by DART/MS involving a minimal employment of the MS device, which is a further advantage of HPTLC. Overall mean recovery rates of ITX at 20 or 50 and 100 μg kg−1 (n=8) were 41 \\% for milk, 70 \\% for yoghurt, 6 \\% for margarine and 12 \\% for soy bean oil. However, with the internal standard correction recoveries were about 130 \\% for milk and yoghurt and 70 and 97 \\% for margarine and soy bean oil, respectively.},\n\tnumber = {3},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Morlock, G. and Schwack, W.},\n\tyear = {2006},\n\tkeywords = {Planar chromatography; Isopropyl-9H-thioxanthen-9-one (ITX); 2,4-Diethyl-9H-thioxanthen-9-one (DTX); HPTLC-ESI/MS; HPTLC-DART/MS; AccuTOF},\n\tpages = {586--595},\n}\n\n\n\n
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\n Two new HPTLC methods for quantification of isopropyl-9H-thioxanthen-9-one (ITX) in milk, yoghurt and fat samples have been developed. Extraction of ITX from milk and yoghurt was performed with a mixture of cyclohexane and ethyl acetate by employment of accelerated solvent extraction (ASE). For soy bean oil and margarine, a simple partitioning of ITX into acetonitrile was used. ITX and 2,4-diethyl-9H-thioxanthen-9-one (DTX) used as internal standard have been separated on silica gel 60 HPTLC plates with a mixture of toluene and n-hexane (4:1, v/v) and on RP18 HPTLC plates with a mixture of acetonitrile and water (9:1, v/v). Development was performed anti-parallel from both plate sides leading to a throughput of 36 separations in 7 min. Fluorescence measurement at 254/\\textgreater400 nm was used for quantification. Limits of detection (S/N of 3) have been established to be 64 pg for ITX and DTX on both types of HPTLC plates. In fatty matrix (spiked butter) LOD of ITX was determined to be 1 μg kg−1. In the working range monitored (20–200 μg kg−1) polynomial regression of ITX showed a relative standard deviation (sdv) of ±1.51 % (r=0.99981). Starting with the limit of quantification the response was linear (sdv=±2.18 %, r=0.99893). Regarding repeatability (n=9) a coefficient of variation (CV) of 1.1 % was obtained for ITX at 32 ng on silica gel plates and of 2.9 % on reversed-phase plates. Repeatabilities (n=4) of ITX determination at 20, 50 and 100 μg kg−1 in milk, yoghurt, soybean oil and margarine showed CVs between ±1.0 and 6.4 %. The results prove that modern planar chromatography is a rapid and cost-efficient alternative method to quantify ITX in milk-based or fatty matrices. Only positive results are confirmed by online ESI/MS in the SIM mode (LOQ 128 pg) and by DART/MS involving a minimal employment of the MS device, which is a further advantage of HPTLC. Overall mean recovery rates of ITX at 20 or 50 and 100 μg kg−1 (n=8) were 41 % for milk, 70 % for yoghurt, 6 % for margarine and 12 % for soy bean oil. However, with the internal standard correction recoveries were about 130 % for milk and yoghurt and 70 and 97 % for margarine and soy bean oil, respectively.\n
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\n \n\n \n \n \n \n \n \n Characterization of Solid Counterfeit Drug Samples by Desorption Electrospray Ionization and Direct-analysis-in-real-time Coupled to Time-of-flight Mass Spectrometry.\n \n \n \n \n\n\n \n Fernández, F. M.; Cody, R. B; Green, M. D; Hampton, C. Y; McGready, R.; Sengaloundeth, S.; White, N. J; and Newton, P. N\n\n\n \n\n\n\n ChemMedChem, 1(7): 702–705. 2006.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{fernandez_characterization_2006,\n\ttitle = {Characterization of {Solid} {Counterfeit} {Drug} {Samples} by {Desorption} {Electrospray} {Ionization} and {Direct}-analysis-in-real-time {Coupled} to {Time}-of-flight {Mass} {Spectrometry}},\n\tvolume = {1},\n\tissn = {1860-7187},\n\turl = {http://onlinelibrary.wiley.com/doi/10.1002/cmdc.200600041/abstract},\n\tnumber = {7},\n\tjournal = {ChemMedChem},\n\tauthor = {Fernández, Facundo M. and Cody, Robert B and Green, Michael D and Hampton, Christina Y and McGready, Rose and Sengaloundeth, Sivong and White, Nicholas J and Newton, Paul N},\n\tyear = {2006},\n\tkeywords = {DART; DESI; AccuTOF},\n\tpages = {702--705},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n The use of recently described ionization techniques for the rapid analysis of some common drugs and samples of biological origin.\n \n \n \n\n\n \n Williams, J.; Patel, V.; Holland, R.; and Scrivens, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 20(9): 1447–1456. 2006.\n \n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
\n
@article{williams_use_2006,\n\ttitle = {The use of recently described ionization techniques for the rapid analysis of some common drugs and samples of biological origin},\n\tvolume = {20},\n\tdoi = {10.1002/rcm.2470},\n\tabstract = {Three ionisation techniques that require no sample preparation or extraction prior to mass analysis have been used for the rapid analysis of pharmaceutical tablets and ointments. These methods were (i) the novel direct analysis in real time (DART), (ii) desorption electrospray ionisation (DESI), and (iii) desorption atmospheric pressure chemical ionisation (DAPCI). The performance of the three techniques was investigated for a number of common drugs. Significant differences between these approaches were observed. For compounds of moderate to low polarity DAPCI produced more effective ionisation. Accurate DESI and DAPCI tandem mass spectra were obtained and these greatly enhance the selectivity and information content of the experiment. The detection from human skin of the active ingredients from ointments is reported together with the detection of ibuprofen metabolites in human urine.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Williams, J.P. and Patel, V.J. and Holland, R. and Scrivens, J.H.},\n\tyear = {2006},\n\tpages = {1447--1456},\n}\n\n\n\n
\n
\n\n\n
\n Three ionisation techniques that require no sample preparation or extraction prior to mass analysis have been used for the rapid analysis of pharmaceutical tablets and ointments. These methods were (i) the novel direct analysis in real time (DART), (ii) desorption electrospray ionisation (DESI), and (iii) desorption atmospheric pressure chemical ionisation (DAPCI). The performance of the three techniques was investigated for a number of common drugs. Significant differences between these approaches were observed. For compounds of moderate to low polarity DAPCI produced more effective ionisation. Accurate DESI and DAPCI tandem mass spectra were obtained and these greatly enhance the selectivity and information content of the experiment. The detection from human skin of the active ingredients from ointments is reported together with the detection of ibuprofen metabolites in human urine.\n
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\n \n\n \n \n \n \n \n \n Differentiating Writing Inks Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Jones, R. W.; Cody, R. B.; and McClelland, J. F.\n\n\n \n\n\n\n Journal of Forensic Sciences, 51(4): 915–918. 2006.\n \n\n\n\n
\n\n\n\n \n \n \"DifferentiatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{jones_differentiating_2006,\n\ttitle = {Differentiating {Writing} {Inks} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {51},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2006.00162.x},\n\tdoi = {10.1111/j.1556-4029.2006.00162.x},\n\tabstract = {ABSTRACT:  Writing ink analysis is used in establishing document authenticity and the sources and relative ages of written entries. Most analytical methods require removing samples or visibly altering the document. Nondestructive, in situ analysis of writing inks on paper without visible alteration is possible using mass spectrometry with a new ion source called Direct Analysis in Real Time. Forty-three different black and blue ballpoint, black fluid, and black gel inks were examined. Both dyes and persistent but thermally labile components of the inks contribute to the mass spectra, principally as protonated molecules [M+H]+. Numerous ink components were identified from the spectra. The spectra were placed in a searchable library, which was then challenged with two spectra from each of the 43 inks. The best match for each of the challenge spectra was correct for all but one ink, which matched with a very similar ink by the same manufacturer.},\n\tnumber = {4},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Jones, Roger W. and Cody, Robert B. and McClelland, John F.},\n\tyear = {2006},\n\tkeywords = {AccuTOF, forensic science, ink library, inks, mass spectrometry, questioned documents},\n\tpages = {915--918},\n}\n\n\n\n
\n
\n\n\n
\n ABSTRACT: Writing ink analysis is used in establishing document authenticity and the sources and relative ages of written entries. Most analytical methods require removing samples or visibly altering the document. Nondestructive, in situ analysis of writing inks on paper without visible alteration is possible using mass spectrometry with a new ion source called Direct Analysis in Real Time. Forty-three different black and blue ballpoint, black fluid, and black gel inks were examined. Both dyes and persistent but thermally labile components of the inks contribute to the mass spectra, principally as protonated molecules [M+H]+. Numerous ink components were identified from the spectra. The spectra were placed in a searchable library, which was then challenged with two spectra from each of the 43 inks. The best match for each of the challenge spectra was correct for all but one ink, which matched with a very similar ink by the same manufacturer.\n
\n\n\n
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\n \n\n \n \n \n \n \n \n Characterization of Solid Counterfeit Drug Samples by Desorption Electrospray Ionization and Direct-analysis-in-real-time Coupled to Time-of-flight Mass Spectrometry.\n \n \n \n \n\n\n \n Fernández, F. M.; Cody, R. B; Green, M. D; Hampton, C. Y; McGready, R.; Sengaloundeth, S.; White, N. J; and Newton, P. N\n\n\n \n\n\n\n ChemMedChem, 1(7): 702–705. 2006.\n 00166\n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{fernandez_characterization_2006,\n\ttitle = {Characterization of {Solid} {Counterfeit} {Drug} {Samples} by {Desorption} {Electrospray} {Ionization} and {Direct}-analysis-in-real-time {Coupled} to {Time}-of-flight {Mass} {Spectrometry}},\n\tvolume = {1},\n\tissn = {1860-7187},\n\turl = {http://onlinelibrary.wiley.com/doi/10.1002/cmdc.200600041/abstract},\n\tnumber = {7},\n\tjournal = {ChemMedChem},\n\tauthor = {Fernández, Facundo M. and Cody, Robert B and Green, Michael D and Hampton, Christina Y and McGready, Rose and Sengaloundeth, Sivong and White, Nicholas J and Newton, Paul N},\n\tyear = {2006},\n\tnote = {00166},\n\tkeywords = {DART; DESI; AccuTOF},\n\tpages = {702--705},\n}\n\n\n\n
\n
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\n\n\n
\n \n\n \n \n \n \n \n \n Differentiating Writing Inks Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Jones, R. W.; Cody, R. B.; and McClelland, J. F.\n\n\n \n\n\n\n Journal of Forensic Sciences, 51(4): 915–918. 2006.\n 00094\n\n\n\n
\n\n\n\n \n \n \"DifferentiatingPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{jones_differentiating_2006,\n\ttitle = {Differentiating {Writing} {Inks} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {51},\n\tissn = {1556-4029},\n\turl = {http://dx.doi.org/10.1111/j.1556-4029.2006.00162.x},\n\tdoi = {10.1111/j.1556-4029.2006.00162.x},\n\tabstract = {ABSTRACT:  Writing ink analysis is used in establishing document authenticity and the sources and relative ages of written entries. Most analytical methods require removing samples or visibly altering the document. Nondestructive, in situ analysis of writing inks on paper without visible alteration is possible using mass spectrometry with a new ion source called Direct Analysis in Real Time. Forty-three different black and blue ballpoint, black fluid, and black gel inks were examined. Both dyes and persistent but thermally labile components of the inks contribute to the mass spectra, principally as protonated molecules [M+H]+. Numerous ink components were identified from the spectra. The spectra were placed in a searchable library, which was then challenged with two spectra from each of the 43 inks. The best match for each of the challenge spectra was correct for all but one ink, which matched with a very similar ink by the same manufacturer.},\n\tnumber = {4},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Jones, Roger W. and Cody, Robert B. and McClelland, John F.},\n\tyear = {2006},\n\tnote = {00094},\n\tkeywords = {AccuTOF, forensic science, ink library, inks, mass spectrometry, questioned documents},\n\tpages = {915--918},\n}\n\n\n\n
\n
\n\n\n
\n ABSTRACT: Writing ink analysis is used in establishing document authenticity and the sources and relative ages of written entries. Most analytical methods require removing samples or visibly altering the document. Nondestructive, in situ analysis of writing inks on paper without visible alteration is possible using mass spectrometry with a new ion source called Direct Analysis in Real Time. Forty-three different black and blue ballpoint, black fluid, and black gel inks were examined. Both dyes and persistent but thermally labile components of the inks contribute to the mass spectra, principally as protonated molecules [M+H]+. Numerous ink components were identified from the spectra. The spectra were placed in a searchable library, which was then challenged with two spectra from each of the 43 inks. The best match for each of the challenge spectra was correct for all but one ink, which matched with a very similar ink by the same manufacturer.\n
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\n\n\n
\n \n\n \n \n \n \n \n Determination of isopropylthioxanthone (ITX) in milk, yoghurt and fat by HPTLC-FLD, HPTLC-ESI/MS and HPTLC-DART/MS.\n \n \n \n\n\n \n Morlock, G.; and Schwack, W.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 385(3): 586–595. 2006.\n 00123\n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{morlock_determination_2006,\n\ttitle = {Determination of isopropylthioxanthone ({ITX}) in milk, yoghurt and fat by {HPTLC}-{FLD}, {HPTLC}-{ESI}/{MS} and {HPTLC}-{DART}/{MS}},\n\tvolume = {385},\n\tissn = {1618-2642 (Print) 1618-2650 (Online)},\n\tdoi = {10.1007/s00216-006-0430-5},\n\tabstract = {Two new HPTLC methods for quantification of isopropyl-9H-thioxanthen-9-one (ITX) in milk, yoghurt and fat samples have been developed. Extraction of ITX from milk and yoghurt was performed with a mixture of cyclohexane and ethyl acetate by employment of accelerated solvent extraction (ASE). For soy bean oil and margarine, a simple partitioning of ITX into acetonitrile was used. ITX and 2,4-diethyl-9H-thioxanthen-9-one (DTX) used as internal standard have been separated on silica gel 60 HPTLC plates with a mixture of toluene and n-hexane (4:1, v/v) and on RP18 HPTLC plates with a mixture of acetonitrile and water (9:1, v/v). Development was performed anti-parallel from both plate sides leading to a throughput of 36 separations in 7 min. Fluorescence measurement at 254/{\\textgreater}400 nm was used for quantification. Limits of detection (S/N of 3) have been established to be 64 pg for ITX and DTX on both types of HPTLC plates. In fatty matrix (spiked butter) LOD of ITX was determined to be 1 μg kg−1. In the working range monitored (20–200 μg kg−1) polynomial regression of ITX showed a relative standard deviation (sdv) of ±1.51 \\% (r=0.99981). Starting with the limit of quantification the response was linear (sdv=±2.18 \\%, r=0.99893). Regarding repeatability (n=9) a coefficient of variation (CV) of 1.1 \\% was obtained for ITX at 32 ng on silica gel plates and of 2.9 \\% on reversed-phase plates. Repeatabilities (n=4) of ITX determination at 20, 50 and 100 μg kg−1 in milk, yoghurt, soybean oil and margarine showed CVs between ±1.0 and 6.4 \\%. The results prove that modern planar chromatography is a rapid and cost-efficient alternative method to quantify ITX in milk-based or fatty matrices. Only positive results are confirmed by online ESI/MS in the SIM mode (LOQ 128 pg) and by DART/MS involving a minimal employment of the MS device, which is a further advantage of HPTLC. Overall mean recovery rates of ITX at 20 or 50 and 100 μg kg−1 (n=8) were 41 \\% for milk, 70 \\% for yoghurt, 6 \\% for margarine and 12 \\% for soy bean oil. However, with the internal standard correction recoveries were about 130 \\% for milk and yoghurt and 70 and 97 \\% for margarine and soy bean oil, respectively.},\n\tnumber = {3},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Morlock, G. and Schwack, W.},\n\tyear = {2006},\n\tnote = {00123},\n\tkeywords = {Planar chromatography; Isopropyl-9H-thioxanthen-9-one (ITX); 2,4-Diethyl-9H-thioxanthen-9-one (DTX); HPTLC-ESI/MS; HPTLC-DART/MS; AccuTOF},\n\tpages = {586--595},\n}\n\n\n\n
\n
\n\n\n
\n Two new HPTLC methods for quantification of isopropyl-9H-thioxanthen-9-one (ITX) in milk, yoghurt and fat samples have been developed. Extraction of ITX from milk and yoghurt was performed with a mixture of cyclohexane and ethyl acetate by employment of accelerated solvent extraction (ASE). For soy bean oil and margarine, a simple partitioning of ITX into acetonitrile was used. ITX and 2,4-diethyl-9H-thioxanthen-9-one (DTX) used as internal standard have been separated on silica gel 60 HPTLC plates with a mixture of toluene and n-hexane (4:1, v/v) and on RP18 HPTLC plates with a mixture of acetonitrile and water (9:1, v/v). Development was performed anti-parallel from both plate sides leading to a throughput of 36 separations in 7 min. Fluorescence measurement at 254/\\textgreater400 nm was used for quantification. Limits of detection (S/N of 3) have been established to be 64 pg for ITX and DTX on both types of HPTLC plates. In fatty matrix (spiked butter) LOD of ITX was determined to be 1 μg kg−1. In the working range monitored (20–200 μg kg−1) polynomial regression of ITX showed a relative standard deviation (sdv) of ±1.51 % (r=0.99981). Starting with the limit of quantification the response was linear (sdv=±2.18 %, r=0.99893). Regarding repeatability (n=9) a coefficient of variation (CV) of 1.1 % was obtained for ITX at 32 ng on silica gel plates and of 2.9 % on reversed-phase plates. Repeatabilities (n=4) of ITX determination at 20, 50 and 100 μg kg−1 in milk, yoghurt, soybean oil and margarine showed CVs between ±1.0 and 6.4 %. The results prove that modern planar chromatography is a rapid and cost-efficient alternative method to quantify ITX in milk-based or fatty matrices. Only positive results are confirmed by online ESI/MS in the SIM mode (LOQ 128 pg) and by DART/MS involving a minimal employment of the MS device, which is a further advantage of HPTLC. Overall mean recovery rates of ITX at 20 or 50 and 100 μg kg−1 (n=8) were 41 % for milk, 70 % for yoghurt, 6 % for margarine and 12 % for soy bean oil. However, with the internal standard correction recoveries were about 130 % for milk and yoghurt and 70 and 97 % for margarine and soy bean oil, respectively.\n
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\n \n\n \n \n \n \n \n The use of recently described ionization techniques for the rapid analysis of some common drugs and samples of biological origin.\n \n \n \n\n\n \n Williams, J.; Patel, V.; Holland, R.; and Scrivens, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 20(9): 1447–1456. 2006.\n 00000\n\n\n\n
\n\n\n\n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{williams_use_2006,\n\ttitle = {The use of recently described ionization techniques for the rapid analysis of some common drugs and samples of biological origin},\n\tvolume = {20},\n\tdoi = {10.1002/rcm.2470},\n\tabstract = {Three ionisation techniques that require no sample preparation or extraction prior to mass analysis have been used for the rapid analysis of pharmaceutical tablets and ointments. These methods were (i) the novel direct analysis in real time (DART), (ii) desorption electrospray ionisation (DESI), and (iii) desorption atmospheric pressure chemical ionisation (DAPCI). The performance of the three techniques was investigated for a number of common drugs. Significant differences between these approaches were observed. For compounds of moderate to low polarity DAPCI produced more effective ionisation. Accurate DESI and DAPCI tandem mass spectra were obtained and these greatly enhance the selectivity and information content of the experiment. The detection from human skin of the active ingredients from ointments is reported together with the detection of ibuprofen metabolites in human urine.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Williams, J.P. and Patel, V.J. and Holland, R. and Scrivens, J.H.},\n\tyear = {2006},\n\tnote = {00000},\n\tpages = {1447--1456},\n}\n\n\n\n
\n
\n\n\n
\n Three ionisation techniques that require no sample preparation or extraction prior to mass analysis have been used for the rapid analysis of pharmaceutical tablets and ointments. These methods were (i) the novel direct analysis in real time (DART), (ii) desorption electrospray ionisation (DESI), and (iii) desorption atmospheric pressure chemical ionisation (DAPCI). The performance of the three techniques was investigated for a number of common drugs. Significant differences between these approaches were observed. For compounds of moderate to low polarity DAPCI produced more effective ionisation. Accurate DESI and DAPCI tandem mass spectra were obtained and these greatly enhance the selectivity and information content of the experiment. The detection from human skin of the active ingredients from ointments is reported together with the detection of ibuprofen metabolites in human urine.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Characterization of Solid Counterfeit Drug Samples by Desorption Electrospray Ionization and Direct-analysis-in-real-time Coupled to Time-of-flight Mass Spectrometry.\n \n \n \n \n\n\n \n Fernández, F. M.; Cody, R. B; Green, M. D; Hampton, C. Y; McGready, R.; Sengaloundeth, S.; White, N. J; and Newton, P. N\n\n\n \n\n\n\n ChemMedChem, 1(7): 702–705. 2006.\n \n\n\n\n
\n\n\n\n \n \n \"CharacterizationPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n\n\n\n
\n
@article{fernandez_characterization_2006,\n\ttitle = {Characterization of {Solid} {Counterfeit} {Drug} {Samples} by {Desorption} {Electrospray} {Ionization} and {Direct}-analysis-in-real-time {Coupled} to {Time}-of-flight {Mass} {Spectrometry}},\n\tvolume = {1},\n\tissn = {1860-7187},\n\turl = {internal-pdf://ChemMedChem_2006_1_702-705-2895030815/ChemMedChem_2006_1_702-705.pdf},\n\tnumber = {7},\n\tjournal = {ChemMedChem},\n\tauthor = {Fernández, Facundo M. and Cody, Robert B and Green, Michael D and Hampton, Christina Y and McGready, Rose and Sengaloundeth, Sivong and White, Nicholas J and Newton, Paul N},\n\tyear = {2006},\n\tkeywords = {AccuTOF, DART;, DESI;},\n\tpages = {702--705},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Determination of isopropylthioxanthone (ITX) in milk, yoghurt and fat by HPTLC-FLD, HPTLC-ESI/MS and HPTLC-DART/MS.\n \n \n \n \n\n\n \n Morlock, G.; and Schwack, W.\n\n\n \n\n\n\n Analytical and Bioanalytical Chemistry, 385(3): 586–595. 2006.\n \n\n\n\n
\n\n\n\n \n \n \"DeterminationPaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
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@article{morlock_determination_2006,\n\ttitle = {Determination of isopropylthioxanthone ({ITX}) in milk, yoghurt and fat by {HPTLC}-{FLD}, {HPTLC}-{ESI}/{MS} and {HPTLC}-{DART}/{MS}},\n\tvolume = {385},\n\tissn = {1618-2642 (Print) 1618-2650 (Online)},\n\turl = {internal-pdf://Anal_Bioanal_Chem_2006_385_586-595-2710563871/Anal_Bioanal_Chem_2006_385_586-595.pdf},\n\tdoi = {10.1007/s00216-006-0430-5},\n\tabstract = {Two new HPTLC methods for quantification of isopropyl-9H-thioxanthen-9-one (ITX) in milk, yoghurt and fat samples have been developed. Extraction of ITX from milk and yoghurt was performed with a mixture of cyclohexane and ethyl acetate by employment of accelerated solvent extraction (ASE). For soy bean oil and margarine, a simple partitioning of ITX into acetonitrile was used. ITX and 2,4-diethyl-9H-thioxanthen-9-one (DTX) used as internal standard have been separated on silica gel 60 HPTLC plates with a mixture of toluene and n-hexane (4:1, v/v) and on RP18 HPTLC plates with a mixture of acetonitrile and water (9:1, v/v). Development was performed anti-parallel from both plate sides leading to a throughput of 36 separations in 7 min. Fluorescence measurement at 254/{\\textbackslash}textgreater400 nm was used for quantification. Limits of detection (S/N of 3) have been established to be 64 pg for ITX and DTX on both types of HPTLC plates. In fatty matrix (spiked butter) LOD of ITX was determined to be 1 μg kg−1. In the working range monitored (20–200 μg kg−1) polynomial regression of ITX showed a relative standard deviation (sdv) of ±1.51 \\% (r=0.99981). Starting with the limit of quantification the response was linear (sdv=±2.18 \\%, r=0.99893). Regarding repeatability (n=9) a coefficient of variation (CV) of 1.1 \\% was obtained for ITX at 32 ng on silica gel plates and of 2.9 \\% on reversed-phase plates. Repeatabilities (n=4) of ITX determination at 20, 50 and 100 μg kg−1 in milk, yoghurt, soybean oil and margarine showed CVs between ±1.0 and 6.4 \\%. The results prove that modern planar chromatography is a rapid and cost-efficient alternative method to quantify ITX in milk-based or fatty matrices. Only positive results are confirmed by online ESI/MS in the SIM mode (LOQ 128 pg) and by DART/MS involving a minimal employment of the MS device, which is a further advantage of HPTLC. Overall mean recovery rates of ITX at 20 or 50 and 100 μg kg−1 (n=8) were 41 \\% for milk, 70 \\% for yoghurt, 6 \\% for margarine and 12 \\% for soy bean oil. However, with the internal standard correction recoveries were about 130 \\% for milk and yoghurt and 70 and 97 \\% for margarine and soy bean oil, respectively.},\n\tnumber = {3},\n\tjournal = {Analytical and Bioanalytical Chemistry},\n\tauthor = {Morlock, G. and Schwack, W.},\n\tyear = {2006},\n\tkeywords = {4-Diethyl-9H-thioxanthen-9-one (DTX); HPTLC-ESI/MS; HPTLC-DART/MS; AccuTOF, Planar chromatography; Isopropyl-9H-thioxanthen-9-one (ITX); 2},\n\tpages = {586--595},\n}\n\n\n\n
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\n Two new HPTLC methods for quantification of isopropyl-9H-thioxanthen-9-one (ITX) in milk, yoghurt and fat samples have been developed. Extraction of ITX from milk and yoghurt was performed with a mixture of cyclohexane and ethyl acetate by employment of accelerated solvent extraction (ASE). For soy bean oil and margarine, a simple partitioning of ITX into acetonitrile was used. ITX and 2,4-diethyl-9H-thioxanthen-9-one (DTX) used as internal standard have been separated on silica gel 60 HPTLC plates with a mixture of toluene and n-hexane (4:1, v/v) and on RP18 HPTLC plates with a mixture of acetonitrile and water (9:1, v/v). Development was performed anti-parallel from both plate sides leading to a throughput of 36 separations in 7 min. Fluorescence measurement at 254/\\textgreater400 nm was used for quantification. Limits of detection (S/N of 3) have been established to be 64 pg for ITX and DTX on both types of HPTLC plates. In fatty matrix (spiked butter) LOD of ITX was determined to be 1 μg kg−1. In the working range monitored (20–200 μg kg−1) polynomial regression of ITX showed a relative standard deviation (sdv) of ±1.51 % (r=0.99981). Starting with the limit of quantification the response was linear (sdv=±2.18 %, r=0.99893). Regarding repeatability (n=9) a coefficient of variation (CV) of 1.1 % was obtained for ITX at 32 ng on silica gel plates and of 2.9 % on reversed-phase plates. Repeatabilities (n=4) of ITX determination at 20, 50 and 100 μg kg−1 in milk, yoghurt, soybean oil and margarine showed CVs between ±1.0 and 6.4 %. The results prove that modern planar chromatography is a rapid and cost-efficient alternative method to quantify ITX in milk-based or fatty matrices. Only positive results are confirmed by online ESI/MS in the SIM mode (LOQ 128 pg) and by DART/MS involving a minimal employment of the MS device, which is a further advantage of HPTLC. Overall mean recovery rates of ITX at 20 or 50 and 100 μg kg−1 (n=8) were 41 % for milk, 70 % for yoghurt, 6 % for margarine and 12 % for soy bean oil. However, with the internal standard correction recoveries were about 130 % for milk and yoghurt and 70 and 97 % for margarine and soy bean oil, respectively.\n
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\n \n\n \n \n \n \n \n \n Differentiating Writing Inks Using Direct Analysis in Real Time Mass Spectrometry.\n \n \n \n \n\n\n \n Jones, R. W.; Cody, R. B.; and McClelland, J. F.\n\n\n \n\n\n\n Journal of Forensic Sciences, 51(4): 915–918. 2006.\n \n\n\n\n
\n\n\n\n \n \n \"DifferentiatingPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{jones_differentiating_2006,\n\ttitle = {Differentiating {Writing} {Inks} {Using} {Direct} {Analysis} in {Real} {Time} {Mass} {Spectrometry}},\n\tvolume = {51},\n\tissn = {1556-4029},\n\turl = {internal-pdf://JFS_2006_51_915-918-0613363231/JFS_2006_51_915-918.PDF},\n\tabstract = {ABSTRACT: Writing ink analysis is used in establishing document authenticity and the sources and relative ages of written entries. Most analytical methods require removing samples or visibly altering the document. Nondestructive, in situ analysis of writing inks on paper without visible alteration is possible using mass spectrometry with a new ion source called Direct Analysis in Real Time. Forty-three different black and blue ballpoint, black fluid, and black gel inks were examined. Both dyes and persistent but thermally labile components of the inks contribute to the mass spectra, principally as protonated molecules [M+H]+. Numerous ink components were identified from the spectra. The spectra were placed in a searchable library, which was then challenged with two spectra from each of the 43 inks. The best match for each of the challenge spectra was correct for all but one ink, which matched with a very similar ink by the same manufacturer.},\n\tnumber = {4},\n\tjournal = {Journal of Forensic Sciences},\n\tauthor = {Jones, Roger W. and Cody, Robert B. and McClelland, John F.},\n\tyear = {2006},\n\tkeywords = {AccuTOF},\n\tpages = {915--918},\n}\n\n\n\n
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\n ABSTRACT: Writing ink analysis is used in establishing document authenticity and the sources and relative ages of written entries. Most analytical methods require removing samples or visibly altering the document. Nondestructive, in situ analysis of writing inks on paper without visible alteration is possible using mass spectrometry with a new ion source called Direct Analysis in Real Time. Forty-three different black and blue ballpoint, black fluid, and black gel inks were examined. Both dyes and persistent but thermally labile components of the inks contribute to the mass spectra, principally as protonated molecules [M+H]+. Numerous ink components were identified from the spectra. The spectra were placed in a searchable library, which was then challenged with two spectra from each of the 43 inks. The best match for each of the challenge spectra was correct for all but one ink, which matched with a very similar ink by the same manufacturer.\n
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\n \n\n \n \n \n \n \n \n The use of recently described ionization techniques for the rapid analysis of some common drugs and samples of biological origin.\n \n \n \n \n\n\n \n Williams, J.; Patel, V.; Holland, R.; and Scrivens, J.\n\n\n \n\n\n\n Rapid Communications in Mass Spectrometry, 20(9): 1447–1456. 2006.\n \n\n\n\n
\n\n\n\n \n \n \"ThePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@article{williams_use_2006,\n\ttitle = {The use of recently described ionization techniques for the rapid analysis of some common drugs and samples of biological origin},\n\tvolume = {20},\n\turl = {internal-pdf://RCM_2006_20_1447-1456-1469079071/RCM_2006_20_1447-1456.pdf},\n\tdoi = {10.1002/rcm.2470},\n\tabstract = {Three ionisation techniques that require no sample preparation or extraction prior to mass analysis have been used for the rapid analysis of pharmaceutical tablets and ointments. These methods were (i) the novel direct analysis in real time (DART), (ii) desorption electrospray ionisation (DESI), and (iii) desorption atmospheric pressure chemical ionisation (DAPCI). The performance of the three techniques was investigated for a number of common drugs. Significant differences between these approaches were observed. For compounds of moderate to low polarity DAPCI produced more effective ionisation. Accurate DESI and DAPCI tandem mass spectra were obtained and these greatly enhance the selectivity and information content of the experiment. The detection from human skin of the active ingredients from ointments is reported together with the detection of ibuprofen metabolites in human urine.},\n\tnumber = {9},\n\tjournal = {Rapid Communications in Mass Spectrometry},\n\tauthor = {Williams, J.P. and Patel, V.J. and Holland, R. and Scrivens, J.H.},\n\tyear = {2006},\n\tpages = {1447--1456},\n}\n\n\n\n
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\n Three ionisation techniques that require no sample preparation or extraction prior to mass analysis have been used for the rapid analysis of pharmaceutical tablets and ointments. These methods were (i) the novel direct analysis in real time (DART), (ii) desorption electrospray ionisation (DESI), and (iii) desorption atmospheric pressure chemical ionisation (DAPCI). The performance of the three techniques was investigated for a number of common drugs. Significant differences between these approaches were observed. For compounds of moderate to low polarity DAPCI produced more effective ionisation. Accurate DESI and DAPCI tandem mass spectra were obtained and these greatly enhance the selectivity and information content of the experiment. The detection from human skin of the active ingredients from ointments is reported together with the detection of ibuprofen metabolites in human urine.\n
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\n  \n 2005\n \n \n (9)\n \n \n
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\n \n\n \n \n \n \n \n Versatile New Ion Source for the Analysis of Materials in Open Air under Ambient Conditions.\n \n \n \n\n\n \n Cody, R. B.; Laramee, J. A.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 77(8): 2297–2302. 2005.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cody_versatile_2005,\n\ttitle = {Versatile {New} {Ion} {Source} for the {Analysis} of {Materials} in {Open} {Air} under {Ambient} {Conditions}},\n\tvolume = {77},\n\tissn = {0003-2700},\n\tabstract = {Abstract: A new ion source has been developed for rapid, noncontact analysis of materials at ambient pressure and at ground potential. The new source, termed DART (for "Direct Analysis in Real Time"), is based on the reactions of electronic or vibronic excited-state species with reagent molecules and polar or nonpolar analytes. DART has been installed on a high-resolution time-of-flight mass spectrometer (TOFMS) that provides improved selectivity and accurate elemental composition assignment through exact mass measurements. Although DART has been applied to the analysis of gases, liquids, and solids, a unique application is the direct detection of chemicals on surfaces without requiring sample preparation, such as wiping or solvent extraction. DART has demonstrated success in sampling hundreds of chemicals, including chemical agents and their signatures, pharmaceutics, metabolites, peptides and oligosaccharides, synthetic organics, organometallics, drugs of abuse, explosives, and toxic industrial chemicals. These species were detected on various surfaces, such as concrete, asphalt, human skin, currency, airline boarding passes, business cards, fruits, vegetables, spices, beverages, body fluids, horticultural leaves, cocktail glasses, and clothing. DART employs no radioactive components and is more versatile than devices using radioisotope-based ionization. Because its response is instantaneous, DART provides real-time information, a critical requirement for screening or high throughput.},\n\tnumber = {8},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Cody, R. B. and Laramee, J. A. and Durst, H. D.},\n\tyear = {2005},\n\tkeywords = {DART; AccuTOF},\n\tpages = {2297--2302},\n}\n\n\n\n\n\n\n\n
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\n Abstract: A new ion source has been developed for rapid, noncontact analysis of materials at ambient pressure and at ground potential. The new source, termed DART (for \"Direct Analysis in Real Time\"), is based on the reactions of electronic or vibronic excited-state species with reagent molecules and polar or nonpolar analytes. DART has been installed on a high-resolution time-of-flight mass spectrometer (TOFMS) that provides improved selectivity and accurate elemental composition assignment through exact mass measurements. Although DART has been applied to the analysis of gases, liquids, and solids, a unique application is the direct detection of chemicals on surfaces without requiring sample preparation, such as wiping or solvent extraction. DART has demonstrated success in sampling hundreds of chemicals, including chemical agents and their signatures, pharmaceutics, metabolites, peptides and oligosaccharides, synthetic organics, organometallics, drugs of abuse, explosives, and toxic industrial chemicals. These species were detected on various surfaces, such as concrete, asphalt, human skin, currency, airline boarding passes, business cards, fruits, vegetables, spices, beverages, body fluids, horticultural leaves, cocktail glasses, and clothing. DART employs no radioactive components and is more versatile than devices using radioisotope-based ionization. Because its response is instantaneous, DART provides real-time information, a critical requirement for screening or high throughput.\n
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\n \n\n \n \n \n \n \n Versatile New Ion Source for the Analysis of Materials in Open Air under Ambient Conditions.\n \n \n \n\n\n \n Cody, R. B.; Laramee, J. A.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 77(8): 2297–2302. 2005.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cody_versatile_2005,\n\ttitle = {Versatile {New} {Ion} {Source} for the {Analysis} of {Materials} in {Open} {Air} under {Ambient} {Conditions}},\n\tvolume = {77},\n\tissn = {0003-2700},\n\tabstract = {Abstract: A new ion source has been developed for rapid, noncontact analysis of materials at ambient pressure and at ground potential. The new source, termed DART (for "Direct Analysis in Real Time"), is based on the reactions of electronic or vibronic excited-state species with reagent molecules and polar or nonpolar analytes. DART has been installed on a high-resolution time-of-flight mass spectrometer (TOFMS) that provides improved selectivity and accurate elemental composition assignment through exact mass measurements. Although DART has been applied to the analysis of gases, liquids, and solids, a unique application is the direct detection of chemicals on surfaces without requiring sample preparation, such as wiping or solvent extraction. DART has demonstrated success in sampling hundreds of chemicals, including chemical agents and their signatures, pharmaceutics, metabolites, peptides and oligosaccharides, synthetic organics, organometallics, drugs of abuse, explosives, and toxic industrial chemicals. These species were detected on various surfaces, such as concrete, asphalt, human skin, currency, airline boarding passes, business cards, fruits, vegetables, spices, beverages, body fluids, horticultural leaves, cocktail glasses, and clothing. DART employs no radioactive components and is more versatile than devices using radioisotope-based ionization. Because its response is instantaneous, DART provides real-time information, a critical requirement for screening or high throughput.},\n\tnumber = {8},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Cody, R. B. and Laramee, J. A. and Durst, H. D.},\n\tyear = {2005},\n\tkeywords = {DART; AccuTOF},\n\tpages = {2297--2302},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n Abstract: A new ion source has been developed for rapid, noncontact analysis of materials at ambient pressure and at ground potential. The new source, termed DART (for \"Direct Analysis in Real Time\"), is based on the reactions of electronic or vibronic excited-state species with reagent molecules and polar or nonpolar analytes. DART has been installed on a high-resolution time-of-flight mass spectrometer (TOFMS) that provides improved selectivity and accurate elemental composition assignment through exact mass measurements. Although DART has been applied to the analysis of gases, liquids, and solids, a unique application is the direct detection of chemicals on surfaces without requiring sample preparation, such as wiping or solvent extraction. DART has demonstrated success in sampling hundreds of chemicals, including chemical agents and their signatures, pharmaceutics, metabolites, peptides and oligosaccharides, synthetic organics, organometallics, drugs of abuse, explosives, and toxic industrial chemicals. These species were detected on various surfaces, such as concrete, asphalt, human skin, currency, airline boarding passes, business cards, fruits, vegetables, spices, beverages, body fluids, horticultural leaves, cocktail glasses, and clothing. DART employs no radioactive components and is more versatile than devices using radioisotope-based ionization. Because its response is instantaneous, DART provides real-time information, a critical requirement for screening or high throughput.\n
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\n \n\n \n \n \n \n \n Versatile New Ion Source for the Analysis of Materials in Open Air under Ambient Conditions.\n \n \n \n\n\n \n Cody, R. B.; Laramee, J. A.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 77(8): 2297–2302. 2005.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cody_versatile_2005,\n\ttitle = {Versatile {New} {Ion} {Source} for the {Analysis} of {Materials} in {Open} {Air} under {Ambient} {Conditions}},\n\tvolume = {77},\n\tissn = {0003-2700},\n\tabstract = {Abstract: A new ion source has been developed for rapid, noncontact analysis of materials at ambient pressure and at ground potential. The new source, termed DART (for "Direct Analysis in Real Time"), is based on the reactions of electronic or vibronic excited-state species with reagent molecules and polar or nonpolar analytes. DART has been installed on a high-resolution time-of-flight mass spectrometer (TOFMS) that provides improved selectivity and accurate elemental composition assignment through exact mass measurements. Although DART has been applied to the analysis of gases, liquids, and solids, a unique application is the direct detection of chemicals on surfaces without requiring sample preparation, such as wiping or solvent extraction. DART has demonstrated success in sampling hundreds of chemicals, including chemical agents and their signatures, pharmaceutics, metabolites, peptides and oligosaccharides, synthetic organics, organometallics, drugs of abuse, explosives, and toxic industrial chemicals. These species were detected on various surfaces, such as concrete, asphalt, human skin, currency, airline boarding passes, business cards, fruits, vegetables, spices, beverages, body fluids, horticultural leaves, cocktail glasses, and clothing. DART employs no radioactive components and is more versatile than devices using radioisotope-based ionization. Because its response is instantaneous, DART provides real-time information, a critical requirement for screening or high throughput.},\n\tnumber = {8},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Cody, R. B. and Laramee, J. A. and Durst, H. D.},\n\tyear = {2005},\n\tkeywords = {DART; AccuTOF},\n\tpages = {2297--2302},\n}\n\n\n\n
\n
\n\n\n
\n Abstract: A new ion source has been developed for rapid, noncontact analysis of materials at ambient pressure and at ground potential. The new source, termed DART (for \"Direct Analysis in Real Time\"), is based on the reactions of electronic or vibronic excited-state species with reagent molecules and polar or nonpolar analytes. DART has been installed on a high-resolution time-of-flight mass spectrometer (TOFMS) that provides improved selectivity and accurate elemental composition assignment through exact mass measurements. Although DART has been applied to the analysis of gases, liquids, and solids, a unique application is the direct detection of chemicals on surfaces without requiring sample preparation, such as wiping or solvent extraction. DART has demonstrated success in sampling hundreds of chemicals, including chemical agents and their signatures, pharmaceutics, metabolites, peptides and oligosaccharides, synthetic organics, organometallics, drugs of abuse, explosives, and toxic industrial chemicals. These species were detected on various surfaces, such as concrete, asphalt, human skin, currency, airline boarding passes, business cards, fruits, vegetables, spices, beverages, body fluids, horticultural leaves, cocktail glasses, and clothing. DART employs no radioactive components and is more versatile than devices using radioisotope-based ionization. Because its response is instantaneous, DART provides real-time information, a critical requirement for screening or high throughput.\n
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\n \n\n \n \n \n \n \n Versatile New Ion Source for the Analysis of Materials in Open Air under Ambient Conditions.\n \n \n \n\n\n \n Cody, R. B.; Laramee, J. A.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 77(8): 2297–2302. 2005.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cody_versatile_2005,\n\ttitle = {Versatile {New} {Ion} {Source} for the {Analysis} of {Materials} in {Open} {Air} under {Ambient} {Conditions}},\n\tvolume = {77},\n\tissn = {0003-2700},\n\tabstract = {Abstract: A new ion source has been developed for rapid, noncontact analysis of materials at ambient pressure and at ground potential. The new source, termed DART (for "Direct Analysis in Real Time"), is based on the reactions of electronic or vibronic excited-state species with reagent molecules and polar or nonpolar analytes. DART has been installed on a high-resolution time-of-flight mass spectrometer (TOFMS) that provides improved selectivity and accurate elemental composition assignment through exact mass measurements. Although DART has been applied to the analysis of gases, liquids, and solids, a unique application is the direct detection of chemicals on surfaces without requiring sample preparation, such as wiping or solvent extraction. DART has demonstrated success in sampling hundreds of chemicals, including chemical agents and their signatures, pharmaceutics, metabolites, peptides and oligosaccharides, synthetic organics, organometallics, drugs of abuse, explosives, and toxic industrial chemicals. These species were detected on various surfaces, such as concrete, asphalt, human skin, currency, airline boarding passes, business cards, fruits, vegetables, spices, beverages, body fluids, horticultural leaves, cocktail glasses, and clothing. DART employs no radioactive components and is more versatile than devices using radioisotope-based ionization. Because its response is instantaneous, DART provides real-time information, a critical requirement for screening or high throughput.},\n\tnumber = {8},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Cody, R. B. and Laramee, J. A. and Durst, H. D.},\n\tyear = {2005},\n\tkeywords = {DART; AccuTOF},\n\tpages = {2297--2302},\n}\n\n\n\n\n\n\n\n
\n
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\n Abstract: A new ion source has been developed for rapid, noncontact analysis of materials at ambient pressure and at ground potential. The new source, termed DART (for \"Direct Analysis in Real Time\"), is based on the reactions of electronic or vibronic excited-state species with reagent molecules and polar or nonpolar analytes. DART has been installed on a high-resolution time-of-flight mass spectrometer (TOFMS) that provides improved selectivity and accurate elemental composition assignment through exact mass measurements. Although DART has been applied to the analysis of gases, liquids, and solids, a unique application is the direct detection of chemicals on surfaces without requiring sample preparation, such as wiping or solvent extraction. DART has demonstrated success in sampling hundreds of chemicals, including chemical agents and their signatures, pharmaceutics, metabolites, peptides and oligosaccharides, synthetic organics, organometallics, drugs of abuse, explosives, and toxic industrial chemicals. These species were detected on various surfaces, such as concrete, asphalt, human skin, currency, airline boarding passes, business cards, fruits, vegetables, spices, beverages, body fluids, horticultural leaves, cocktail glasses, and clothing. DART employs no radioactive components and is more versatile than devices using radioisotope-based ionization. Because its response is instantaneous, DART provides real-time information, a critical requirement for screening or high throughput.\n
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\n \n\n \n \n \n \n \n Versatile New Ion Source for the Analysis of Materials in Open Air under Ambient Conditions.\n \n \n \n\n\n \n Cody, R. B.; Laramee, J. A.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 77(8): 2297–2302. 2005.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cody_versatile_2005,\n\ttitle = {Versatile {New} {Ion} {Source} for the {Analysis} of {Materials} in {Open} {Air} under {Ambient} {Conditions}},\n\tvolume = {77},\n\tissn = {0003-2700},\n\tabstract = {Abstract: A new ion source has been developed for rapid, noncontact analysis of materials at ambient pressure and at ground potential. The new source, termed DART (for "Direct Analysis in Real Time"), is based on the reactions of electronic or vibronic excited-state species with reagent molecules and polar or nonpolar analytes. DART has been installed on a high-resolution time-of-flight mass spectrometer (TOFMS) that provides improved selectivity and accurate elemental composition assignment through exact mass measurements. Although DART has been applied to the analysis of gases, liquids, and solids, a unique application is the direct detection of chemicals on surfaces without requiring sample preparation, such as wiping or solvent extraction. DART has demonstrated success in sampling hundreds of chemicals, including chemical agents and their signatures, pharmaceutics, metabolites, peptides and oligosaccharides, synthetic organics, organometallics, drugs of abuse, explosives, and toxic industrial chemicals. These species were detected on various surfaces, such as concrete, asphalt, human skin, currency, airline boarding passes, business cards, fruits, vegetables, spices, beverages, body fluids, horticultural leaves, cocktail glasses, and clothing. DART employs no radioactive components and is more versatile than devices using radioisotope-based ionization. Because its response is instantaneous, DART provides real-time information, a critical requirement for screening or high throughput.},\n\tnumber = {8},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Cody, R. B. and Laramee, J. A. and Durst, H. D.},\n\tyear = {2005},\n\tkeywords = {DART; AccuTOF},\n\tpages = {2297--2302},\n}\n\n\n\n
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\n Abstract: A new ion source has been developed for rapid, noncontact analysis of materials at ambient pressure and at ground potential. The new source, termed DART (for \"Direct Analysis in Real Time\"), is based on the reactions of electronic or vibronic excited-state species with reagent molecules and polar or nonpolar analytes. DART has been installed on a high-resolution time-of-flight mass spectrometer (TOFMS) that provides improved selectivity and accurate elemental composition assignment through exact mass measurements. Although DART has been applied to the analysis of gases, liquids, and solids, a unique application is the direct detection of chemicals on surfaces without requiring sample preparation, such as wiping or solvent extraction. DART has demonstrated success in sampling hundreds of chemicals, including chemical agents and their signatures, pharmaceutics, metabolites, peptides and oligosaccharides, synthetic organics, organometallics, drugs of abuse, explosives, and toxic industrial chemicals. These species were detected on various surfaces, such as concrete, asphalt, human skin, currency, airline boarding passes, business cards, fruits, vegetables, spices, beverages, body fluids, horticultural leaves, cocktail glasses, and clothing. DART employs no radioactive components and is more versatile than devices using radioisotope-based ionization. Because its response is instantaneous, DART provides real-time information, a critical requirement for screening or high throughput.\n
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\n \n\n \n \n \n \n \n Versatile New Ion Source for the Analysis of Materials in Open Air under Ambient Conditions.\n \n \n \n\n\n \n Cody, R. B.; Laramee, J. A.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 77(8): 2297–2302. 2005.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
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@article{cody_versatile_2005,\n\ttitle = {Versatile {New} {Ion} {Source} for the {Analysis} of {Materials} in {Open} {Air} under {Ambient} {Conditions}},\n\tvolume = {77},\n\tissn = {0003-2700},\n\tabstract = {Abstract: A new ion source has been developed for rapid, noncontact analysis of materials at ambient pressure and at ground potential. The new source, termed DART (for "Direct Analysis in Real Time"), is based on the reactions of electronic or vibronic excited-state species with reagent molecules and polar or nonpolar analytes. DART has been installed on a high-resolution time-of-flight mass spectrometer (TOFMS) that provides improved selectivity and accurate elemental composition assignment through exact mass measurements. Although DART has been applied to the analysis of gases, liquids, and solids, a unique application is the direct detection of chemicals on surfaces without requiring sample preparation, such as wiping or solvent extraction. DART has demonstrated success in sampling hundreds of chemicals, including chemical agents and their signatures, pharmaceutics, metabolites, peptides and oligosaccharides, synthetic organics, organometallics, drugs of abuse, explosives, and toxic industrial chemicals. These species were detected on various surfaces, such as concrete, asphalt, human skin, currency, airline boarding passes, business cards, fruits, vegetables, spices, beverages, body fluids, horticultural leaves, cocktail glasses, and clothing. DART employs no radioactive components and is more versatile than devices using radioisotope-based ionization. Because its response is instantaneous, DART provides real-time information, a critical requirement for screening or high throughput.},\n\tnumber = {8},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Cody, R. B. and Laramee, J. A. and Durst, H. D.},\n\tyear = {2005},\n\tkeywords = {DART; AccuTOF},\n\tpages = {2297--2302},\n}\n\n\n\n
\n
\n\n\n
\n Abstract: A new ion source has been developed for rapid, noncontact analysis of materials at ambient pressure and at ground potential. The new source, termed DART (for \"Direct Analysis in Real Time\"), is based on the reactions of electronic or vibronic excited-state species with reagent molecules and polar or nonpolar analytes. DART has been installed on a high-resolution time-of-flight mass spectrometer (TOFMS) that provides improved selectivity and accurate elemental composition assignment through exact mass measurements. Although DART has been applied to the analysis of gases, liquids, and solids, a unique application is the direct detection of chemicals on surfaces without requiring sample preparation, such as wiping or solvent extraction. DART has demonstrated success in sampling hundreds of chemicals, including chemical agents and their signatures, pharmaceutics, metabolites, peptides and oligosaccharides, synthetic organics, organometallics, drugs of abuse, explosives, and toxic industrial chemicals. These species were detected on various surfaces, such as concrete, asphalt, human skin, currency, airline boarding passes, business cards, fruits, vegetables, spices, beverages, body fluids, horticultural leaves, cocktail glasses, and clothing. DART employs no radioactive components and is more versatile than devices using radioisotope-based ionization. Because its response is instantaneous, DART provides real-time information, a critical requirement for screening or high throughput.\n
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\n\n\n
\n \n\n \n \n \n \n \n Versatile New Ion Source for the Analysis of Materials in Open Air under Ambient Conditions.\n \n \n \n\n\n \n Cody, R. B.; Laramee, J. A.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 77(8): 2297–2302. 2005.\n \n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cody_versatile_2005,\n\ttitle = {Versatile {New} {Ion} {Source} for the {Analysis} of {Materials} in {Open} {Air} under {Ambient} {Conditions}},\n\tvolume = {77},\n\tissn = {0003-2700},\n\tabstract = {Abstract: A new ion source has been developed for rapid, noncontact analysis of materials at ambient pressure and at ground potential. The new source, termed DART (for "Direct Analysis in Real Time"), is based on the reactions of electronic or vibronic excited-state species with reagent molecules and polar or nonpolar analytes. DART has been installed on a high-resolution time-of-flight mass spectrometer (TOFMS) that provides improved selectivity and accurate elemental composition assignment through exact mass measurements. Although DART has been applied to the analysis of gases, liquids, and solids, a unique application is the direct detection of chemicals on surfaces without requiring sample preparation, such as wiping or solvent extraction. DART has demonstrated success in sampling hundreds of chemicals, including chemical agents and their signatures, pharmaceutics, metabolites, peptides and oligosaccharides, synthetic organics, organometallics, drugs of abuse, explosives, and toxic industrial chemicals. These species were detected on various surfaces, such as concrete, asphalt, human skin, currency, airline boarding passes, business cards, fruits, vegetables, spices, beverages, body fluids, horticultural leaves, cocktail glasses, and clothing. DART employs no radioactive components and is more versatile than devices using radioisotope-based ionization. Because its response is instantaneous, DART provides real-time information, a critical requirement for screening or high throughput.},\n\tnumber = {8},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Cody, R. B. and Laramee, J. A. and Durst, H. D.},\n\tyear = {2005},\n\tkeywords = {DART; AccuTOF},\n\tpages = {2297--2302},\n}\n\n\n\n
\n
\n\n\n
\n Abstract: A new ion source has been developed for rapid, noncontact analysis of materials at ambient pressure and at ground potential. The new source, termed DART (for \"Direct Analysis in Real Time\"), is based on the reactions of electronic or vibronic excited-state species with reagent molecules and polar or nonpolar analytes. DART has been installed on a high-resolution time-of-flight mass spectrometer (TOFMS) that provides improved selectivity and accurate elemental composition assignment through exact mass measurements. Although DART has been applied to the analysis of gases, liquids, and solids, a unique application is the direct detection of chemicals on surfaces without requiring sample preparation, such as wiping or solvent extraction. DART has demonstrated success in sampling hundreds of chemicals, including chemical agents and their signatures, pharmaceutics, metabolites, peptides and oligosaccharides, synthetic organics, organometallics, drugs of abuse, explosives, and toxic industrial chemicals. These species were detected on various surfaces, such as concrete, asphalt, human skin, currency, airline boarding passes, business cards, fruits, vegetables, spices, beverages, body fluids, horticultural leaves, cocktail glasses, and clothing. DART employs no radioactive components and is more versatile than devices using radioisotope-based ionization. Because its response is instantaneous, DART provides real-time information, a critical requirement for screening or high throughput.\n
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\n \n\n \n \n \n \n \n Versatile New Ion Source for the Analysis of Materials in Open Air under Ambient Conditions.\n \n \n \n\n\n \n Cody, R. B.; Laramee, J. A.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 77(8): 2297–2302. 2005.\n 01257\n\n\n\n
\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n\n\n\n
\n
@article{cody_versatile_2005,\n\ttitle = {Versatile {New} {Ion} {Source} for the {Analysis} of {Materials} in {Open} {Air} under {Ambient} {Conditions}},\n\tvolume = {77},\n\tissn = {0003-2700},\n\tabstract = {Abstract: A new ion source has been developed for rapid, noncontact analysis of materials at ambient pressure and at ground potential. The new source, termed DART (for "Direct Analysis in Real Time"), is based on the reactions of electronic or vibronic excited-state species with reagent molecules and polar or nonpolar analytes. DART has been installed on a high-resolution time-of-flight mass spectrometer (TOFMS) that provides improved selectivity and accurate elemental composition assignment through exact mass measurements. Although DART has been applied to the analysis of gases, liquids, and solids, a unique application is the direct detection of chemicals on surfaces without requiring sample preparation, such as wiping or solvent extraction. DART has demonstrated success in sampling hundreds of chemicals, including chemical agents and their signatures, pharmaceutics, metabolites, peptides and oligosaccharides, synthetic organics, organometallics, drugs of abuse, explosives, and toxic industrial chemicals. These species were detected on various surfaces, such as concrete, asphalt, human skin, currency, airline boarding passes, business cards, fruits, vegetables, spices, beverages, body fluids, horticultural leaves, cocktail glasses, and clothing. DART employs no radioactive components and is more versatile than devices using radioisotope-based ionization. Because its response is instantaneous, DART provides real-time information, a critical requirement for screening or high throughput.},\n\tnumber = {8},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Cody, R. B. and Laramee, J. A. and Durst, H. D.},\n\tyear = {2005},\n\tnote = {01257},\n\tkeywords = {DART; AccuTOF},\n\tpages = {2297--2302},\n}\n\n\n\n
\n
\n\n\n
\n Abstract: A new ion source has been developed for rapid, noncontact analysis of materials at ambient pressure and at ground potential. The new source, termed DART (for \"Direct Analysis in Real Time\"), is based on the reactions of electronic or vibronic excited-state species with reagent molecules and polar or nonpolar analytes. DART has been installed on a high-resolution time-of-flight mass spectrometer (TOFMS) that provides improved selectivity and accurate elemental composition assignment through exact mass measurements. Although DART has been applied to the analysis of gases, liquids, and solids, a unique application is the direct detection of chemicals on surfaces without requiring sample preparation, such as wiping or solvent extraction. DART has demonstrated success in sampling hundreds of chemicals, including chemical agents and their signatures, pharmaceutics, metabolites, peptides and oligosaccharides, synthetic organics, organometallics, drugs of abuse, explosives, and toxic industrial chemicals. These species were detected on various surfaces, such as concrete, asphalt, human skin, currency, airline boarding passes, business cards, fruits, vegetables, spices, beverages, body fluids, horticultural leaves, cocktail glasses, and clothing. DART employs no radioactive components and is more versatile than devices using radioisotope-based ionization. Because its response is instantaneous, DART provides real-time information, a critical requirement for screening or high throughput.\n
\n\n\n
\n\n\n
\n \n\n \n \n \n \n \n \n Versatile New Ion Source for the Analysis of Materials in Open Air under Ambient Conditions.\n \n \n \n \n\n\n \n Cody, R. B.; Laramee, J. A.; and Durst, H. D.\n\n\n \n\n\n\n Analytical Chemistry, 77(8): 2297–2302. 2005.\n \n\n\n\n
\n\n\n\n \n \n \"VersatilePaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n\n\n\n
\n
@article{cody_versatile_2005,\n\ttitle = {Versatile {New} {Ion} {Source} for the {Analysis} of {Materials} in {Open} {Air} under {Ambient} {Conditions}},\n\tvolume = {77},\n\tissn = {0003-2700},\n\turl = {internal-pdf://Anal_Chem_2005_77_2297-2302-2710419231/Anal_Chem_2005_77_2297-2302.pdf},\n\tabstract = {Abstract: A new ion source has been developed for rapid, noncontact analysis of materials at ambient pressure and at ground potential. The new source, termed DART (for "Direct Analysis in Real Time"), is based on the reactions of electronic or vibronic excited-state species with reagent molecules and polar or nonpolar analytes. DART has been installed on a high-resolution time-of-flight mass spectrometer (TOFMS) that provides improved selectivity and accurate elemental composition assignment through exact mass measurements. Although DART has been applied to the analysis of gases, liquids, and solids, a unique application is the direct detection of chemicals on surfaces without requiring sample preparation, such as wiping or solvent extraction. DART has demonstrated success in sampling hundreds of chemicals, including chemical agents and their signatures, pharmaceutics, metabolites, peptides and oligosaccharides, synthetic organics, organometallics, drugs of abuse, explosives, and toxic industrial chemicals. These species were detected on various surfaces, such as concrete, asphalt, human skin, currency, airline boarding passes, business cards, fruits, vegetables, spices, beverages, body fluids, horticultural leaves, cocktail glasses, and clothing. DART employs no radioactive components and is more versatile than devices using radioisotope-based ionization. Because its response is instantaneous, DART provides real-time information, a critical requirement for screening or high throughput.},\n\tnumber = {8},\n\tjournal = {Analytical Chemistry},\n\tauthor = {Cody, R. B. and Laramee, J. A. and Durst, H. D.},\n\tyear = {2005},\n\tkeywords = {AccuTOF, DART;},\n\tpages = {2297--2302},\n}\n\n\n\n
\n
\n\n\n
\n Abstract: A new ion source has been developed for rapid, noncontact analysis of materials at ambient pressure and at ground potential. The new source, termed DART (for \"Direct Analysis in Real Time\"), is based on the reactions of electronic or vibronic excited-state species with reagent molecules and polar or nonpolar analytes. DART has been installed on a high-resolution time-of-flight mass spectrometer (TOFMS) that provides improved selectivity and accurate elemental composition assignment through exact mass measurements. Although DART has been applied to the analysis of gases, liquids, and solids, a unique application is the direct detection of chemicals on surfaces without requiring sample preparation, such as wiping or solvent extraction. DART has demonstrated success in sampling hundreds of chemicals, including chemical agents and their signatures, pharmaceutics, metabolites, peptides and oligosaccharides, synthetic organics, organometallics, drugs of abuse, explosives, and toxic industrial chemicals. These species were detected on various surfaces, such as concrete, asphalt, human skin, currency, airline boarding passes, business cards, fruits, vegetables, spices, beverages, body fluids, horticultural leaves, cocktail glasses, and clothing. DART employs no radioactive components and is more versatile than devices using radioisotope-based ionization. Because its response is instantaneous, DART provides real-time information, a critical requirement for screening or high throughput.\n
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\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n  \n \n 9 downloads\n \n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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\n \n\n \n \n \n \n \n \n Schnelleinstieg.\n \n \n \n \n\n\n \n Center for History; and Media, N.\n\n\n \n\n\n\n \n \n\n\n\n
\n\n\n\n \n \n \"SchnelleinstiegPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@misc{center_for_history_and_new_media_schnelleinstieg_nodate,\n\ttitle = {Schnelleinstieg},\n\turl = {http://zotero.org/support/quick_start_guide},\n\tauthor = {{Center for History and New Media}},\n}\n\n\n\n\n\n\n\n\n\n\n\n
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\n\n\n\n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n  \n \n 9 downloads\n \n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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\n \n\n \n \n \n \n \n \n Schnelleinstieg.\n \n \n \n \n\n\n \n Center for History; and Media, N.\n\n\n \n\n\n\n \n \n\n\n\n
\n\n\n\n \n \n \"SchnelleinstiegPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@misc{center_for_history_and_new_media_schnelleinstieg_nodate,\n\ttitle = {Schnelleinstieg},\n\turl = {http://zotero.org/support/quick_start_guide},\n\tauthor = {{Center for History and New Media}},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Schnelleinstieg.\n \n \n \n \n\n\n \n Center for History; and Media, N.\n\n\n \n\n\n\n \n \n\n\n\n
\n\n\n\n \n \n \"SchnelleinstiegPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@misc{center_for_history_and_new_media_schnelleinstieg_nodate,\n\ttitle = {Schnelleinstieg},\n\turl = {http://zotero.org/support/quick_start_guide},\n\tauthor = {{Center for History and New Media}},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n On-line coupling of macroporous resin column chromatography with direct analysis in real time mass spectrometry utilizing a surface flowing mode sample holder.\n \n \n \n \n\n\n \n Zeng, S.; Wang, L.; Chen, T.; and Qu, H.\n\n\n \n\n\n\n Analytica Chimica Acta, (0). .\n \n\n\n\n
\n\n\n\n \n \n \"On-linePaper\n  \n \n\n \n \n doi\n  \n \n\n \n link\n  \n \n\n bibtex\n \n\n \n  \n \n abstract \n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n \n \n \n \n \n \n \n \n \n \n\n\n\n
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@article{zeng_-line_nodate,\n\ttitle = {On-line coupling of macroporous resin column chromatography with direct analysis in real time mass spectrometry utilizing a surface flowing mode sample holder},\n\tissn = {0003-2670},\n\turl = {http://www.sciencedirect.com/science/article/pii/S0003267013015286},\n\tdoi = {10.1016/j.aca.2013.12.014},\n\tabstract = {Abstract\nA surface flowing mode sample holder was designed as an alternative sampling strategy for direct analysis in real time mass spectrometry (DART-MS). With the sample holder, the on-line coupling of macroporous resin column chromatography with DART-MS was explored and the then achieved through the sample holder. This new hyphenated system was employed to monitor the column chromatography elution process of Panax notoginseng's column chromatography. The effluent from macroporous resin column was first diluted and then mixed with a derivatization reagent on-line, and. After that, the mixture was then directly transferred into the ionization region of DART-MS by the sample holder. Notoginsenosides were methylated and ionized in a metastable helium gas stream, and was introduced then led into MS for the detection. Theis on-line system showed reasonable repeatability with the a relative standard deviations of 12.3\\% for the peak area. Three notoginsenosides, including i.e. notoginsenoside R1, ginsenoside Rb1 and ginsenoside Rg1, were simultaneously determined during the eluting process. The alteration of the chemical composition in the effluent was rapidly and accurately identified in 9 min, which agreed agreeing well with the off-line analysis determination output. Compared with UPLC method, The presented technique is was more sensitive and convenient compared to the traditional UPLC method. This studyThese results suggested that the surface flowing mode DART-MS could be used for has a good potential for the on-line process monitoring in the pharmaceutical industry.},\n\tnumber = {0},\n\tjournal = {Analytica Chimica Acta},\n\tauthor = {Zeng, Shanshan and Wang, Lu and Chen, Teng and Qu, Haibin},\n\tkeywords = {Direct analysis in real time mass spectrometry, Macroporous resin column chromatography, On-line monitoring, Panax notoginseng, Surface flowing mode sample holder},\n}\n\n\n\n
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\n Abstract A surface flowing mode sample holder was designed as an alternative sampling strategy for direct analysis in real time mass spectrometry (DART-MS). With the sample holder, the on-line coupling of macroporous resin column chromatography with DART-MS was explored and the then achieved through the sample holder. This new hyphenated system was employed to monitor the column chromatography elution process of Panax notoginseng's column chromatography. The effluent from macroporous resin column was first diluted and then mixed with a derivatization reagent on-line, and. After that, the mixture was then directly transferred into the ionization region of DART-MS by the sample holder. Notoginsenosides were methylated and ionized in a metastable helium gas stream, and was introduced then led into MS for the detection. Theis on-line system showed reasonable repeatability with the a relative standard deviations of 12.3% for the peak area. Three notoginsenosides, including i.e. notoginsenoside R1, ginsenoside Rb1 and ginsenoside Rg1, were simultaneously determined during the eluting process. The alteration of the chemical composition in the effluent was rapidly and accurately identified in 9 min, which agreed agreeing well with the off-line analysis determination output. Compared with UPLC method, The presented technique is was more sensitive and convenient compared to the traditional UPLC method. This studyThese results suggested that the surface flowing mode DART-MS could be used for has a good potential for the on-line process monitoring in the pharmaceutical industry.\n
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\n \n\n \n \n \n \n \n \n Zotero Quick Start Guide.\n \n \n \n \n\n\n \n Center for History; and Media, N.\n\n\n \n\n\n\n \n \n\n\n\n
\n\n\n\n \n \n \"ZoteroPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@misc{center_for_history_and_new_media_zotero_nodate,\n\ttitle = {Zotero {Quick} {Start} {Guide}},\n\turl = {http://zotero.org/support/quick_start_guide},\n\tauthor = {{Center for History and New Media}},\n}\n\n\n\n
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\n \n\n \n \n \n \n \n \n Edit Profile \\textbar LinkedIn.\n \n \n \n \n\n\n \n \n\n\n \n\n\n\n \n \n\n\n\n
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@misc{noauthor_edit_nodate,\n\ttitle = {Edit {Profile} {\\textbar} {LinkedIn}},\n\turl = {http://www.linkedin.com/profile/edit?showSuggestedEndorsements=true&showPendingEndorsementDialog=false&esl=0_1xcztTzAtksD5SJfzNL7xpjmNGJwzP40TO-p-toTO92UC7pg564BnUdtMm9SPQxFnFb5tiHa-pZ4v93443hroN&esl_ncrptd=t&trk=eml-skills_endorsements-btn-0-existing_pills&fromEmail=&akey=htFUw1J4Q9riTUezGMHUg_bbkOkjP8R1ks1&hkey=Hm-A&ut=2c865cNWvy0lQ1},\n\turldate = {2013-06-27},\n}\n\n\n\n\n\n\n\n
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@misc{noauthor_edit_nodate,\n\ttitle = {Edit {Profile} {\\textbar} {LinkedIn}},\n\turl = {http://www.linkedin.com/profile/edit?showSuggestedEndorsements=true&showPendingEndorsementDialog=false&esl=0_1xcztTzAtksD5SJfzNL7xpjmNGJwzP40TO-p-toTO92UC7pg564BnUdtMm9SPQxFnFb5tiHa-pZ4v93443hroN&esl_ncrptd=t&trk=eml-skills_endorsements-btn-0-existing_pills&fromEmail=&akey=htFUw1J4Q9riTUezGMHUg_bbkOkjP8R1ks1&hkey=Hm-A&ut=2c865cNWvy0lQ1},\n\turldate = {2013-06-27},\n}\n\n\n\n
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\n\n\n\n \n \n \"GooglePaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@misc{noauthor_google_nodate,\n\ttitle = {Google {Calendar}},\n\turl = {https://www.google.com/calendar/render?tab=mc&pli=1&gsessionid=UWwIlQFWWOWqn86xXk9ZUg},\n\turldate = {2012-06-08},\n}\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n \n bibliography - sci2market@gmail.com - Gmail.\n \n \n \n \n\n\n \n \n\n\n \n\n\n\n \n \n\n\n\n
\n\n\n\n \n \n \"bibliographyPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@misc{noauthor_bibliography_nodate,\n\ttitle = {bibliography - sci2market@gmail.com - {Gmail}},\n\turl = {https://mail.google.com/mail/?shva=1#search/paul.danis%40eastwoodsconsulting.com/137cc97065647128},\n\turldate = {2012-06-08},\n}\n\n\n\n\n\n\n\n
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\n \n\n \n \n \n \n \n \n bibliography - sci2market@gmail.com - Gmail.\n \n \n \n \n\n\n \n \n\n\n \n\n\n\n \n \n\n\n\n
\n\n\n\n \n \n \"bibliographyPaper\n  \n \n\n \n\n \n link\n  \n \n\n bibtex\n \n\n \n\n \n\n \n \n \n \n \n \n \n\n  \n \n \n\n\n\n
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@misc{noauthor_bibliography_nodate,\n\ttitle = {bibliography - sci2market@gmail.com - {Gmail}},\n\turl = {https://mail.google.com/mail/?shva=1#search/paul.danis%40eastwoodsconsulting.com/137cc97065647128},\n\turldate = {2012-06-08},\n}\n\n\n\n
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\n"}; document.write(bibbase_data.data);